26
 Energy =      -0.195464270558
 C     -0.411635      1.985581      0.919966    0.00  -0.000053008   0.000048133   0.000102461
 C     -1.077837      2.202618     -0.444667    0.00   0.000074153  -0.000004697   0.000032161
 C     -1.206810      0.878940     -1.207458    0.00   0.000173856  -0.000029065   0.000058249
 C     -2.009565     -0.162505     -0.402881    0.00   0.000102191  -0.000010036   0.000012218
 C     -1.369089     -0.314698      0.975158    0.00   0.000022333   0.000021659   0.000052543
 C     -1.187219      0.964378      1.761999    0.00  -0.000097315   0.000038596   0.000053711
 H     -1.692345      1.045160     -2.186796    0.00   0.000024134  -0.000006045   0.000000896
 H     -2.072664      2.669027     -0.314457    0.00   0.000005250  -0.000001931  -0.000006702
 H     -0.482119      2.920819     -1.041198    0.00   0.000010012  -0.000001243   0.000006008
 H      0.632394      1.631771      0.776188    0.00  -0.000003171   0.000007067   0.000017417
 H     -0.335278      2.943084      1.468384    0.00  -0.000011784   0.000004855   0.000007047
 H     -3.051180      0.218692     -0.249437    0.00   0.000008484   0.000000110  -0.000005574
 H     -2.173837      1.370002      2.059082    0.00  -0.000010845   0.000000821  -0.000004128
 H     -0.650093      0.756085      2.710056    0.00  -0.000015255   0.000006154   0.000008275
 H     -0.196614      0.474418     -1.431149    0.00   0.000016755  -0.000001876   0.000015290
 O     -1.007196     -1.386810      1.420926    0.00   0.000094891   0.000063171   0.000097527
 C     -2.071410     -1.499785     -1.136022    0.00   0.000137160  -0.000020537   0.000029962
 H     -2.567504     -2.265725     -0.525168    0.00   0.000010736  -0.000001523   0.000001922
 H     -2.617510     -1.416019     -2.081106    0.00   0.000013948  -0.000003067   0.000001120
 H     -1.065841     -1.881636     -1.363895    0.00   0.000012546  -0.000000949   0.000004921
 H      0.628513     -1.923594      0.439073    0.00  -0.000002675   0.000001164  -0.000011598
 O      1.294378     -1.848372     -0.337631    0.00   0.000018040  -0.000121634  -0.000049102
 O      1.737553     -0.511127     -0.090019    0.00  -0.000447576   0.000108430  -0.000867177
 C      2.997648     -0.408183     -0.710287    0.00   0.000087864  -0.000102877   0.000335807
 H      3.345526     -1.322210     -1.189140    0.00   0.000020583   0.000020448   0.000138115
 O      3.503633      0.681780     -0.625485    0.00  -0.000191308  -0.000015128  -0.000031367
26
 Energy =      -0.195428176887
 C     -0.410820      1.984844      0.918364    0.00  -0.000052110   0.000047004   0.000102824
 C     -1.078996      2.202695     -0.445161    0.00   0.000075117  -0.000005520   0.000032232
 C     -1.209524      0.879404     -1.208364    0.00   0.000175366  -0.000030258   0.000058551
 C     -2.011142     -0.162347     -0.403072    0.00   0.000101075  -0.000009594   0.000012196
 C     -1.369424     -0.315035      0.974349    0.00   0.000021728   0.000020903   0.000052269
 C     -1.185714      0.963786      1.761164    0.00  -0.000096781   0.000037580   0.000053996
 H     -1.696734      1.046260     -2.186782    0.00   0.000024459  -0.000006184   0.000000836
 H     -2.073503      2.669315     -0.313223    0.00   0.000005311  -0.000001995  -0.000006718
 H     -0.484015      2.921027     -1.042261    0.00   0.000010115  -0.000001322   0.000006017
 H      0.632818      1.630506      0.772979    0.00  -0.000003078   0.000006920   0.000017427
 H     -0.333119      2.942119      1.466999    0.00  -0.000011671   0.000004760   0.000007107
 H     -3.052668      0.218631     -0.248419    0.00   0.000008455   0.000000338  -0.000005559
 H     -2.171711      1.369802      2.059792    0.00  -0.000010798   0.000000784  -0.000004052
 H     -0.647337      0.754961      2.708411    0.00  -0.000015170   0.000006014   0.000008294
 H     -0.199872      0.474840     -1.434016    0.00   0.000016925  -0.000002084   0.000015623
 O     -1.008301     -1.387528      1.419797    0.00   0.000093782   0.000061519   0.000096033
 C     -2.073512     -1.499470     -1.136487    0.00   0.000133097  -0.000019872   0.000029791
 H     -2.569437     -2.265452     -0.525524    0.00   0.000010274  -0.000001386   0.000001910
 H     -2.620044     -1.415465     -2.081294    0.00   0.000013600  -0.000002903   0.000001113
 H     -1.068115     -1.881448     -1.364794    0.00   0.000012137  -0.000001063   0.000004892
 H      0.629348     -1.924184      0.440412    0.00  -0.000002566   0.000000947  -0.000011572
 O      1.294152     -1.846596     -0.336916    0.00   0.000022562  -0.000122832  -0.000046220
 O      1.743530     -0.512985     -0.080466    0.00  -0.000458311   0.000120403  -0.000867283
 C      2.995944     -0.406382     -0.715328    0.00   0.000095048  -0.000107375   0.000335068
 H      3.335604     -1.316019     -1.208236    0.00   0.000022803   0.000019046   0.000139175
 O      3.505718      0.681402     -0.625201    0.00  -0.000191370  -0.000013830  -0.000033950
26
 Energy =      -0.195391916151
 C     -0.410023      1.984127      0.916765    0.00  -0.000051315   0.000045991   0.000103050
 C     -1.080162      2.202783     -0.445655    0.00   0.000075768  -0.000006160   0.000032285
 C     -1.212245      0.879883     -1.209270    0.00   0.000176382  -0.000031202   0.000058743
 C     -2.012694     -0.162197     -0.403261    0.00   0.000099802  -0.000009066   0.000012192
 C     -1.369750     -0.315358      0.973548    0.00   0.000021201   0.000020225   0.000051900
 C     -1.184224      0.963211      1.760328    0.00  -0.000096222   0.000036627   0.000054211
 H     -1.701155      1.047377     -2.186752    0.00   0.000024710  -0.000006292   0.000000777
 H     -2.074348      2.669612     -0.311992    0.00   0.000005348  -0.000002042  -0.000006719
 H     -0.485919      2.921246     -1.043320    0.00   0.000010185  -0.000001383   0.000006020
 H      0.633226      1.629272      0.769785    0.00  -0.000002996   0.000006786   0.000017412
 H     -0.330990      2.941177      1.465611    0.00  -0.000011561   0.000004670   0.000007160
 H     -3.054144      0.218530     -0.247411    0.00   0.000008409   0.000000560  -0.000005524
 H     -2.169606      1.369610      2.060485    0.00  -0.000010747   0.000000748  -0.000003975
 H     -0.644609      0.753868      2.706773    0.00  -0.000015076   0.000005880   0.000008302
 H     -0.203142      0.475295     -1.436921    0.00   0.000017051  -0.000002264   0.000015909
 O     -1.009390     -1.388224      1.418691    0.00   0.000092977   0.000059996   0.000094273
 C     -2.075541     -1.499168     -1.136946    0.00   0.000128911  -0.000019096   0.000029596
 H     -2.571276     -2.265206     -0.525878    0.00   0.000009821  -0.000001247   0.000001902
 H     -2.622500     -1.414945     -2.081481    0.00   0.000013224  -0.000002734   0.000001114
 H     -1.070303     -1.881241     -1.365680    0.00   0.000011717  -0.000001157   0.000004843
 H      0.630157     -1.924734      0.441736    0.00  -0.000002463   0.000000678  -0.000011590
 O      1.293875     -1.844809     -0.336232    0.00   0.000027542  -0.000124558  -0.000043467
 O      1.749594     -0.514971     -0.070981    0.00  -0.000468302   0.000131765  -0.000865971
 C      2.994142     -0.404516     -0.720325    0.00   0.000102170  -0.000111879   0.000333797
 H      3.325391     -1.309572     -1.227195    0.00   0.000025008   0.000017647   0.000140058
 O      3.507791      0.681005     -0.624894    0.00  -0.000191544  -0.000012494  -0.000036296
26
 Energy =      -0.195355530197
 C     -0.409239      1.983427      0.915168    0.00  -0.000050630   0.000045092   0.000103160
 C     -1.081331      2.202879     -0.446147    0.00   0.000076141  -0.000006630   0.000032316
 C     -1.214969      0.880372     -1.210176    0.00   0.000176936  -0.000031910   0.000058831
 C     -2.014220     -0.162056     -0.403450    0.00   0.000098377  -0.000008457   0.000012213
 C     -1.370066     -0.315671      0.972757    0.00   0.000020748   0.000019634   0.000051456
 C     -1.182749      0.962653      1.759492    0.00  -0.000095667   0.000035756   0.000054357
 H     -1.705600      1.048506     -2.186707    0.00   0.000024890  -0.000006372   0.000000721
 H     -2.075196      2.669916     -0.310767    0.00   0.000005365  -0.000002071  -0.000006709
 H     -0.487826      2.921475     -1.044375    0.00   0.000010227  -0.000001430   0.000006016
 H      0.633621      1.628065      0.766607    0.00  -0.000002923   0.000006662   0.000017375
 H     -0.328887      2.940255      1.464221    0.00  -0.000011455   0.000004590   0.000007203
 H     -3.055605      0.218389     -0.246414    0.00   0.000008348   0.000000778  -0.000005471
 H     -2.167520      1.369427      2.061162    0.00  -0.000010696   0.000000710  -0.000003901
 H     -0.641907      0.752802      2.705142    0.00  -0.000014978   0.000005756   0.000008301
 H     -0.206421      0.475779     -1.439860    0.00   0.000017136  -0.000002416   0.000016150
 O     -1.010467     -1.388901      1.417611    0.00   0.000092466   0.000058617   0.000092269
 C     -2.077498     -1.498880     -1.137401    0.00   0.000124607  -0.000018217   0.000029392
 H     -2.573027     -2.264987     -0.526229    0.00   0.000009375  -0.000001105   0.000001900
 H     -2.624877     -1.414458     -2.081669    0.00   0.000012821  -0.000002559   0.000001122
 H     -1.072404     -1.881019     -1.366552    0.00   0.000011286  -0.000001232   0.000004776
 H      0.630941     -1.925237      0.443053    0.00  -0.000002365   0.000000360  -0.000011657
 O      1.293541     -1.843002     -0.335576    0.00   0.000032968  -0.000126818  -0.000040892
 O      1.755742     -0.517080     -0.061570    0.00  -0.000477540   0.000142476  -0.000863325
 C      2.992241     -0.402585     -0.725275    0.00   0.000109219  -0.000116366   0.000332024
 H      3.314884     -1.302869     -1.246008    0.00   0.000027200   0.000016256   0.000140770
 O      3.509855      0.680589     -0.624569    0.00  -0.000191853  -0.000011103  -0.000038397
26
 Energy =      -0.195319058089
 C     -0.408467      1.982742      0.913574    0.00  -0.000050062   0.000044307   0.000103165
 C     -1.082502      2.202981     -0.446639    0.00   0.000076269  -0.000006940   0.000032319
 C     -1.217692      0.880870     -1.211081    0.00   0.000177058  -0.000032406   0.000058823
 C     -2.015719     -0.161926     -0.403639    0.00   0.000096814  -0.000007767   0.000012258
 C     -1.370375     -0.315974      0.971974    0.00   0.000020354   0.000019141   0.000050947
 C     -1.181284      0.962108      1.758657    0.00  -0.000095153   0.000034976   0.000054446
 H     -1.710062      1.049646     -2.186649    0.00   0.000025005  -0.000006426   0.000000667
 H     -2.076044      2.670223     -0.309548    0.00   0.000005364  -0.000002082  -0.000006690
 H     -0.489733      2.921711     -1.045426    0.00   0.000010248  -0.000001464   0.000006007
 H      0.634005      1.626882      0.763445    0.00  -0.000002863   0.000006549   0.000017324
 H     -0.326809      2.939351      1.462827    0.00  -0.000011356   0.000004517   0.000007239
 H     -3.057051      0.218209     -0.245431    0.00   0.000008273   0.000000992  -0.000005401
 H     -2.165450      1.369251      2.061825    0.00  -0.000010647   0.000000676  -0.000003831
 H     -0.639228      0.751760      2.703517    0.00  -0.000014882   0.000005644   0.000008293
 H     -0.209703      0.476286     -1.442826    0.00   0.000017181  -0.000002542   0.000016347
 O     -1.011538     -1.389562      1.416558    0.00   0.000092255   0.000057401   0.000090056
 C     -2.079382     -1.498606     -1.137852    0.00   0.000120188  -0.000017247   0.000029199
 H     -2.574692     -2.264794     -0.526579    0.00   0.000008936  -0.000000962   0.000001905
 H     -2.627173     -1.414005     -2.081859    0.00   0.000012392  -0.000002379   0.000001141
 H     -1.074420     -1.880787     -1.367409    0.00   0.000010845  -0.000001290   0.000004691
 H      0.631703     -1.925687      0.444373    0.00  -0.000002275  -0.000000004  -0.000011778
 O      1.293146     -1.841166     -0.334945    0.00   0.000038841  -0.000129625  -0.000038543
 O      1.761972     -0.519304     -0.052237    0.00  -0.000486032   0.000152512  -0.000859442
 C      2.990241     -0.400586     -0.730176    0.00   0.000116183  -0.000120817   0.000329777
 H      3.304081     -1.295909     -1.264665    0.00   0.000029376   0.000014876   0.000141320
 O      3.511913      0.680152     -0.624227    0.00  -0.000192312  -0.000009639  -0.000040237
26
 Energy =      -0.195282535591
 C     -0.407704      1.982068      0.911984    0.00  -0.000049616   0.000043638   0.000103087
 C     -1.083671      2.203086     -0.447130    0.00   0.000076189  -0.000007103   0.000032290
 C     -1.220410      0.881373     -1.211984    0.00   0.000176795  -0.000032707   0.000058729
 C     -2.017191     -0.161806     -0.403830    0.00   0.000095124  -0.000006999   0.000012335
 C     -1.370679     -0.316271      0.971201    0.00   0.000020009   0.000018749   0.000050390
 C     -1.179830      0.961576      1.757822    0.00  -0.000094717   0.000034310   0.000054486
 H     -1.714533      1.050791     -2.186579    0.00   0.000025058  -0.000006456   0.000000617
 H     -2.076890      2.670531     -0.308335    0.00   0.000005349  -0.000002075  -0.000006666
 H     -0.491640      2.921951     -1.046474    0.00   0.000010249  -0.000001488   0.000005992
 H      0.634380      1.625719      0.760298    0.00  -0.000002815   0.000006447   0.000017260
 H     -0.324751      2.938461      1.461431    0.00  -0.000011263   0.000004453   0.000007267
 H     -3.058481      0.217991     -0.244463    0.00   0.000008186   0.000001203  -0.000005315
 H     -2.163393      1.369083      2.062476    0.00  -0.000010606   0.000000644  -0.000003768
 H     -0.636569      0.750738      2.701899    0.00  -0.000014792   0.000005546   0.000008280
 H     -0.212984      0.476812     -1.445814    0.00   0.000017189  -0.000002648   0.000016502
 O     -1.012607     -1.390209      1.415533    0.00   0.000092334   0.000056364   0.000087657
 C     -2.081196     -1.498349     -1.138300    0.00   0.000115657  -0.000016194   0.000029031
 H     -2.576275     -2.264627     -0.526931    0.00   0.000008504  -0.000000817   0.000001921
 H     -2.629386     -1.413586     -2.082055    0.00   0.000011937  -0.000002198   0.000001170
 H     -1.076352     -1.880545     -1.368247    0.00   0.000010393  -0.000001331   0.000004591
 H      0.632447     -1.926076      0.445707    0.00  -0.000002197  -0.000000410  -0.000011959
 O      1.292683     -1.839294     -0.334334    0.00   0.000045159  -0.000132985  -0.000036468
 O      1.768279     -0.521637     -0.042986    0.00  -0.000493784   0.000161847  -0.000854426
 C      2.988143     -0.398519     -0.735027    0.00   0.000123063  -0.000125222   0.000327086
 H      3.292982     -1.288692     -1.283157    0.00   0.000031539   0.000013510   0.000141716
 O      3.513970      0.679694     -0.623871    0.00  -0.000192945  -0.000008077  -0.000041803
26
 Energy =      -0.195245994754
 C     -0.406947      1.981404      0.910395    0.00  -0.000049302   0.000043091   0.000102943
 C     -1.084838      2.203193     -0.447620    0.00   0.000075933  -0.000007133   0.000032224
 C     -1.223120      0.881878     -1.212886    0.00   0.000176185  -0.000032839   0.000058563
 C     -2.018635     -0.161699     -0.404022    0.00   0.000093316  -0.000006153   0.000012447
 C     -1.370977     -0.316562      0.970438    0.00   0.000019699   0.000018466   0.000049797
 C     -1.178381      0.961053      1.756987    0.00  -0.000094390   0.000033766   0.000054486
 H     -1.719006      1.051938     -2.186497    0.00   0.000025059  -0.000006465   0.000000568
 H     -2.077733      2.670837     -0.307126    0.00   0.000005324  -0.000002052  -0.000006642
 H     -0.493545      2.922196     -1.047519    0.00   0.000010238  -0.000001505   0.000005973
 H      0.634750      1.624575      0.757165    0.00  -0.000002779   0.000006355   0.000017187
 H     -0.322710      2.937584      1.460032    0.00  -0.000011179   0.000004398   0.000007289
 H     -3.059895      0.217734     -0.243513    0.00   0.000008087   0.000001412  -0.000005213
 H     -2.161345      1.368921      2.063116    0.00  -0.000010574   0.000000620  -0.000003714
 H     -0.633926      0.749734      2.700285    0.00  -0.000014715   0.000005463   0.000008265
 H     -0.216262      0.477355     -1.448821    0.00   0.000017164  -0.000002735   0.000016618
 O     -1.013678     -1.390844      1.414537    0.00   0.000092703   0.000055525   0.000085108
 C     -2.082938     -1.498108     -1.138745    0.00   0.000111015  -0.000015064   0.000028903
 H     -2.577779     -2.264487     -0.527286    0.00   0.000008078  -0.000000670   0.000001947
 H     -2.631513     -1.413200     -2.082258    0.00   0.000011458  -0.000002014   0.000001212
 H     -1.078199     -1.880298     -1.369065    0.00   0.000009930  -0.000001359   0.000004479
 H      0.633175     -1.926400      0.447065    0.00  -0.000002130  -0.000000855  -0.000012205
 O      1.292148     -1.837378     -0.333741    0.00   0.000051921  -0.000136912  -0.000034715
 O      1.774662     -0.524073     -0.033821    0.00  -0.000500818   0.000170463  -0.000848385
 C      2.985946     -0.396383     -0.739826    0.00   0.000129850  -0.000129555   0.000323983
 H      3.281585     -1.281220     -1.301473    0.00   0.000033691   0.000012156   0.000141967
 O      3.516030      0.679212     -0.623505    0.00  -0.000193764  -0.000006404  -0.000043084
26
 Energy =      -0.195209463558
 C     -0.406193      1.980747      0.908809    0.00  -0.000049130   0.000042667   0.000102750
 C     -1.085999      2.203299     -0.448109    0.00   0.000075540  -0.000007046   0.000032117
 C     -1.225820      0.882385     -1.213785    0.00   0.000175275  -0.000032822   0.000058332
 C     -2.020051     -0.161605     -0.404216    0.00   0.000091403  -0.000005234   0.000012597
 C     -1.371270     -0.316850      0.969683    0.00   0.000019415   0.000018298   0.000049191
 C     -1.176937      0.960538      1.756152    0.00  -0.000094210   0.000033364   0.000054459
 H     -1.723477      1.053086     -2.186405    0.00   0.000025011  -0.000006457   0.000000523
 H     -2.078572      2.671138     -0.305922    0.00   0.000005291  -0.000002012  -0.000006620
 H     -0.495446      2.922442     -1.048560    0.00   0.000010219  -0.000001516   0.000005948
 H      0.635116      1.623446      0.754045    0.00  -0.000002757   0.000006274   0.000017114
 H     -0.320683      2.936716      1.458630    0.00  -0.000011107   0.000004355   0.000007304
 H     -3.061290      0.217440     -0.242582    0.00   0.000007978   0.000001623  -0.000005101
 H     -2.159302      1.368763      2.063747    0.00  -0.000010557   0.000000602  -0.000003670
 H     -0.631295      0.748743      2.698675    0.00  -0.000014654   0.000005399   0.000008248
 H     -0.219531      0.477911     -1.451841    0.00   0.000017108  -0.000002805   0.000016702
 O     -1.014754     -1.391471      1.413571    0.00   0.000093349   0.000054899   0.000082435
 C     -2.084608     -1.497886     -1.139188    0.00   0.000106263  -0.000013870   0.000028838
 H     -2.579207     -2.264375     -0.527648    0.00   0.000007657  -0.000000521   0.000001987
 H     -2.633551     -1.412848     -2.082470    0.00   0.000010953  -0.000001829   0.000001266
 H     -1.079960     -1.880047     -1.369862    0.00   0.000009457  -0.000001374   0.000004355
 H      0.633890     -1.926651      0.448459    0.00  -0.000002078  -0.000001337  -0.000012522
 O      1.291535     -1.835409     -0.333159    0.00   0.000059129  -0.000141415  -0.000033330
 O      1.781115     -0.526605     -0.024746    0.00  -0.000507154   0.000178348  -0.000841438
 C      2.983652     -0.394177     -0.744569    0.00   0.000136553  -0.000133812   0.000320500
 H      3.269889     -1.273494     -1.319602    0.00   0.000035835   0.000010815   0.000142079
 O      3.518095      0.678704     -0.623131    0.00  -0.000194789  -0.000004593  -0.000044063
26
 Energy =      -0.195172965589
 C     -0.405441      1.980095      0.907225    0.00  -0.000049107   0.000042369   0.000102532
 C     -1.087155      2.203404     -0.448597    0.00   0.000075040  -0.000006851   0.000031963
 C     -1.228506      0.882891     -1.214681    0.00   0.000174113  -0.000032684   0.000058051
 C     -2.021438     -0.161526     -0.404413    0.00   0.000089395  -0.000004243   0.000012790
 C     -1.371559     -0.317137      0.968938    0.00   0.000019138   0.000018258   0.000048583
 C     -1.175492      0.960027      1.755316    0.00  -0.000094211   0.000033112   0.000054411
 H     -1.727941      1.054232     -2.186303    0.00   0.000024924  -0.000006432   0.000000480
 H     -2.079405      2.671431     -0.304720    0.00   0.000005254  -0.000001955  -0.000006604
 H     -0.497346      2.922691     -1.049597    0.00   0.000010196  -0.000001524   0.000005918
 H      0.635481      1.622329      0.750936    0.00  -0.000002749   0.000006203   0.000017041
 H     -0.318665      2.935856      1.457225    0.00  -0.000011048   0.000004322   0.000007315
 H     -3.062668      0.217107     -0.241672    0.00   0.000007860   0.000001834  -0.000004977
 H     -2.157260      1.368607      2.064372    0.00  -0.000010556   0.000000593  -0.000003639
 H     -0.628670      0.747761      2.697067    0.00  -0.000014618   0.000005355   0.000008233
 H     -0.222789      0.478478     -1.454872    0.00   0.000017027  -0.000002862   0.000016754
 O     -1.015841     -1.392093      1.412636    0.00   0.000094265   0.000054500   0.000079676
 C     -2.086206     -1.497682     -1.139632    0.00   0.000101399  -0.000012616   0.000028847
 H     -2.580559     -2.264289     -0.528018    0.00   0.000007241  -0.000000370   0.000002043
 H     -2.635497     -1.412530     -2.082695    0.00   0.000010423  -0.000001645   0.000001337
 H     -1.081636     -1.879794     -1.370636    0.00   0.000008972  -0.000001379   0.000004222
 H      0.634597     -1.926825      0.449900    0.00  -0.000002040  -0.000001852  -0.000012915
 O      1.290839     -1.833381     -0.332585    0.00   0.000066789  -0.000146510  -0.000032366
 O      1.787636     -0.529225     -0.015765    0.00  -0.000512825   0.000185495  -0.000833695
 C      2.981259     -0.391900     -0.749254    0.00   0.000143177  -0.000137980   0.000316668
 H      3.257892     -1.265516     -1.337532    0.00   0.000037976   0.000009485   0.000142061
 O      3.520170      0.678169     -0.622754    0.00  -0.000196035  -0.000002621  -0.000044728
26
 Energy =      -0.195136519799
 C     -0.404686      1.979446      0.905642    0.00  -0.000049243   0.000042197   0.000102305
 C     -1.088304      2.203505     -0.449083    0.00   0.000074468  -0.000006566   0.000031757
 C     -1.231177      0.883395     -1.215574    0.00   0.000172745  -0.000032451   0.000057732
 C     -2.022795     -0.161462     -0.404614    0.00   0.000087299  -0.000003178   0.000013030
 C     -1.371844     -0.317425      0.968200    0.00   0.000018857   0.000018344   0.000047986
 C     -1.174044      0.959517      1.754481    0.00  -0.000094431   0.000033034   0.000054361
 H     -1.732392      1.055374     -2.186192    0.00   0.000024804  -0.000006396   0.000000439
 H     -2.080233      2.671712     -0.303518    0.00   0.000005215  -0.000001882  -0.000006596
 H     -0.499244      2.922941     -1.050629    0.00   0.000010175  -0.000001532   0.000005885
 H      0.635847      1.621223      0.747835    0.00  -0.000002755   0.000006144   0.000016976
 H     -0.316654      2.934999      1.455817    0.00  -0.000011007   0.000004302   0.000007320
 H     -3.064026      0.216735     -0.240785    0.00   0.000007736   0.000002048  -0.000004844
 H     -2.155214      1.368452      2.064993    0.00  -0.000010575   0.000000595  -0.000003624
 H     -0.626045      0.746783      2.695459    0.00  -0.000014608   0.000005332   0.000008223
 H     -0.226032      0.479055     -1.457909    0.00   0.000016923  -0.000002909   0.000016782
 O     -1.016942     -1.392712      1.411731    0.00   0.000095438   0.000054347   0.000076860
 C     -2.087730     -1.497497     -1.140077    0.00   0.000096424  -0.000011315   0.000028957
 H     -2.581837     -2.264232     -0.528400    0.00   0.000006827  -0.000000216   0.000002115
 H     -2.637348     -1.412245     -2.082935    0.00   0.000009869  -0.000001461   0.000001422
 H     -1.083223     -1.879541     -1.371386    0.00   0.000008474  -0.000001374   0.000004081
 H      0.635299     -1.926917      0.451403    0.00  -0.000002019  -0.000002396  -0.000013390
 O      1.290053     -1.831285     -0.332012    0.00   0.000074909  -0.000152214  -0.000031871
 O      1.794218     -0.531927     -0.006881    0.00  -0.000517862   0.000191901  -0.000825278
 C      2.978768     -0.389553     -0.753880    0.00   0.000149730  -0.000142048   0.000312518
 H      3.245596     -1.257289     -1.355252    0.00   0.000040119   0.000008163   0.000141917
 O      3.522257      0.677604     -0.622376    0.00  -0.000197510  -0.000000470  -0.000045063
26
 Energy =      -0.195100140272
 C     -0.403927      1.978797      0.904059    0.00  -0.000049548   0.000042161   0.000102090
 C     -1.089446      2.203601     -0.449566    0.00   0.000073852  -0.000006202   0.000031495
 C     -1.233830      0.883895     -1.216465    0.00   0.000171221  -0.000032143   0.000057385
 C     -2.024122     -0.161415     -0.404819    0.00   0.000085124  -0.000002045   0.000013322
 C     -1.372125     -0.317715      0.967471    0.00   0.000018556   0.000018569   0.000047428
 C     -1.172588      0.959007      1.753644    0.00  -0.000094902   0.000033137   0.000054314
 H     -1.736829      1.056511     -2.186073    0.00   0.000024659  -0.000006353   0.000000400
 H     -2.081056      2.671980     -0.302315    0.00   0.000005177  -0.000001795  -0.000006603
 H     -0.501142      2.923194     -1.051656    0.00   0.000010159  -0.000001542   0.000005847
 H      0.636218      1.620124      0.744740    0.00  -0.000002777   0.000006096   0.000016921
 H     -0.314645      2.934145      1.454406    0.00  -0.000010982   0.000004294   0.000007322
 H     -3.065364      0.216322     -0.239920    0.00   0.000007605   0.000002269  -0.000004705
 H     -2.153157      1.368295      2.065614    0.00  -0.000010619   0.000000610  -0.000003623
 H     -0.623414      0.745806      2.693850    0.00  -0.000014632   0.000005335   0.000008218
 H     -0.229259      0.479639     -1.460951    0.00   0.000016800  -0.000002950   0.000016789
 O     -1.018059     -1.393332      1.410857    0.00   0.000096852   0.000054456   0.000074022
 C     -2.089180     -1.497333     -1.140526    0.00   0.000091329  -0.000009971   0.000029177
 H     -2.583042     -2.264202     -0.528798    0.00   0.000006417  -0.000000059   0.000002207
 H     -2.639098     -1.411993     -2.083194    0.00   0.000009291  -0.000001280   0.000001526
 H     -1.084722     -1.879289     -1.372110    0.00   0.000007964  -0.000001362   0.000003934
 H      0.636001     -1.926923      0.452979    0.00  -0.000002014  -0.000002966  -0.000013953
 O      1.289172     -1.829112     -0.331434    0.00   0.000083499  -0.000158544  -0.000031894
 O      1.800858     -0.534702      0.001901    0.00  -0.000522304   0.000197563  -0.000816302
 C      2.976179     -0.387136     -0.758442    0.00   0.000156225  -0.000146011   0.000308079
 H      3.233000     -1.248815     -1.372750    0.00   0.000042270   0.000006845   0.000141652
 O      3.524361      0.677007     -0.622001    0.00  -0.000199223   0.000001892  -0.000045050
26
 Energy =      -0.195063836082
 C     -0.403160      1.978146      0.902476    0.00  -0.000050030   0.000042257   0.000101905
 C     -1.090581      2.203691     -0.450045    0.00   0.000073224  -0.000005775   0.000031173
 C     -1.236465      0.884392     -1.217352    0.00   0.000169585  -0.000031790   0.000057027
 C     -2.025418     -0.161386     -0.405031    0.00   0.000082881  -0.000000845   0.000013670
 C     -1.372402     -0.318012      0.966749    0.00   0.000018212   0.000018940   0.000046919
 C     -1.171119      0.958492      1.752806    0.00  -0.000095658   0.000033440   0.000054284
 H     -1.741247      1.057642     -2.185946    0.00   0.000024495  -0.000006304   0.000000363
 H     -2.081873      2.672231     -0.301106    0.00   0.000005143  -0.000001692  -0.000006626
 H     -0.503042      2.923448     -1.052677    0.00   0.000010154  -0.000001556   0.000005805
 H      0.636595      1.619031      0.741647    0.00  -0.000002815   0.000006059   0.000016883
 H     -0.312634      2.933289      1.452993    0.00  -0.000010978   0.000004301   0.000007320
 H     -3.066681      0.215868     -0.239081    0.00   0.000007469   0.000002496  -0.000004559
 H     -2.151086      1.368134      2.066237    0.00  -0.000010690   0.000000639  -0.000003641
 H     -0.620770      0.744824      2.692238    0.00  -0.000014695   0.000005363   0.000008222
 H     -0.232467      0.480232     -1.463994    0.00   0.000016663  -0.000002987   0.000016780
 O     -1.019197     -1.393956      1.410014    0.00   0.000098489   0.000054836   0.000071197
 C     -2.090553     -1.497189     -1.140979    0.00   0.000086116  -0.000008594   0.000029530
 H     -2.584174     -2.264202     -0.529214    0.00   0.000006008   0.000000100   0.000002320
 H     -2.640744     -1.411773     -2.083475    0.00   0.000008687  -0.000001102   0.000001649
 H     -1.086128     -1.879039     -1.372809    0.00   0.000007440  -0.000001345   0.000003784
 H      0.636707     -1.926840      0.454645    0.00  -0.000002030  -0.000003557  -0.000014613
 O      1.288189     -1.826856     -0.330845    0.00   0.000092578  -0.000165522  -0.000032486
 O      1.807550     -0.537542      0.010578    0.00  -0.000526185   0.000202493  -0.000806881
 C      2.973493     -0.384649     -0.762938    0.00   0.000162681  -0.000149863   0.000303379
 H      3.220105     -1.240100     -1.390010    0.00   0.000044436   0.000005527   0.000141270
 O      3.526484      0.676375     -0.621633    0.00  -0.000201183   0.000004481  -0.000044675
26
 Energy =      -0.195027611143
 C     -0.402383      1.977491      0.900892    0.00  -0.000050698   0.000042494   0.000101766
 C     -1.091708      2.203774     -0.450520    0.00   0.000072612  -0.000005295   0.000030782
 C     -1.239079      0.884883     -1.218235    0.00   0.000167885  -0.000031418   0.000056667
 C     -2.026681     -0.161376     -0.405248    0.00   0.000080575   0.000000427   0.000014079
 C     -1.372673     -0.318316      0.966032    0.00   0.000017815   0.000019462   0.000046478
 C     -1.169633      0.957970      1.751967    0.00  -0.000096737   0.000033956   0.000054285
 H     -1.745644      1.058766     -2.185812    0.00   0.000024320  -0.000006254   0.000000327
 H     -2.082686      2.672462     -0.299889    0.00   0.000005116  -0.000001576  -0.000006668
 H     -0.504946      2.923706     -1.053692    0.00   0.000010162  -0.000001576   0.000005759
 H      0.636981      1.617943      0.738553    0.00  -0.000002869   0.000006032   0.000016865
 H     -0.310618      2.932429      1.451577    0.00  -0.000010995   0.000004322   0.000007317
 H     -3.067977      0.215370     -0.238266    0.00   0.000007330   0.000002731  -0.000004410
 H     -2.148992      1.367964      2.066866    0.00  -0.000010791   0.000000685  -0.000003676
 H     -0.618106      0.743832      2.690619    0.00  -0.000014799   0.000005420   0.000008235
 H     -0.235654      0.480831     -1.467038    0.00   0.000016515  -0.000003023   0.000016761
 O     -1.020358     -1.394587      1.409201    0.00   0.000100322   0.000055507   0.000068421
 C     -2.091847     -1.497066     -1.141441    0.00   0.000080778  -0.000007196   0.000030033
 H     -2.585234     -2.264232     -0.529655    0.00   0.000005600   0.000000263   0.000002455
 H     -2.642281     -1.411585     -2.083783    0.00   0.000008059  -0.000000928   0.000001793
 H     -1.087440     -1.878793     -1.373482    0.00   0.000006902  -0.000001324   0.000003632
 H      0.637422     -1.926664      0.456414    0.00  -0.000002063  -0.000004165  -0.000015373
 O      1.287099     -1.824507     -0.330237    0.00   0.000102157  -0.000173169  -0.000033698
 O      1.814287     -0.540439      0.019146    0.00  -0.000529547   0.000206692  -0.000797130
 C      2.970709     -0.382094     -0.767364    0.00   0.000169116  -0.000153597   0.000298442
 H      3.206912     -1.231149     -1.407020    0.00   0.000046626   0.000004202   0.000140775
 O      3.528630      0.675705     -0.621278    0.00  -0.000203388   0.000007328  -0.000043918
26
 Energy =      -0.194991464115
 C     -0.401592      1.976830      0.899306    0.00  -0.000051562   0.000042873   0.000101697
 C     -1.092829      2.203850     -0.450989    0.00   0.000072043  -0.000004779   0.000030324
 C     -1.241673      0.885370     -1.219115    0.00   0.000166161  -0.000031044   0.000056320
 C     -2.027911     -0.161386     -0.405473    0.00   0.000078200   0.000001761   0.000014555
 C     -1.372938     -0.318630      0.965321    0.00   0.000017336   0.000020143   0.000046125
 C     -1.168125      0.957437      1.751126    0.00  -0.000098156   0.000034702   0.000054321
 H     -1.750020      1.059884     -2.185671    0.00   0.000024142  -0.000006205   0.000000292
 H     -2.083495      2.672671     -0.298660    0.00   0.000005096  -0.000001447  -0.000006734
 H     -0.506857      2.923968     -1.054699    0.00   0.000010187  -0.000001604   0.000005709
 H      0.637380      1.616856      0.735454    0.00  -0.000002939   0.000006016   0.000016869
 H     -0.308591      2.931562      1.450159    0.00  -0.000011036   0.000004359   0.000007312
 H     -3.069250      0.214827     -0.237478    0.00   0.000007187   0.000002976  -0.000004260
 H     -2.146871      1.367784      2.067504    0.00  -0.000010927   0.000000748  -0.000003734
 H     -0.615413      0.742825      2.688991    0.00  -0.000014953   0.000005507   0.000008263
 H     -0.238819      0.481439     -1.470080    0.00   0.000016361  -0.000003063   0.000016736
 O     -1.021543     -1.395228      1.408419    0.00   0.000102327   0.000056478   0.000065728
 C     -2.093060     -1.496965     -1.141912    0.00   0.000075316  -0.000005776   0.000030705
 H     -2.586220     -2.264292     -0.530123    0.00   0.000005192   0.000000429   0.000002617
 H     -2.643704     -1.411429     -2.084120    0.00   0.000007405  -0.000000760   0.000001959
 H     -1.088654     -1.878550     -1.374127    0.00   0.000006348  -0.000001300   0.000003479
 H      0.638151     -1.926393      0.458302    0.00  -0.000002118  -0.000004787  -0.000016244
 O      1.285894     -1.822059     -0.329602    0.00   0.000112261  -0.000181508  -0.000035583
 O      1.821064     -0.543385      0.027603    0.00  -0.000532429   0.000210175  -0.000787152
 C      2.967829     -0.379472     -0.771716    0.00   0.000175553  -0.000157217   0.000293297
 H      3.193425     -1.221969     -1.423764    0.00   0.000048843   0.000002866   0.000140164
 O      3.530800      0.674995     -0.620938    0.00  -0.000205840   0.000010457  -0.000042764
26
 Energy =      -0.194955388315
 C     -0.400785      1.976161      0.897718    0.00  -0.000052625   0.000043388   0.000101705
 C     -1.093943      2.203919     -0.451452    0.00   0.000071540  -0.000004233   0.000029789
 C     -1.244246      0.885852     -1.219992    0.00   0.000164452  -0.000030696   0.000055992
 C     -2.029105     -0.161417     -0.405707    0.00   0.000075779   0.000003165   0.000015098
 C     -1.373195     -0.318957      0.964614    0.00   0.000016761   0.000020988   0.000045877
 C     -1.166589      0.956889      1.750282    0.00  -0.000099967   0.000035690   0.000054415
 H     -1.754372      1.060995     -2.185524    0.00   0.000023965  -0.000006162   0.000000257
 H     -2.084302      2.672855     -0.297413    0.00   0.000005086  -0.000001306  -0.000006825
 H     -0.508779      2.924236     -1.055697    0.00   0.000010232  -0.000001643   0.000005656
 H      0.637792      1.615770      0.732345    0.00  -0.000003027   0.000006012   0.000016902
 H     -0.306551      2.930685      1.448739    0.00  -0.000011102   0.000004411   0.000007306
 H     -3.070500      0.214236     -0.236716    0.00   0.000007043   0.000003232  -0.000004109
 H     -2.144715      1.367588      2.068155    0.00  -0.000011098   0.000000832  -0.000003812
 H     -0.612683      0.741797      2.687352    0.00  -0.000015156   0.000005625   0.000008305
 H     -0.241959      0.482055     -1.473119    0.00   0.000016202  -0.000003108   0.000016711
 O     -1.022755     -1.395883      1.407665    0.00   0.000104467   0.000057764   0.000063161
 C     -2.094189     -1.496886     -1.142397    0.00   0.000069721  -0.000004349   0.000031560
 H     -2.587134     -2.264383     -0.530625    0.00   0.000004783   0.000000598   0.000002805
 H     -2.645007     -1.411302     -2.084492    0.00   0.000006727  -0.000000598   0.000002150
 H     -1.089767     -1.878312     -1.374746    0.00   0.000005779  -0.000001274   0.000003328
 H      0.638902     -1.926025      0.460325    0.00  -0.000002193  -0.000005418  -0.000017231
 O      1.284567     -1.819502     -0.328932    0.00   0.000122912  -0.000190566  -0.000038190
 O      1.827872     -0.546369      0.035945    0.00  -0.000534867   0.000212953  -0.000777053
 C      2.964853     -0.376785     -0.775991    0.00   0.000182019  -0.000160712   0.000287960
 H      3.179646     -1.212568     -1.440226    0.00   0.000051099   0.000001510   0.000139438
 O      3.532998      0.674240     -0.620620    0.00  -0.000208533   0.000013894  -0.000041194
26
 Energy =      -0.194919371733
 C     -0.399958      1.975481      0.896125    0.00  -0.000053893   0.000044045   0.000101808
 C     -1.095052      2.203978     -0.451905    0.00   0.000071127  -0.000003674   0.000029177
 C     -1.246796      0.886329     -1.220866    0.00   0.000162794  -0.000030396   0.000055696
 C     -2.030264     -0.161470     -0.405950    0.00   0.000073303   0.000004632   0.000015719
 C     -1.373443     -0.319299      0.963909    0.00   0.000016064   0.000022007   0.000045749
 C     -1.165019      0.956323      1.749435    0.00  -0.000102187   0.000036932   0.000054570
 H     -1.758700      1.062100     -2.185369    0.00   0.000023798  -0.000006125   0.000000222
 H     -2.085108      2.673011     -0.296146    0.00   0.000005089  -0.000001151  -0.000006944
 H     -0.510715      2.924512     -1.056684    0.00   0.000010302  -0.000001694   0.000005597
 H      0.638222      1.614683      0.729222    0.00  -0.000003132   0.000006016   0.000016966
 H     -0.304492      2.929796      1.447317    0.00  -0.000011194   0.000004480   0.000007299
 H     -3.071725      0.213596     -0.235982    0.00   0.000006896   0.000003501  -0.000003958
 H     -2.142517      1.367373      2.068823    0.00  -0.000011309   0.000000938  -0.000003912
 H     -0.609908      0.740743      2.685699    0.00  -0.000015416   0.000005779   0.000008363
 H     -0.245075      0.482681     -1.476156    0.00   0.000016043  -0.000003161   0.000016688
 O     -1.023995     -1.396556      1.406939    0.00   0.000106703   0.000059376   0.000060758
 C     -2.095232     -1.496829     -1.142897    0.00   0.000063991  -0.000002919   0.000032619
 H     -2.587973     -2.264506     -0.531164    0.00   0.000004373   0.000000771   0.000003022
 H     -2.646184     -1.411205     -2.084903    0.00   0.000006024  -0.000000443   0.000002364
 H     -1.090776     -1.878078     -1.375337    0.00   0.000005194  -0.000001248   0.000003181
 H      0.639678     -1.925559      0.462500    0.00  -0.000002288  -0.000006052  -0.000018340
 O      1.283114     -1.816830     -0.328219    0.00   0.000134132  -0.000200363  -0.000041573
 O      1.834704     -0.549383      0.044169    0.00  -0.000536897   0.000215042  -0.000766930
 C      2.961782     -0.374035     -0.780185    0.00   0.000188537  -0.000164090   0.000282453
 H      3.165581     -1.202954     -1.456391    0.00   0.000053398   0.000000128   0.000138594
 O      3.535226      0.673437     -0.620327    0.00  -0.000211454   0.000017669  -0.000039190
26
 Energy =      -0.194883396944
 C     -0.399109      1.974789      0.894528    0.00  -0.000055371   0.000044842   0.000102020
 C     -1.096157      2.204029     -0.452350    0.00   0.000070821  -0.000003111   0.000028482
 C     -1.249324      0.886803     -1.221737    0.00   0.000161222  -0.000030160   0.000055444
 C     -2.031385     -0.161547     -0.406203    0.00   0.000070769   0.000006162   0.000016420
 C     -1.373679     -0.319660      0.963205    0.00   0.000015221   0.000023208   0.000045765
 C     -1.163409      0.955735      1.748584    0.00  -0.000104838   0.000038445   0.000054800
 H     -1.763004      1.063200     -2.185208    0.00   0.000023644  -0.000006099   0.000000186
 H     -2.085913      2.673137     -0.294852    0.00   0.000005106  -0.000000986  -0.000007094
 H     -0.512669      2.924797     -1.057660    0.00   0.000010398  -0.000001758   0.000005536
 H      0.638672      1.613594      0.726081    0.00  -0.000003255   0.000006029   0.000017063
 H     -0.302412      2.928891      1.445894    0.00  -0.000011312   0.000004566   0.000007292
 H     -3.072924      0.212903     -0.235274    0.00   0.000006749   0.000003784  -0.000003812
 H     -2.140270      1.367135      2.069510    0.00  -0.000011560   0.000001068  -0.000004035
 H     -0.607078      0.739656      2.684028    0.00  -0.000015736   0.000005965   0.000008440
 H     -0.248165      0.483319     -1.479190    0.00   0.000015888  -0.000003225   0.000016673
 O     -1.025262     -1.397250      1.406239    0.00   0.000108989   0.000061317   0.000058556
 C     -2.096186     -1.496794     -1.143415    0.00   0.000058129  -0.000001496   0.000033895
 H     -2.588737     -2.264661     -0.531747    0.00   0.000003960   0.000000948   0.000003269
 H     -2.647230     -1.411135     -2.085356    0.00   0.000005296  -0.000000297   0.000002607
 H     -1.091678     -1.877848     -1.375903    0.00   0.000004591  -0.000001224   0.000003037
 H      0.640487     -1.924996      0.464844    0.00  -0.000002406  -0.000006682  -0.000019582
 O      1.281525     -1.814035     -0.327452    0.00   0.000145950  -0.000210930  -0.000045778
 O      1.841551     -0.552416      0.052272    0.00  -0.000538554   0.000216465  -0.000756870
 C      2.958616     -0.371226     -0.784294    0.00   0.000195141  -0.000167344   0.000276789
 H      3.151235     -1.193138     -1.472240    0.00   0.000055747  -0.000001288   0.000137628
 O      3.537484      0.672584     -0.620067    0.00  -0.000214588   0.000021803  -0.000036733
26
 Energy =      -0.194847441209
 C     -0.398235      1.974083      0.892926    0.00  -0.000057059   0.000045772   0.000102350
 C     -1.097258      2.204072     -0.452782    0.00   0.000070644  -0.000002553   0.000027703
 C     -1.251830      0.887274     -1.222605    0.00   0.000159759  -0.000030011   0.000055239
 C     -2.032466     -0.161649     -0.406469    0.00   0.000068185   0.000007756   0.000017205
 C     -1.373900     -0.320041      0.962499    0.00   0.000014208   0.000024591   0.000045940
 C     -1.161753      0.955120      1.747728    0.00  -0.000107953   0.000040237   0.000055115
 H     -1.767284      1.064296     -2.185040    0.00   0.000023508  -0.000006085   0.000000149
 H     -2.086721      2.673230     -0.293527    0.00   0.000005138  -0.000000811  -0.000007277
 H     -0.514646      2.925095     -1.058622    0.00   0.000010524  -0.000001837   0.000005470
 H      0.639144      1.612502      0.722916    0.00  -0.000003395   0.000006052   0.000017196
 H     -0.300305      2.927968      1.444471    0.00  -0.000011457   0.000004668   0.000007287
 H     -3.074096      0.212156     -0.234594    0.00   0.000006600   0.000004081  -0.000003668
 H     -2.137967      1.366868      2.070221    0.00  -0.000011855   0.000001225  -0.000004181
 H     -0.604183      0.738532      2.682336    0.00  -0.000016118   0.000006189   0.000008537
 H     -0.251228      0.483971     -1.482220    0.00   0.000015737  -0.000003304   0.000016670
 O     -1.026558     -1.397968      1.405563    0.00   0.000111271   0.000063600   0.000056600
 C     -2.097048     -1.496781     -1.143956    0.00   0.000052127  -0.000000088   0.000035404
 H     -2.589424     -2.264850     -0.532379    0.00   0.000003546   0.000001128   0.000003549
 H     -2.648140     -1.411092     -2.085858    0.00   0.000004544  -0.000000160   0.000002875
 H     -1.092467     -1.877622     -1.376442    0.00   0.000003973  -0.000001200   0.000002902
 H      0.641336     -1.924336      0.467373    0.00  -0.000002545  -0.000007305  -0.000020959
 O      1.279796     -1.811109     -0.326622    0.00   0.000158391  -0.000222285  -0.000050858
 O      1.848403     -0.555458      0.060252    0.00  -0.000539865   0.000217238  -0.000746954
 C      2.955357     -0.368360     -0.788312    0.00   0.000201855  -0.000170477   0.000270984
 H      3.136616     -1.183133     -1.487755    0.00   0.000058154  -0.000002744   0.000136535
 O      3.539774      0.671677     -0.619842    0.00  -0.000217914   0.000026323  -0.000033814
26
 Energy =      -0.194811476528
 C     -0.397333      1.973362      0.891318    0.00  -0.000058956   0.000046835   0.000102810
 C     -1.098358      2.204106     -0.453201    0.00   0.000070607  -0.000002010   0.000026836
 C     -1.254314      0.887743     -1.223470    0.00   0.000158430  -0.000029961   0.000055097
 C     -2.033507     -0.161775     -0.406748    0.00   0.000065538   0.000009409   0.000018079
 C     -1.374103     -0.320446      0.961791    0.00   0.000012994   0.000026166   0.000046287
 C     -1.160046      0.954475      1.746867    0.00  -0.000111541   0.000042320   0.000055524
 H     -1.771541      1.065391     -2.184864    0.00   0.000023395  -0.000006086   0.000000110
 H     -2.087532      2.673288     -0.292165    0.00   0.000005186  -0.000000625  -0.000007493
 H     -0.516649      2.925407     -1.059569    0.00   0.000010680  -0.000001934   0.000005400
 H      0.639640      1.611408      0.719725    0.00  -0.000003554   0.000006079   0.000017367
 H     -0.298170      2.927024      1.443048    0.00  -0.000011626   0.000004788   0.000007280
 H     -3.075239      0.211352     -0.233941    0.00   0.000006449   0.000004394  -0.000003532
 H     -2.135600      1.366567      2.070960    0.00  -0.000012196   0.000001409  -0.000004353
 H     -0.601216      0.737364      2.680620    0.00  -0.000016566   0.000006450   0.000008656
 H     -0.254264      0.484639     -1.485248    0.00   0.000015594  -0.000003399   0.000016681
 O     -1.027879     -1.398714      1.404907    0.00   0.000113493   0.000066226   0.000054933
 C     -2.097814     -1.496790     -1.144522    0.00   0.000045995   0.000001302   0.000037160
 H     -2.590034     -2.265071     -0.533066    0.00   0.000003128   0.000001312   0.000003861
 H     -2.648908     -1.411073     -2.086412    0.00   0.000003769  -0.000000035   0.000003173
 H     -1.093142     -1.877400     -1.376957    0.00   0.000003336  -0.000001180   0.000002775
 H      0.642231     -1.923583      0.470104    0.00  -0.000002706  -0.000007915  -0.000022480
 O      1.277919     -1.808047     -0.325718    0.00   0.000171481  -0.000234447  -0.000056855
 O      1.855251     -0.558499      0.068105    0.00  -0.000540853   0.000217389  -0.000737261
 C      2.952006     -0.365443     -0.792235    0.00   0.000208709  -0.000173492   0.000265050
 H      3.121732     -1.172951     -1.502920    0.00   0.000060621  -0.000004249   0.000135309
 O      3.542096      0.670711     -0.619660    0.00  -0.000221407   0.000031255  -0.000030414
26
 Energy =      -0.194775469796
 C     -0.396402      1.972624      0.889704    0.00  -0.000061061   0.000048017   0.000103402
 C     -1.099456      2.204132     -0.453605    0.00   0.000070726  -0.000001492   0.000025880
 C     -1.256775      0.888211     -1.224332    0.00   0.000157252  -0.000030026   0.000055015
 C     -2.034505     -0.161928     -0.407040    0.00   0.000062839   0.000011122   0.000019042
 C     -1.374286     -0.320876      0.961077    0.00   0.000011556   0.000027933   0.000046828
 C     -1.158282      0.953796      1.745999    0.00  -0.000115627   0.000044703   0.000056038
 H     -1.775774      1.066485     -2.184681    0.00   0.000023306  -0.000006102   0.000000070
 H     -2.088349      2.673308     -0.290762    0.00   0.000005251  -0.000000428  -0.000007744
 H     -0.518683      2.925737     -1.060498    0.00   0.000010868  -0.000002049   0.000005326
 H      0.640163      1.610311      0.716502    0.00  -0.000003729   0.000006111   0.000017578
 H     -0.296004      2.926058      1.441627    0.00  -0.000011822   0.000004923   0.000007276
 H     -3.076352      0.210489     -0.233313    0.00   0.000006297   0.000004722  -0.000003402
 H     -2.133164      1.366227      2.071730    0.00  -0.000012583   0.000001625  -0.000004546
 H     -0.598166      0.736146      2.678877    0.00  -0.000017080   0.000006749   0.000008798
 H     -0.257272      0.485328     -1.488274    0.00   0.000015460  -0.000003511   0.000016709
 O     -1.029224     -1.399491      1.404270    0.00   0.000115586   0.000069199   0.000053595
 C     -2.098483     -1.496820     -1.145116    0.00   0.000039727   0.000002661   0.000039173
 H     -2.590565     -2.265327     -0.533813    0.00   0.000002707   0.000001498   0.000004207
 H     -2.649529     -1.411076     -2.087024    0.00   0.000002972   0.000000079   0.000003500
 H     -1.093699     -1.877182     -1.377448    0.00   0.000002683  -0.000001163   0.000002659
 H      0.643179     -1.922739      0.473053    0.00  -0.000002886  -0.000008502  -0.000024149
 O      1.275888     -1.804842     -0.324732    0.00   0.000185244  -0.000247439  -0.000063813
 O      1.862083     -0.561527      0.075829    0.00  -0.000541539   0.000216941  -0.000727854
 C      2.948565     -0.362477     -0.796058    0.00   0.000215728  -0.000176389   0.000258994
 H      3.106595     -1.162608     -1.517714    0.00   0.000063152  -0.000005807   0.000133941
 O      3.544449      0.669685     -0.619526    0.00  -0.000225027   0.000036624  -0.000026523
26
 Energy =      -0.194739382997
 C     -0.395438      1.971869      0.888082    0.00  -0.000063365   0.000049315   0.000104132
 C     -1.100555      2.204150     -0.453993    0.00   0.000071007  -0.000001006   0.000024834
 C     -1.259214      0.888680     -1.225192    0.00   0.000156239  -0.000030215   0.000055004
 C     -2.035458     -0.162107     -0.407348    0.00   0.000060074   0.000012891   0.000020101
 C     -1.374443     -0.321335      0.960355    0.00   0.000009866   0.000029901   0.000047573
 C     -1.156454      0.953079      1.745125    0.00  -0.000120216   0.000047390   0.000056666
 H     -1.779985      1.067581     -2.184491    0.00   0.000023245  -0.000006135   0.000000027
 H     -2.089172      2.673289     -0.289313    0.00   0.000005335  -0.000000222  -0.000008030
 H     -0.520751      2.926086     -1.061407    0.00   0.000011090  -0.000002182   0.000005247
 H      0.640716      1.609212      0.713244    0.00  -0.000003922   0.000006145   0.000017827
 H     -0.293803      2.925066      1.440208    0.00  -0.000012040   0.000005075   0.000007273
 H     -3.077433      0.209564     -0.232711    0.00   0.000006143   0.000005067  -0.000003280
 H     -2.130650      1.365843      2.072533    0.00  -0.000013017   0.000001872  -0.000004764
 H     -0.595024      0.734873      2.677104    0.00  -0.000017664   0.000007086   0.000008964
 H     -0.260250      0.486038     -1.491297    0.00   0.000015337  -0.000003644   0.000016756
 O     -1.030590     -1.400302      1.403647    0.00   0.000117482   0.000072512   0.000052629
 C     -2.099052     -1.496871     -1.145743    0.00   0.000033333   0.000003984   0.000041453
 H     -2.591017     -2.265617     -0.534626    0.00   0.000002282   0.000001689   0.000004588
 H     -2.649999     -1.411098     -2.087696    0.00   0.000002154   0.000000179   0.000003854
 H     -1.094134     -1.876966     -1.377917    0.00   0.000002014  -0.000001151   0.000002556
 H      0.644188     -1.921810      0.476235    0.00  -0.000003094  -0.000009059  -0.000025971
 O      1.273698     -1.801489     -0.323651    0.00   0.000199706  -0.000261266  -0.000071763
 O      1.868888     -0.564532      0.083423    0.00  -0.000541937   0.000215927  -0.000718789
 C      2.945034     -0.359469     -0.799777    0.00   0.000222942  -0.000179171   0.000252820
 H      3.091216     -1.152121     -1.532120    0.00   0.000065747  -0.000007425   0.000132428
 O      3.546833      0.668595     -0.619445    0.00  -0.000228741   0.000042444  -0.000022136
26
 Energy =      -0.194703173546
 C     -0.394441      1.971095      0.886453    0.00  -0.000065864   0.000050713   0.000105003
 C     -1.101656      2.204161     -0.454361    0.00   0.000071458  -0.000000559   0.000023700
 C     -1.261630      0.889152     -1.226049    0.00   0.000155395  -0.000030543   0.000055064
 C     -2.036365     -0.162314     -0.407673    0.00   0.000057243   0.000014712   0.000021258
 C     -1.374572     -0.321824      0.959623    0.00   0.000007893   0.000032068   0.000048535
 C     -1.154557      0.952320      1.744244    0.00  -0.000125312   0.000050384   0.000057412
 H     -1.784173      1.068679     -2.184292    0.00   0.000023213  -0.000006186  -0.000000019
 H     -2.090005      2.673229     -0.287814    0.00   0.000005437  -0.000000006  -0.000008351
 H     -0.522857      2.926459     -1.062295    0.00   0.000011347  -0.000002335   0.000005164
 H      0.641299      1.608112      0.709947    0.00  -0.000004131   0.000006180   0.000018117
 H     -0.291568      2.924048      1.438794    0.00  -0.000012281   0.000005242   0.000007271
 H     -3.078481      0.208577     -0.232134    0.00   0.000005986   0.000005427  -0.000003169
 H     -2.128055      1.365408      2.073374    0.00  -0.000013499   0.000002153  -0.000005004
 H     -0.591784      0.733540      2.675298    0.00  -0.000018315   0.000007461   0.000009156
 H     -0.263200      0.486774     -1.494319    0.00   0.000015227  -0.000003798   0.000016825
 O     -1.031972     -1.401150      1.403035    0.00   0.000119106   0.000076162   0.000052078
 C     -2.099519     -1.496942     -1.146404    0.00   0.000026820   0.000005265   0.000044005
 H     -2.591388     -2.265940     -0.535510    0.00   0.000001853   0.000001882   0.000005002
 H     -2.650314     -1.411137     -2.088434    0.00   0.000001317   0.000000267   0.000004239
 H     -1.094447     -1.876752     -1.378367    0.00   0.000001330  -0.000001144   0.000002468
 H      0.645265     -1.920801      0.479665    0.00  -0.000003322  -0.000009579  -0.000027946
 O      1.271344     -1.797984     -0.322465    0.00   0.000214878  -0.000275933  -0.000080737
 O      1.875654     -0.567504      0.090884    0.00  -0.000542055   0.000214376  -0.000710118
 C      2.941417     -0.356424     -0.803386    0.00   0.000230366  -0.000181837   0.000246537
 H      3.075611     -1.141506     -1.546120    0.00   0.000068407  -0.000009104   0.000130760
 O      3.549244      0.667437     -0.619422    0.00  -0.000232496   0.000048733  -0.000017249
26
 Energy =      -0.194666794694
 C     -0.393408      1.970302      0.884817    0.00  -0.000068541   0.000052200   0.000106013
 C     -1.102759      2.204166     -0.454710    0.00   0.000072081  -0.000000155   0.000022476
 C     -1.264023      0.889626     -1.226904    0.00   0.000154729  -0.000031012   0.000055203
 C     -2.037223     -0.162548     -0.408014    0.00   0.000054333   0.000016583   0.000022508
 C     -1.374667     -0.322347      0.958879    0.00   0.000005619   0.000034433   0.000049731
 C     -1.152587      0.951515      1.743354    0.00  -0.000130915   0.000053684   0.000058285
 H     -1.788338      1.069783     -2.184086    0.00   0.000023211  -0.000006257  -0.000000068
 H     -2.090848      2.673127     -0.286260    0.00   0.000005557   0.000000218  -0.000008707
 H     -0.525006      2.926857     -1.063159    0.00   0.000011637  -0.000002509   0.000005075
 H      0.641914      1.607013      0.706610    0.00  -0.000004355   0.000006213   0.000018446
 H     -0.289297      2.923003      1.437384    0.00  -0.000012541   0.000005423   0.000007271
 H     -3.079492      0.207527     -0.231580    0.00   0.000005825   0.000005803  -0.000003068
 H     -2.125371      1.364917      2.074254    0.00  -0.000014028   0.000002470  -0.000005267
 H     -0.588437      0.732142      2.673455    0.00  -0.000019036   0.000007874   0.000009373
 H     -0.266118      0.487539     -1.497339    0.00   0.000015129  -0.000003974   0.000016914
 O     -1.033364     -1.402037      1.402430    0.00   0.000120377   0.000080138   0.000051977
 C     -2.099882     -1.497032     -1.147104    0.00   0.000020196   0.000006497   0.000046832
 H     -2.591679     -2.266297     -0.536469    0.00   0.000001420   0.000002078   0.000005450
 H     -2.650473     -1.411191     -2.089240    0.00   0.000000465   0.000000338   0.000004650
 H     -1.094635     -1.876539     -1.378799    0.00   0.000000631  -0.000001144   0.000002397
 H      0.646418     -1.919721      0.483355    0.00  -0.000003575  -0.000010054  -0.000030076
 O      1.268821     -1.794324     -0.321166    0.00   0.000230775  -0.000291435  -0.000090753
 O      1.882369     -0.570432      0.098210    0.00  -0.000541894   0.000212324  -0.000701876
 C      2.937716     -0.353348     -0.806881    0.00   0.000238018  -0.000184391   0.000240146
 H      3.059795     -1.130784     -1.559695    0.00   0.000071126  -0.000010848   0.000128933
 O      3.551681      0.666210     -0.619462    0.00  -0.000236245   0.000055501  -0.000011866
26
 Energy =       -0.19463019606
 C     -0.392340      1.969491      0.883173    0.00  -0.000071385   0.000053759   0.000107162
 C     -1.103867      2.204165     -0.455036    0.00   0.000072879   0.000000195   0.000021165
 C     -1.266393      0.890106     -1.227756    0.00   0.000154232  -0.000031624   0.000055417
 C     -2.038031     -0.162809     -0.408373    0.00   0.000051347   0.000018498   0.000023858
 C     -1.374724     -0.322904      0.958120    0.00   0.000003013   0.000036994   0.000051162
 C     -1.150540      0.950663      1.742455    0.00  -0.000137017   0.000057287   0.000059283
 H     -1.792481      1.070893     -2.183870    0.00   0.000023238  -0.000006346  -0.000000121
 H     -2.091704      2.672980     -0.284648    0.00   0.000005694   0.000000451  -0.000009096
 H     -0.527199      2.927283     -1.063996    0.00   0.000011960  -0.000002702   0.000004981
 H      0.642562      1.605917      0.703229    0.00  -0.000004594   0.000006241   0.000018813
 H     -0.286991      2.921929      1.435982    0.00  -0.000012818   0.000005617   0.000007272
 H     -3.080465      0.206411     -0.231048    0.00   0.000005660   0.000006194  -0.000002979
 H     -2.122596      1.364365      2.075176    0.00  -0.000014603   0.000002822  -0.000005550
 H     -0.584977      0.730676      2.671574    0.00  -0.000019825   0.000008324   0.000009618
 H     -0.269005      0.488335     -1.500357    0.00   0.000015044  -0.000004175   0.000017027
 O     -1.034759     -1.402966      1.401825    0.00   0.000121221   0.000084427   0.000052363
 C     -2.100141     -1.497140     -1.147845    0.00   0.000013472   0.000007671   0.000049933
 H     -2.591887     -2.266687     -0.537508    0.00   0.000000982   0.000002275   0.000005930
 H     -2.650473     -1.411256     -2.090117    0.00  -0.000000399   0.000000395   0.000005088
 H     -1.094696     -1.876326     -1.379218    0.00  -0.000000078  -0.000001149   0.000002346
 H      0.647652     -1.918578      0.487314    0.00  -0.000003857  -0.000010473  -0.000032355
 O      1.266125     -1.790505     -0.319744    0.00   0.000247401  -0.000307758  -0.000101821
 O      1.889019     -0.573306      0.105400    0.00  -0.000541451   0.000209809  -0.000694094
 C      2.933934     -0.350248     -0.810257    0.00   0.000245912  -0.000186830   0.000233650
 H      3.043787     -1.119974     -1.572830    0.00   0.000073899  -0.000012655   0.000126945
 O      3.554139      0.664911     -0.619570    0.00  -0.000239930   0.000062750  -0.000005997
26
 Energy =        -0.1945933243
 C     -0.391235      1.968662      0.881523    0.00  -0.000074380   0.000055375   0.000108440
 C     -1.104980      2.204160     -0.455339    0.00   0.000073842   0.000000492   0.000019773
 C     -1.268740      0.890593     -1.228606    0.00   0.000153905  -0.000032385   0.000055706
 C     -2.038788     -0.163098     -0.408752    0.00   0.000048281   0.000020455   0.000025301
 C     -1.374738     -0.323498      0.957344    0.00   0.000000056   0.000039746   0.000052832
 C     -1.148411      0.949760      1.741547    0.00  -0.000143605   0.000061182   0.000060415
 H     -1.796601      1.072012     -2.183646    0.00   0.000023294  -0.000006452  -0.000000178
 H     -2.092573      2.672789     -0.282976    0.00   0.000005848   0.000000692  -0.000009517
 H     -0.529440      2.927740     -1.064805    0.00   0.000012317  -0.000002915   0.000004881
 H      0.643245      1.604827      0.699803    0.00  -0.000004845   0.000006262   0.000019216
 H     -0.284650      2.920826      1.434588    0.00  -0.000013108   0.000005822   0.000007275
 H     -3.081399      0.205231     -0.230537    0.00   0.000005491   0.000006599  -0.000002901
 H     -2.119724      1.363747      2.076141    0.00  -0.000015222   0.000003213  -0.000005851
 H     -0.581400      0.729137      2.669653    0.00  -0.000020677   0.000008807   0.000009888
 H     -0.271860      0.489166     -1.503374    0.00   0.000014972  -0.000004398   0.000017160
 O     -1.036152     -1.403938      1.401218    0.00   0.000121560   0.000089009   0.000053266
 C     -2.100294     -1.497264     -1.148630    0.00   0.000006661   0.000008781   0.000053305
 H     -2.592013     -2.267109     -0.538630    0.00   0.000000536   0.000002475   0.000006442
 H     -2.650314     -1.411329     -2.091068    0.00  -0.000001273   0.000000438   0.000005550
 H     -1.094632     -1.876113     -1.379625    0.00  -0.000000799  -0.000001163   0.000002316
 H      0.648975     -1.917382      0.491551    0.00  -0.000004165  -0.000010828  -0.000034778
 O      1.263255     -1.786528     -0.318189    0.00   0.000264750  -0.000324876  -0.000113938
 O      1.895593     -0.576118      0.112453    0.00  -0.000540720   0.000206873  -0.000686790
 C      2.930074     -0.347130     -0.813510    0.00   0.000254047  -0.000189159   0.000227050
 H      3.027606     -1.109097     -1.585509    0.00   0.000076718  -0.000014522   0.000124794
 O      3.556614      0.663539     -0.619749    0.00  -0.000243482   0.000070479   0.000000341
26
 Energy =      -0.194556123906
 C     -0.390094      1.967815      0.879868    0.00  -0.000077510   0.000057027   0.000109843
 C     -1.106098      2.204150     -0.455617    0.00   0.000074972   0.000000729   0.000018300
 C     -1.271061      0.891087     -1.229453    0.00   0.000153732  -0.000033291   0.000056070
 C     -2.039490     -0.163414     -0.409149    0.00   0.000045124   0.000022442   0.000026835
 C     -1.374705     -0.324130      0.956548    0.00  -0.000003268   0.000042681   0.000054745
 C     -1.146198      0.948803      1.740629    0.00  -0.000150654   0.000065357   0.000061679
 H     -1.800696      1.073140     -2.183413    0.00   0.000023378  -0.000006577  -0.000000238
 H     -2.093456      2.672552     -0.281241    0.00   0.000006017   0.000000940  -0.000009968
 H     -0.531729      2.928229     -1.065583    0.00   0.000012704  -0.000003147   0.000004775
 H      0.643962      1.603746      0.696333    0.00  -0.000005108   0.000006273   0.000019653
 H     -0.282277      2.919695      1.433204    0.00  -0.000013409   0.000006038   0.000007279
 H     -3.082290      0.203986     -0.230044    0.00   0.000005312   0.000007016  -0.000002836
 H     -2.116755      1.363057      2.077150    0.00  -0.000015886   0.000003639  -0.000006168
 H     -0.577700      0.727525      2.667690    0.00  -0.000021590   0.000009323   0.000010185
 H     -0.274681      0.490034     -1.506389    0.00   0.000014912  -0.000004646   0.000017315
 O     -1.037532     -1.404955      1.400602    0.00   0.000121325   0.000093862   0.000054708
 C     -2.100343     -1.497403     -1.149461    0.00  -0.000000225   0.000009829   0.000056936
 H     -2.592057     -2.267562     -0.539837    0.00   0.000000084   0.000002676   0.000006982
 H     -2.649999     -1.411407     -2.092093    0.00  -0.000002151   0.000000462   0.000006032
 H     -1.094444     -1.875897     -1.380025    0.00  -0.000001526  -0.000001186   0.000002312
 H      0.650393     -1.916144      0.496071    0.00  -0.000004504  -0.000011114  -0.000037337
 O      1.260209     -1.782393     -0.316495    0.00   0.000282808  -0.000342746  -0.000127088
 O      1.902077     -0.578859      0.119369    0.00  -0.000539685   0.000203560  -0.000679974
 C      2.926139     -0.344001     -0.816637    0.00   0.000262422  -0.000191376   0.000220349
 H      3.011274     -1.098174     -1.597719    0.00   0.000079570  -0.000016445   0.000122483
 O      3.559100      0.662093     -0.620003    0.00  -0.000246842   0.000078674   0.000007125
26
 Energy =      -0.194518538119
 C     -0.388917      1.966953      0.878206    0.00  -0.000080751   0.000058701   0.000111360
 C     -1.107223      2.204138     -0.455869    0.00   0.000076248   0.000000903   0.000016756
 C     -1.273358      0.891591     -1.230298    0.00   0.000153705  -0.000034342   0.000056504
 C     -2.040138     -0.163757     -0.409567    0.00   0.000041870   0.000024458   0.000028455
 C     -1.374619     -0.324800      0.955731    0.00  -0.000006968   0.000045785   0.000056898
 C     -1.143900      0.947792      1.739701    0.00  -0.000158137   0.000069789   0.000063075
 H     -1.804767      1.074279     -2.183171    0.00   0.000023488  -0.000006717  -0.000000303
 H     -2.094355      2.672270     -0.279443    0.00   0.000006202   0.000001196  -0.000010444
 H     -0.534069      2.928753     -1.066330    0.00   0.000013121  -0.000003399   0.000004662
 H      0.644714      1.602677      0.692818    0.00  -0.000005381   0.000006272   0.000020120
 H     -0.279873      2.918537      1.431833    0.00  -0.000013718   0.000006260   0.000007285
 H     -3.083137      0.202678     -0.229568    0.00   0.000005128   0.000007445  -0.000002785
 H     -2.113687      1.362292      2.078203    0.00  -0.000016589   0.000004102  -0.000006499
 H     -0.573877      0.725838      2.665683    0.00  -0.000022562   0.000009868   0.000010508
 H     -0.277467      0.490941     -1.509401    0.00   0.000014864  -0.000004917   0.000017492
 O     -1.038892     -1.406016      1.399974    0.00   0.000120451   0.000098961   0.000056703
 C     -2.100288     -1.497556     -1.150339    0.00  -0.000007172   0.000010803   0.000060818
 H     -2.592018     -2.268044     -0.541132    0.00  -0.000000380   0.000002879   0.000007547
 H     -2.649530     -1.411488     -2.093193    0.00  -0.000003029   0.000000473   0.000006531
 H     -1.094131     -1.875677     -1.380422    0.00  -0.000002259  -0.000001218   0.000002335
 H      0.651912     -1.914878      0.500875    0.00  -0.000004877  -0.000011319  -0.000040016
 O      1.256986     -1.778102     -0.314656    0.00   0.000301546  -0.000361322  -0.000141242
 O      1.908461     -0.581521      0.126146    0.00  -0.000538333   0.000199918  -0.000673642
 C      2.922133     -0.340868     -0.819634    0.00   0.000271028  -0.000193484   0.000213546
 H      2.994814     -1.087225     -1.609450    0.00   0.000082443  -0.000018415   0.000120016
 O      3.561592      0.660571     -0.620333    0.00  -0.000249940   0.000087318   0.000014321
26
 Energy =      -0.194480509931
 C     -0.387706      1.966075      0.876541    0.00  -0.000084093   0.000060373   0.000112986
 C     -1.108355      2.204124     -0.456094    0.00   0.000077669   0.000001014   0.000015142
 C     -1.275628      0.892105     -1.231139    0.00   0.000153804  -0.000035528   0.000057003
 C     -2.040730     -0.164125     -0.410004    0.00   0.000038524   0.000026495   0.000030158
 C     -1.374477     -0.325509      0.954890    0.00  -0.000011055   0.000049049   0.000059284
 C     -1.141516      0.946726      1.738762    0.00  -0.000166023   0.000074460   0.000064596
 H     -1.808812      1.075430     -2.182919    0.00   0.000023621  -0.000006876  -0.000000372
 H     -2.095270      2.671942     -0.277581    0.00   0.000006399   0.000001458  -0.000010945
 H     -0.536459      2.929312     -1.067042    0.00   0.000013563  -0.000003666   0.000004544
 H      0.645500      1.601625      0.689260    0.00  -0.000005662   0.000006256   0.000020614
 H     -0.277443      2.917352      1.430476    0.00  -0.000014029   0.000006487   0.000007290
 H     -3.083937      0.201307     -0.229107    0.00   0.000004935   0.000007884  -0.000002747
 H     -2.110519      1.361447      2.079300    0.00  -0.000017329   0.000004600  -0.000006842
 H     -0.569928      0.724074      2.663633    0.00  -0.000023584   0.000010439   0.000010856
 H     -0.280216      0.491890     -1.512410    0.00   0.000014827  -0.000005211   0.000017687
 O     -1.040223     -1.407122      1.399327    0.00   0.000118894   0.000104272   0.000059253
 C     -2.100130     -1.497721     -1.151266    0.00  -0.000014168   0.000011706   0.000064929
 H     -2.591897     -2.268556     -0.542513    0.00  -0.000000854   0.000003083   0.000008133
 H     -2.648911     -1.411568     -2.094366    0.00  -0.000003904   0.000000470   0.000007044
 H     -1.093698     -1.875453     -1.380821    0.00  -0.000002996  -0.000001261   0.000002386
 H      0.653536     -1.913595      0.505962    0.00  -0.000005285  -0.000011440  -0.000042801
 O      1.253587     -1.773657     -0.312665    0.00   0.000320928  -0.000380535  -0.000156354
 O      1.914732     -0.584100      0.132784    0.00  -0.000536644   0.000195998  -0.000667784
 C      2.918061     -0.337739     -0.822498    0.00   0.000279841  -0.000195477   0.000206648
 H      2.978248     -1.076271     -1.620692    0.00   0.000085322  -0.000020423   0.000117401
 O      3.564081      0.658975     -0.620743    0.00  -0.000252703   0.000096374   0.000021889
26
 Energy =      -0.194441983182
 C     -0.386461      1.965185      0.874873    0.00  -0.000087506   0.000062025   0.000114699
 C     -1.109493      2.204110     -0.456292    0.00   0.000079216   0.000001059   0.000013470
 C     -1.277871      0.892630     -1.231977    0.00   0.000154016  -0.000036844   0.000057565
 C     -2.041265     -0.164519     -0.410461    0.00   0.000035080   0.000028545   0.000031929
 C     -1.374275     -0.326258      0.954024    0.00  -0.000015524   0.000052450   0.000061892
 C     -1.139045      0.945604      1.737813    0.00  -0.000174274   0.000079340   0.000066241
 H     -1.812830      1.076593     -2.182659    0.00   0.000023775  -0.000007047  -0.000000445
 H     -2.096201      2.671569     -0.275656    0.00   0.000006605   0.000001725  -0.000011467
 H     -0.538898      2.929909     -1.067718    0.00   0.000014031  -0.000003950   0.000004419
 H      0.646320      1.600592      0.685661    0.00  -0.000005949   0.000006225   0.000021135
 H     -0.274990      2.916143      1.429134    0.00  -0.000014344   0.000006718   0.000007298
 H     -3.084690      0.199876     -0.228659    0.00   0.000004732   0.000008330  -0.000002720
 H     -2.107253      1.360521      2.080439    0.00  -0.000018102   0.000005132  -0.000007192
 H     -0.565854      0.722234      2.661538    0.00  -0.000024651   0.000011031   0.000011227
 H     -0.282928      0.492881     -1.515414    0.00   0.000014799  -0.000005528   0.000017898
 O     -1.041516     -1.408272      1.398657    0.00   0.000116614   0.000109766   0.000062356
 C     -2.099872     -1.497896     -1.152242    0.00  -0.000021203   0.000012534   0.000069248
 H     -2.591694     -2.269095     -0.543981    0.00  -0.000001343   0.000003287   0.000008738
 H     -2.648148     -1.411645     -2.095613    0.00  -0.000004769   0.000000452   0.000007566
 H     -1.093148     -1.875223     -1.381226    0.00  -0.000003734  -0.000001317   0.000002469
 H      0.655269     -1.912309      0.511327    0.00  -0.000005731  -0.000011469  -0.000045670
 O      1.250016     -1.769063     -0.310521    0.00   0.000340897  -0.000400308  -0.000172367
 O      1.920880     -0.586589      0.139285    0.00  -0.000534594   0.000191848  -0.000662379
 C      2.913926     -0.334619     -0.825229    0.00   0.000288841  -0.000197355   0.000199657
 H      2.961601     -1.065331     -1.631441    0.00   0.000088190  -0.000022456   0.000114652
 O      3.566563      0.657304     -0.621231    0.00  -0.000255071   0.000105805   0.000029781
26
 Energy =      -0.194402903671
 C     -0.385185      1.964283      0.873203    0.00  -0.000090977   0.000063639   0.000116497
 C     -1.110638      2.204095     -0.456463    0.00   0.000080871   0.000001038   0.000011743
 C     -1.280086      0.893167     -1.232812    0.00   0.000154320  -0.000038287   0.000058176
 C     -2.041742     -0.164936     -0.410937    0.00   0.000031532   0.000030600   0.000033766
 C     -1.374009     -0.327045      0.953132    0.00  -0.000020367   0.000055970   0.000064704
 C     -1.136488      0.944427      1.736853    0.00  -0.000182842   0.000084396   0.000068001
 H     -1.816818      1.077768     -2.182389    0.00   0.000023949  -0.000007229  -0.000000521
 H     -2.097148      2.671153     -0.273668    0.00   0.000006820   0.000001997  -0.000012006
 H     -0.541387      2.930542     -1.068359    0.00   0.000014518  -0.000004249   0.000004288
 H      0.647173      1.599582      0.682023    0.00  -0.000006242   0.000006177   0.000021674
 H     -0.272517      2.914912      1.427809    0.00  -0.000014657   0.000006951   0.000007305
 H     -3.085393      0.198387     -0.228223    0.00   0.000004519   0.000008786  -0.000002707
 H     -2.103890      1.359512      2.081620    0.00  -0.000018906   0.000005694  -0.000007549
 H     -0.561657      0.720321      2.659400    0.00  -0.000025761   0.000011641   0.000011621
 H     -0.285600      0.493917     -1.518412    0.00   0.000014780  -0.000005864   0.000018127
 O     -1.042761     -1.409466      1.397961    0.00   0.000113597   0.000115409   0.000065991
 C     -2.099516     -1.498080     -1.153267    0.00  -0.000028267   0.000013286   0.000073753
 H     -2.591407     -2.269660     -0.545534    0.00  -0.000001849   0.000003493   0.000009356
 H     -2.647247     -1.411716     -2.096929    0.00  -0.000005620   0.000000423   0.000008092
 H     -1.092484     -1.874984     -1.381641    0.00  -0.000004470  -0.000001385   0.000002586
 H      0.657114     -1.911034      0.516962    0.00  -0.000006219  -0.000011403  -0.000048603
 O      1.246275     -1.764325     -0.308219    0.00   0.000361393  -0.000420549  -0.000189202
 O      1.926898     -0.588987      0.145649    0.00  -0.000532169   0.000187526  -0.000657388
 C      2.909734     -0.331514     -0.827824    0.00   0.000297990  -0.000199117   0.000192574
 H      2.944897     -1.054424     -1.641693    0.00   0.000091031  -0.000024504   0.000111779
 O      3.569028      0.655562     -0.621799    0.00  -0.000256974   0.000115561   0.000037944
26
 Energy =      -0.194363220306
 C     -0.383879      1.963373      0.871532    0.00  -0.000094486   0.000065203   0.000118361
 C     -1.111790      2.204082     -0.456605    0.00   0.000082617   0.000000950   0.000009971
 C     -1.282272      0.893717     -1.233642    0.00   0.000154699  -0.000039836   0.000058836
 C     -2.042161     -0.165376     -0.411433    0.00   0.000027882   0.000032652   0.000035663
 C     -1.373676     -0.327871      0.952212    0.00  -0.000025577   0.000059586   0.000067702
 C     -1.133848      0.943195      1.735882    0.00  -0.000191684   0.000089589   0.000069865
 H     -1.820776      1.078957     -2.182110    0.00   0.000024137  -0.000007425  -0.000000603
 H     -2.098111      2.670693     -0.271620    0.00   0.000007043   0.000002273  -0.000012559
 H     -0.543924      2.931214     -1.068962    0.00   0.000015022  -0.000004559   0.000004150
 H      0.648057      1.598599      0.678348    0.00  -0.000006538   0.000006111   0.000022230
 H     -0.270029      2.913660      1.426503    0.00  -0.000014968   0.000007182   0.000007315
 H     -3.086046      0.196843     -0.227795    0.00   0.000004296   0.000009244  -0.000002708
 H     -2.100434      1.358417      2.082839    0.00  -0.000019734   0.000006284  -0.000007909
 H     -0.557339      0.718335      2.657218    0.00  -0.000026903   0.000012263   0.000012036
 H     -0.288233      0.494997     -1.521404    0.00   0.000014770  -0.000006221   0.000018368
 O     -1.043951     -1.410702      1.397233    0.00   0.000109845   0.000121161   0.000070125
 C     -2.099066     -1.498271     -1.154341    0.00  -0.000035349   0.000013967   0.000078413
 H     -2.591037     -2.270250     -0.547169    0.00  -0.000002376   0.000003699   0.000009982
 H     -2.646218     -1.411781     -2.098313    0.00  -0.000006454   0.000000384   0.000008616
 H     -1.091710     -1.874736     -1.382073    0.00  -0.000005204  -0.000001468   0.000002739
 H      0.659073     -1.909781      0.522855    0.00  -0.000006749  -0.000011239  -0.000051570
 O      1.242368     -1.759450     -0.305761    0.00   0.000382335  -0.000441162  -0.000206780
 O      1.932776     -0.591290      0.151877    0.00  -0.000529348   0.000183087  -0.000652770
 C      2.905489     -0.328431     -0.830284    0.00   0.000307251  -0.000200759   0.000185412
 H      2.928159     -1.043566     -1.651448    0.00   0.000093824  -0.000026553   0.000108800
 O      3.571471      0.653749     -0.622445    0.00  -0.000258353   0.000125586   0.000046315
26
 Energy =      -0.194322886148
 C     -0.382546      1.962456      0.869862    0.00  -0.000098016   0.000066695   0.000120282
 C     -1.112948      2.204071     -0.456721    0.00   0.000084437   0.000000797   0.000008165
 C     -1.284428      0.894280     -1.234469    0.00   0.000155141  -0.000041489   0.000059532
 C     -2.042522     -0.165837     -0.411948    0.00   0.000024131   0.000034694   0.000037594
 C     -1.373274     -0.328733      0.951265    0.00  -0.000031123   0.000063277   0.000070862
 C     -1.131125      0.941911      1.734900    0.00  -0.000200757   0.000094886   0.000071827
 H     -1.824703      1.080157     -2.181823    0.00   0.000024339  -0.000007629  -0.000000687
 H     -2.099090      2.670193     -0.269514    0.00   0.000007270   0.000002551  -0.000013122
 H     -0.546507      2.931923     -1.069527    0.00   0.000015540  -0.000004881   0.000004006
 H      0.648971      1.597647      0.674641    0.00  -0.000006836   0.000006026   0.000022800
 H     -0.267531      2.912391      1.425215    0.00  -0.000015274   0.000007411   0.000007324
 H     -3.086647      0.195246     -0.227375    0.00   0.000004063   0.000009708  -0.000002717
 H     -2.096887      1.357238      2.084096    0.00  -0.000020584   0.000006898  -0.000008268
 H     -0.552904      0.716281      2.654993    0.00  -0.000028071   0.000012893   0.000012468
 H     -0.290826      0.496122     -1.524387    0.00   0.000014763  -0.000006596   0.000018622
 O     -1.045079     -1.411979      1.396472    0.00   0.000105379   0.000126983   0.000074720
 C     -2.098523     -1.498468     -1.155464    0.00  -0.000042455   0.000014577   0.000083198
 H     -2.590583     -2.270863     -0.548882    0.00  -0.000002926   0.000003907   0.000010612
 H     -2.645068     -1.411838     -2.099758    0.00  -0.000007264   0.000000337   0.000009135
 H     -1.090832     -1.874477     -1.382526    0.00  -0.000005933  -0.000001566   0.000002929
 H      0.661146     -1.908565      0.528993    0.00  -0.000007322  -0.000010976  -0.000054547
 O      1.238301     -1.754445     -0.303145    0.00   0.000403635  -0.000462033  -0.000224993
 O      1.938508     -0.593498      0.157971    0.00  -0.000526112   0.000178584  -0.000648477
 C      2.901196     -0.325375     -0.832608    0.00   0.000316581  -0.000202276   0.000178179
 H      2.911409     -1.032773     -1.660711    0.00   0.000096554  -0.000028587   0.000105732
 O      3.573883      0.651868     -0.623167    0.00  -0.000259159   0.000135810   0.000054825
26
 Energy =      -0.194281859423
 C     -0.381187      1.961535      0.868193    0.00  -0.000101561   0.000068106   0.000122251
 C     -1.114111      2.204063     -0.456808    0.00   0.000086315   0.000000580   0.000006328
 C     -1.286555      0.894857     -1.235291    0.00   0.000155618  -0.000043236   0.000060259
 C     -2.042826     -0.166318     -0.412480    0.00   0.000020286   0.000036720   0.000039555
 C     -1.372801     -0.329631      0.950290    0.00  -0.000036975   0.000067007   0.000074156
 C     -1.128324      0.940575      1.733908    0.00  -0.000210013   0.000100247   0.000073872
 H     -1.828597      1.081370     -2.181527    0.00   0.000024553  -0.000007841  -0.000000776
 H     -2.100083      2.669652     -0.267353    0.00   0.000007499   0.000002831  -0.000013693
 H     -0.549133      2.932670     -1.070055    0.00   0.000016071  -0.000005212   0.000003857
 H      0.649914      1.596727      0.670903    0.00  -0.000007134   0.000005923   0.000023378
 H     -0.265024      2.911107      1.423948    0.00  -0.000015574   0.000007634   0.000007336
 H     -3.087196      0.193600     -0.226961    0.00   0.000003817   0.000010173  -0.000002737
 H     -2.093253      1.355974      2.085387    0.00  -0.000021451   0.000007530  -0.000008625
 H     -0.548357      0.714160      2.652728    0.00  -0.000029260   0.000013526   0.000012917
 H     -0.293377      0.497293     -1.527362    0.00   0.000014762  -0.000006987   0.000018885
 O     -1.046138     -1.413294      1.395674    0.00   0.000100244   0.000132846   0.000079716
 C     -2.097893     -1.498670     -1.156634    0.00  -0.000049578   0.000015121   0.000088084
 H     -2.590045     -2.271498     -0.550670    0.00  -0.000003506   0.000004117   0.000011237
 H     -2.643807     -1.411885     -2.101262    0.00  -0.000008050   0.000000285   0.000009642
 H     -1.089854     -1.874204     -1.383005    0.00  -0.000006660  -0.000001682   0.000003155
 H      0.663334     -1.907397      0.535358    0.00  -0.000007937  -0.000010616  -0.000057505
 O      1.234081     -1.749316     -0.300375    0.00   0.000425190  -0.000483047  -0.000243732
 O      1.944090     -0.595612      0.163933    0.00  -0.000522444   0.000174071  -0.000644443
 C      2.896859     -0.322350     -0.834800    0.00   0.000325925  -0.000203672   0.000170881
 H      2.894670     -1.022056     -1.669486    0.00   0.000099203  -0.000030596   0.000102592
 O      3.576257      0.649922     -0.623963    0.00  -0.000259340   0.000146171   0.000063411
26
 Energy =      -0.194240104391
 C     -0.379804      1.960611      0.866526    0.00  -0.000105101   0.000069423   0.000124255
 C     -1.115279      2.204058     -0.456870    0.00   0.000088231   0.000000300   0.000004472
 C     -1.288651      0.895447     -1.236108    0.00   0.000156127  -0.000045059   0.000061005
 C     -2.043072     -0.166817     -0.413031    0.00   0.000016337   0.000038721   0.000041538
 C     -1.372255     -0.330564      0.949287    0.00  -0.000043108   0.000070755   0.000077552
 C     -1.125446      0.939191      1.732905    0.00  -0.000219404   0.000105626   0.000075988
 H     -1.832459      1.082596     -2.181222    0.00   0.000024775  -0.000008059  -0.000000868
 H     -2.101090      2.669073     -0.265139    0.00   0.000007729   0.000003112  -0.000014269
 H     -0.551801      2.933454     -1.070544    0.00   0.000016609  -0.000005550   0.000003703
 H      0.650884      1.595843      0.667138    0.00  -0.000007432   0.000005804   0.000023964
 H     -0.262514      2.909810      1.422701    0.00  -0.000015870   0.000007850   0.000007348
 H     -3.087691      0.191906     -0.226552    0.00   0.000003564   0.000010641  -0.000002766
 H     -2.089537      1.354628      2.086710    0.00  -0.000022331   0.000008177  -0.000008980
 H     -0.543701      0.711978      2.650422    0.00  -0.000030465   0.000014157   0.000013379
 H     -0.295887      0.498509     -1.530327    0.00   0.000014764  -0.000007394   0.000019156
 O     -1.047123     -1.414646      1.394838    0.00   0.000094514   0.000138705   0.000085051
 C     -2.097177     -1.498874     -1.157849    0.00  -0.000056727   0.000015605   0.000093025
 H     -2.589420     -2.272155     -0.552528    0.00  -0.000004117   0.000004330   0.000011858
 H     -2.642444     -1.411923     -2.102819    0.00  -0.000008806   0.000000230   0.000010133
 H     -1.088780     -1.873916     -1.383515    0.00  -0.000007381  -0.000001817   0.000003422
 H      0.665634     -1.906288      0.541933    0.00  -0.000008596  -0.000010158  -0.000060414
 O      1.229714     -1.744073     -0.297454    0.00   0.000446894  -0.000504083  -0.000262883
 O      1.949519     -0.597634      0.169765    0.00  -0.000518332   0.000169600  -0.000640604
 C      2.892483     -0.319359     -0.836859    0.00   0.000335236  -0.000204933   0.000163537
 H      2.877961     -1.011426     -1.677782    0.00   0.000101754  -0.000032565   0.000099400
 O      3.578588      0.647915     -0.624830    0.00  -0.000258862   0.000156583   0.000071998
26
 Energy =      -0.194197592049
 C     -0.378399      1.959687      0.864862    0.00  -0.000108633   0.000070636   0.000126289
 C     -1.116452      2.204058     -0.456905    0.00   0.000090171  -0.000000040   0.000002600
 C     -1.290716      0.896050     -1.236921    0.00   0.000156646  -0.000046954   0.000061764
 C     -2.043260     -0.167334     -0.413597    0.00   0.000012298   0.000040693   0.000043526
 C     -1.371637     -0.331528      0.948257    0.00  -0.000049474   0.000074494   0.000081018
 C     -1.122495      0.937761      1.731892    0.00  -0.000228889   0.000110986   0.000078164
 H     -1.836287      1.083832     -2.180908    0.00   0.000025005  -0.000008281  -0.000000963
 H     -2.102110      2.668459     -0.262875    0.00   0.000007958   0.000003393  -0.000014846
 H     -0.554508      2.934274     -1.070997    0.00   0.000017151  -0.000005895   0.000003545
 H      0.651879      1.594996      0.663348    0.00  -0.000007728   0.000005668   0.000024554
 H     -0.260001      2.908503      1.421474    0.00  -0.000016159   0.000008058   0.000007362
 H     -3.088135      0.190168     -0.226146    0.00   0.000003298   0.000011109  -0.000002803
 H     -2.085742      1.353201      2.088062    0.00  -0.000023221   0.000008833  -0.000009329
 H     -0.538943      0.709739      2.648077    0.00  -0.000031678   0.000014783   0.000013852
 H     -0.298356      0.499769     -1.533283    0.00   0.000014769  -0.000007812   0.000019435
 O     -1.048031     -1.416032      1.393962    0.00   0.000088264   0.000144524   0.000090646
 C     -2.096380     -1.499082     -1.159107    0.00  -0.000063909   0.000016032   0.000097997
 H     -2.588707     -2.272833     -0.554449    0.00  -0.000004763   0.000004545   0.000012465
 H     -2.640988     -1.411951     -2.104423    0.00  -0.000009532   0.000000175   0.000010604
 H     -1.087616     -1.873610     -1.384061    0.00  -0.000008098  -0.000001970   0.000003726
 H      0.668043     -1.905248      0.548696    0.00  -0.000009290  -0.000009611  -0.000063246
 O      1.225208     -1.738724     -0.294385    0.00   0.000468629  -0.000525015  -0.000282312
 O      1.954791     -0.599567      0.175470    0.00  -0.000513768   0.000165222  -0.000636888
 C      2.888073     -0.316407     -0.838790    0.00   0.000344463  -0.000206066   0.000156153
 H      2.861300     -1.000892     -1.685610    0.00   0.000104190  -0.000034485   0.000096171
 O      3.580867      0.645850     -0.625763    0.00  -0.000257698   0.000166978   0.000080517
26
 Energy =      -0.194154300707
 C     -0.376974      1.958765      0.863202    0.00  -0.000112150   0.000071741   0.000128342
 C     -1.117629      2.204062     -0.456915    0.00   0.000092119  -0.000000440   0.000000726
 C     -1.292751      0.896668     -1.237729    0.00   0.000157169  -0.000048908   0.000062526
 C     -2.043393     -0.167867     -0.414180    0.00   0.000008168   0.000042629   0.000045508
 C     -1.370947     -0.332523      0.947199    0.00  -0.000056030   0.000078196   0.000084522
 C     -1.119473      0.936288      1.730869    0.00  -0.000238433   0.000116285   0.000080385
 H     -1.840081      1.085080     -2.180585    0.00   0.000025240  -0.000008506  -0.000001061
 H     -2.103142      2.667810     -0.260565    0.00   0.000008185   0.000003671  -0.000015424
 H     -0.557252      2.935129     -1.071413    0.00   0.000017696  -0.000006242   0.000003384
 H      0.652898      1.594188      0.659536    0.00  -0.000008022   0.000005518   0.000025146
 H     -0.257490      2.907189      1.420267    0.00  -0.000016445   0.000008255   0.000007380
 H     -3.088525      0.188388     -0.225743    0.00   0.000003025   0.000011578  -0.000002847
 H     -2.081871      1.351696      2.089440    0.00  -0.000024117   0.000009493  -0.000009672
 H     -0.534086      0.707447      2.645696    0.00  -0.000032895   0.000015398   0.000014333
 H     -0.300784      0.501074     -1.536228    0.00   0.000014774  -0.000008245   0.000019717
 O     -1.048860     -1.417450      1.393047    0.00   0.000081605   0.000150272   0.000096415
 C     -2.095504     -1.499290     -1.160408    0.00  -0.000071135   0.000016416   0.000102963
 H     -2.587904     -2.273531     -0.556429    0.00  -0.000005449   0.000004764   0.000013055
 H     -2.639449     -1.411970     -2.106069    0.00  -0.000010226   0.000000123   0.000011053
 H     -1.086365     -1.873284     -1.384647    0.00  -0.000008813  -0.000002143   0.000004069
 H      0.670559     -1.904286      0.555626    0.00  -0.000010019  -0.000008975  -0.000065972
 O      1.220570     -1.733276     -0.291174    0.00   0.000490273  -0.000545723  -0.000301893
 O      1.959906     -0.601413      0.181049    0.00  -0.000508742   0.000160978  -0.000633223
 C      2.883632     -0.313494     -0.840595    0.00   0.000353543  -0.000207068   0.000148749
 H      2.844704     -0.990461     -1.692983    0.00   0.000106502  -0.000036342   0.000092924
 O      3.583091      0.643732     -0.626760    0.00  -0.000255823   0.000177275   0.000088895
26
 Energy =      -0.194110216342
 C     -0.375530      1.957845      0.861545    0.00  -0.000115647   0.000072730   0.000130416
 C     -1.118810      2.204073     -0.456901    0.00   0.000094060  -0.000000895  -0.000001152
 C     -1.294755      0.897299     -1.238531    0.00   0.000157686  -0.000050911   0.000063285
 C     -2.043471     -0.168415     -0.414777    0.00   0.000003951   0.000044526   0.000047474
 C     -1.370185     -0.333546      0.946117    0.00  -0.000062728   0.000081835   0.000088024
 C     -1.116385      0.934775      1.729836    0.00  -0.000247998   0.000121491   0.000082635
 H     -1.843843      1.086339     -2.180254    0.00   0.000025479  -0.000008734  -0.000001163
 H     -2.104185      2.667128     -0.258210    0.00   0.000008410   0.000003949  -0.000015998
 H     -0.560031      2.936019     -1.071793    0.00   0.000018240  -0.000006595   0.000003219
 H      0.653939      1.593420      0.655704    0.00  -0.000008314   0.000005353   0.000025738
 H     -0.254981      2.905869      1.419078    0.00  -0.000016726   0.000008443   0.000007400
 H     -3.088863      0.186569     -0.225341    0.00   0.000002742   0.000012046  -0.000002893
 H     -2.077929      1.350117      2.090842    0.00  -0.000025015   0.000010149  -0.000010008
 H     -0.529136      0.705106      2.643278    0.00  -0.000034113   0.000015999   0.000014821
 H     -0.303172      0.502423     -1.539163    0.00   0.000014781  -0.000008684   0.000020004
 O     -1.049608     -1.418896      1.392093    0.00   0.000074653   0.000155911   0.000102270
 C     -2.094550     -1.499499     -1.161747    0.00  -0.000078421   0.000016758   0.000107895
 H     -2.587009     -2.274249     -0.558462    0.00  -0.000006178   0.000004989   0.000013624
 H     -2.637835     -1.411982     -2.107752    0.00  -0.000010886   0.000000076   0.000011473
 H     -1.085030     -1.872937     -1.385278    0.00  -0.000009526  -0.000002338   0.000004450
 H      0.673176     -1.903409      0.562700    0.00  -0.000010778  -0.000008260  -0.000068567
 O      1.215808     -1.727737     -0.287825    0.00   0.000511705  -0.000566076  -0.000321492
 O      1.964865     -0.603178      0.186507    0.00  -0.000503248   0.000156912  -0.000629531
 C      2.879165     -0.310623     -0.842278    0.00   0.000362429  -0.000207945   0.000141332
 H      2.828188     -0.980136     -1.699915    0.00   0.000108673  -0.000038132   0.000089674
 O      3.585254      0.641564     -0.627815    0.00  -0.000253232   0.000187403   0.000097070
26
 Energy =      -0.194065332756
 C     -0.374069      1.956930      0.859892    0.00  -0.000119127   0.000073602   0.000132503
 C     -1.119993      2.204089     -0.456864    0.00   0.000095989  -0.000001402  -0.000003021
 C     -1.296731      0.897944     -1.239329    0.00   0.000158190  -0.000052956   0.000064030
 C     -2.043494     -0.168976     -0.415388    0.00  -0.000000349   0.000046382   0.000049409
 C     -1.369352     -0.334596      0.945009    0.00  -0.000069517   0.000085386   0.000091493
 C     -1.113233      0.933225      1.728794    0.00  -0.000257558   0.000126559   0.000084906
 H     -1.847574      1.087609     -2.179913    0.00   0.000025721  -0.000008962  -0.000001268
 H     -2.105238      2.666416     -0.255812    0.00   0.000008631   0.000004222  -0.000016570
 H     -0.562844      2.936942     -1.072138    0.00   0.000018784  -0.000006948   0.000003054
 H      0.655001      1.592692      0.651853    0.00  -0.000008602   0.000005176   0.000026330
 H     -0.252474      2.904547      1.417908    0.00  -0.000017004   0.000008619   0.000007424
 H     -3.089150      0.184711     -0.224941    0.00   0.000002452   0.000012513  -0.000002943
 H     -2.073919      1.348466      2.092267    0.00  -0.000025916   0.000010800  -0.000010337
 H     -0.524097      0.702720      2.640825    0.00  -0.000035328   0.000016582   0.000015313
 H     -0.305521      0.503816     -1.542088    0.00   0.000014787  -0.000009133   0.000020295
 O     -1.050276     -1.420370      1.391101    0.00   0.000067540   0.000161420   0.000108111
 C     -2.093522     -1.499709     -1.163124    0.00  -0.000085783   0.000017068   0.000112761
 H     -2.586017     -2.274988     -0.560542    0.00  -0.000006952   0.000005219   0.000014168
 H     -2.636155     -1.411987     -2.109466    0.00  -0.000011514   0.000000037   0.000011864
 H     -1.083614     -1.872565     -1.385957    0.00  -0.000010240  -0.000002553   0.000004866
 H      0.675889     -1.902622      0.569895    0.00  -0.000011556  -0.000007472  -0.000071006
 O      1.210931     -1.722116     -0.284346    0.00   0.000532798  -0.000585962  -0.000340978
 O      1.969668     -0.604866      0.191845    0.00  -0.000497286   0.000153052  -0.000625734
 C      2.874674     -0.307795     -0.843843    0.00   0.000371073  -0.000208679   0.000133930
 H      2.811765     -0.969921     -1.706421    0.00   0.000110694  -0.000039846   0.000086433
 O      3.587351      0.639351     -0.628923    0.00  -0.000249927   0.000197276   0.000104969
26
 Energy =      -0.194019651596
 C     -0.372590      1.956021      0.858242    0.00  -0.000122587   0.000074351   0.000134604
 C     -1.121179      2.204111     -0.456804    0.00   0.000097893  -0.000001958  -0.000004881
 C     -1.298678      0.898603     -1.240122    0.00   0.000158675  -0.000055029   0.000064758
 C     -2.043463     -0.169550     -0.416012    0.00  -0.000004722   0.000048189   0.000051302
 C     -1.368450     -0.335669      0.943879    0.00  -0.000076355   0.000088814   0.000094895
 C     -1.110018      0.931641      1.727742    0.00  -0.000267088   0.000131469   0.000087184
 H     -1.851275      1.088888     -2.179564    0.00   0.000025966  -0.000009190  -0.000001376
 H     -2.106300      2.665674     -0.253375    0.00   0.000008846   0.000004493  -0.000017137
 H     -0.565687      2.937898     -1.072450    0.00   0.000019326  -0.000007303   0.000002887
 H      0.656083      1.592004      0.647984    0.00  -0.000008888   0.000004991   0.000026919
 H     -0.249970      2.903222      1.416755    0.00  -0.000017282   0.000008781   0.000007454
 H     -3.089386      0.182817     -0.224541    0.00   0.000002155   0.000012981  -0.000002994
 H     -2.069842      1.346748      2.093711    0.00  -0.000026815   0.000011439  -0.000010660
 H     -0.518971      0.700295      2.638338    0.00  -0.000036537   0.000017146   0.000015807
 H     -0.307833      0.505252     -1.545004    0.00   0.000014793  -0.000009590   0.000020585
 O     -1.050867     -1.421868      1.390073    0.00   0.000060409   0.000166770   0.000113842
 C     -2.092421     -1.499918     -1.164536    0.00  -0.000093241   0.000017357   0.000117532
 H     -2.584926     -2.275746     -0.562663    0.00  -0.000007773   0.000005457   0.000014682
 H     -2.634414     -1.411986     -2.111205    0.00  -0.000012110   0.000000010   0.000012226
 H     -1.082121     -1.872166     -1.386688    0.00  -0.000010958  -0.000002792   0.000005316
 H      0.678692     -1.901932      0.577188    0.00  -0.000012348  -0.000006619  -0.000073266
 O      1.205945     -1.716420     -0.280743    0.00   0.000553428  -0.000605266  -0.000360218
 O      1.974318     -0.606482      0.197067    0.00  -0.000490852   0.000149431  -0.000621764
 C      2.870164     -0.305010     -0.845294    0.00   0.000379425  -0.000209286   0.000126548
 H      2.795444     -0.959815     -1.712516    0.00   0.000112556  -0.000041479   0.000083215
 O      3.589379      0.637098     -0.630081    0.00  -0.000245915   0.000206831   0.000112538
26
 Energy =      -0.193973182155
 C     -0.371095      1.955119      0.856595    0.00  -0.000126035   0.000074983   0.000136721
 C     -1.122368      2.204140     -0.456722    0.00   0.000099766  -0.000002560  -0.000006726
 C     -1.300597      0.899276     -1.240909    0.00   0.000159139  -0.000057129   0.000065455
 C     -2.043380     -0.170135     -0.416648    0.00  -0.000009170   0.000049951   0.000053151
 C     -1.367481     -0.336764      0.942727    0.00  -0.000083178   0.000092117   0.000098192
 C     -1.106743      0.930026      1.726680    0.00  -0.000276575   0.000136184   0.000089459
 H     -1.854948      1.090177     -2.179204    0.00   0.000026213  -0.000009415  -0.000001488
 H     -2.107371      2.664905     -0.250900    0.00   0.000009058   0.000004759  -0.000017700
 H     -0.568562      2.938885     -1.072730    0.00   0.000019862  -0.000007659   0.000002721
 H      0.657184      1.591357      0.644097    0.00  -0.000009170   0.000004797   0.000027507
 H     -0.247469      2.901898      1.415617    0.00  -0.000017561   0.000008932   0.000007488
 H     -3.089573      0.180887     -0.224142    0.00   0.000001855   0.000013448  -0.000003043
 H     -2.065701      1.344968      2.095176    0.00  -0.000027712   0.000012061  -0.000010979
 H     -0.513762      0.697833      2.635818    0.00  -0.000037741   0.000017687   0.000016301
 H     -0.310110      0.506731     -1.547913    0.00   0.000014798  -0.000010051   0.000020879
 O     -1.051383     -1.423389      1.389012    0.00   0.000053397   0.000171933   0.000119361
 C     -2.091248     -1.500127     -1.165980    0.00  -0.000100814   0.000017631   0.000122187
 H     -2.583732     -2.276526     -0.564820    0.00  -0.000008645   0.000005701   0.000015166
 H     -2.632620     -1.411983     -2.112966    0.00  -0.000012677  -0.000000005   0.000012552
 H     -1.080550     -1.871739     -1.387474    0.00  -0.000011681  -0.000003051   0.000005800
 H      0.681576     -1.901340      0.584557    0.00  -0.000013144  -0.000005711  -0.000075328
 O      1.200860     -1.710656     -0.277023    0.00   0.000573482  -0.000623881  -0.000379087
 O      1.978817     -0.608032      0.202175    0.00  -0.000483945   0.000146067  -0.000617552
 C      2.865637     -0.302268     -0.846636    0.00   0.000387439  -0.000209764   0.000119213
 H      2.779237     -0.949820     -1.718219    0.00   0.000114252  -0.000043026   0.000080029
 O      3.591334      0.634807     -0.631283    0.00  -0.000241213   0.000216002   0.000119720
26
 Energy =      -0.193925941027
 C     -0.369584      1.954225      0.854949    0.00  -0.000129473   0.000075494   0.000138854
 C     -1.123560      2.204177     -0.456620    0.00   0.000101608  -0.000003206  -0.000008554
 C     -1.302491      0.899963     -1.241692    0.00   0.000159579  -0.000059243   0.000066123
 C     -2.043245     -0.170732     -0.417295    0.00  -0.000013682   0.000051664   0.000054943
 C     -1.366447     -0.337879      0.941556    0.00  -0.000089953   0.000095267   0.000101353
 C     -1.103409      0.928383      1.725609    0.00  -0.000286005   0.000140684   0.000091718
 H     -1.858596      1.091476     -2.178835    0.00   0.000026460  -0.000009639  -0.000001603
 H     -2.108450      2.664109     -0.248387    0.00   0.000009266   0.000005022  -0.000018256
 H     -0.571467      2.939904     -1.072978    0.00   0.000020393  -0.000008014   0.000002556
 H      0.658303      1.590749      0.640192    0.00  -0.000009450   0.000004597   0.000028093
 H     -0.244969      2.900575      1.414492    0.00  -0.000017844   0.000009069   0.000007531
 H     -3.089710      0.178921     -0.223743    0.00   0.000001549   0.000013913  -0.000003091
 H     -2.061496      1.343128      2.096658    0.00  -0.000028607   0.000012662  -0.000011293
 H     -0.508471      0.695339      2.633264    0.00  -0.000038935   0.000018207   0.000016794
 H     -0.312353      0.508252     -1.550815    0.00   0.000014801  -0.000010518   0.000021172
 O     -1.051829     -1.424931      1.387920    0.00   0.000046661   0.000176890   0.000124572
 C     -2.090003     -1.500336     -1.167455    0.00  -0.000108522   0.000017896   0.000126704
 H     -2.582430     -2.277328     -0.567009    0.00  -0.000009568   0.000005955   0.000015615
 H     -2.630777     -1.411979     -2.114743    0.00  -0.000013216  -0.000000003   0.000012847
 H     -1.078904     -1.871280     -1.388318    0.00  -0.000012412  -0.000003333   0.000006310
 H      0.684536     -1.900851      0.591979    0.00  -0.000013934  -0.000004753  -0.000077177
 O      1.195681     -1.704831     -0.273192    0.00   0.000592848  -0.000641709  -0.000397459
 O      1.983167     -0.609521      0.207173    0.00  -0.000476574   0.000142966  -0.000613039
 C      2.861095     -0.299568     -0.847873    0.00   0.000395073  -0.000210115   0.000111930
 H      2.763149     -0.939933     -1.723546    0.00   0.000115776  -0.000044485   0.000076885
 O      3.593213      0.632483     -0.632524    0.00  -0.000235840   0.000224732   0.000126470
26
 Energy =      -0.193877951588
 C     -0.368056      1.953339      0.853303    0.00  -0.000132908   0.000075888   0.000141008
 C     -1.124754      2.204220     -0.456499    0.00   0.000103409  -0.000003889  -0.000010362
 C     -1.304360      0.900663     -1.242470    0.00   0.000159996  -0.000061368   0.000066756
 C     -2.043059     -0.171338     -0.417953    0.00  -0.000018259   0.000053330   0.000056667
 C     -1.365351     -0.339013      0.940367    0.00  -0.000096618   0.000098246   0.000104348
 C     -1.100018      0.926715      1.724529    0.00  -0.000295369   0.000144954   0.000093957
 H     -1.862221      1.092784     -2.178455    0.00   0.000026709  -0.000009861  -0.000001719
 H     -2.109536      2.663287     -0.245837    0.00   0.000009467   0.000005280  -0.000018808
 H     -0.574402      2.940953     -1.073196    0.00   0.000020922  -0.000008369   0.000002392
 H      0.659440      1.590179      0.636267    0.00  -0.000009727   0.000004394   0.000028677
 H     -0.242468      2.899254      1.413379    0.00  -0.000018130   0.000009192   0.000007580
 H     -3.089800      0.176921     -0.223346    0.00   0.000001240   0.000014382  -0.000003134
 H     -2.057228      1.341233      2.098158    0.00  -0.000029500   0.000013237  -0.000011604
 H     -0.503101      0.692815      2.630677    0.00  -0.000040124   0.000018699   0.000017286
 H     -0.314564      0.509816     -1.553712    0.00   0.000014803  -0.000010989   0.000021464
 O     -1.052210     -1.426491      1.386801    0.00   0.000040334   0.000181626   0.000129382
 C     -2.088687     -1.500544     -1.168958    0.00  -0.000116388   0.000018161   0.000131062
 H     -2.581017     -2.278152     -0.569223    0.00  -0.000010543   0.000006217   0.000016029
 H     -2.628891     -1.411977     -2.116533    0.00  -0.000013731   0.000000014   0.000013108
 H     -1.077183     -1.870787     -1.389221    0.00  -0.000013155  -0.000003635   0.000006848
 H      0.687563     -1.900465      0.599432    0.00  -0.000014710  -0.000003760  -0.000078800
 O      1.190418     -1.698951     -0.269257    0.00   0.000611422  -0.000658663  -0.000415224
 O      1.987373     -0.610955      0.212063    0.00  -0.000468728   0.000140150  -0.000608165
 C      2.856542     -0.296909     -0.849010    0.00   0.000402299  -0.000210346   0.000104721
 H      2.747188     -0.930152     -1.728513    0.00   0.000117122  -0.000045854   0.000073790
 O      3.595015      0.630131     -0.633800    0.00  -0.000229835   0.000232964   0.000132743
26
 Energy =      -0.193829243382
 C     -0.366512      1.952462      0.851657    0.00  -0.000136345   0.000076171   0.000143187
 C     -1.125951      2.204271     -0.456358    0.00   0.000105176  -0.000004609  -0.000012150
 C     -1.306206      0.901377     -1.243244    0.00   0.000160390  -0.000063497   0.000067344
 C     -2.042824     -0.171955     -0.418621    0.00  -0.000022895   0.000054950   0.000058321
 C     -1.364195     -0.340162      0.939162    0.00  -0.000103144   0.000101044   0.000107159
 C     -1.096569      0.925023      1.723439    0.00  -0.000304672   0.000148972   0.000096166
 H     -1.865825      1.094102     -2.178064    0.00   0.000026961  -0.000010077  -0.000001841
 H     -2.110630      2.662441     -0.243251    0.00   0.000009665   0.000005534  -0.000019355
 H     -0.577367      2.942033     -1.073386    0.00   0.000021444  -0.000008724   0.000002232
 H      0.660595      1.589648      0.632321    0.00  -0.000010002   0.000004186   0.000029261
 H     -0.239964      2.897937      1.412275    0.00  -0.000018424   0.000009301   0.000007639
 H     -3.089844      0.174885     -0.222949    0.00   0.000000930   0.000014849  -0.000003172
 H     -2.052895      1.339288      2.099677    0.00  -0.000030391   0.000013785  -0.000011916
 H     -0.497650      0.690264      2.628057    0.00  -0.000041306   0.000019169   0.000017775
 H     -0.316746      0.511424     -1.556606    0.00   0.000014804  -0.000011463   0.000021757
 O     -1.052533     -1.428068      1.385659    0.00   0.000034566   0.000186127   0.000133692
 C     -2.087298     -1.500753     -1.170489    0.00  -0.000124431   0.000018435   0.000135248
 H     -2.579487     -2.278999     -0.571460    0.00  -0.000011570   0.000006489   0.000016408
 H     -2.626964     -1.411978     -2.118331    0.00  -0.000014225   0.000000049   0.000013337
 H     -1.075385     -1.870259     -1.390187    0.00  -0.000013910  -0.000003959   0.000007408
 H      0.690648     -1.900182      0.606895    0.00  -0.000015461  -0.000002736  -0.000080186
 O      1.185076     -1.693022     -0.265226    0.00   0.000629113  -0.000674667  -0.000432276
 O      1.991438     -0.612338      0.216848    0.00  -0.000460413   0.000137608  -0.000602890
 C      2.851978     -0.294291     -0.850051    0.00   0.000409077  -0.000210462   0.000097599
 H      2.731358     -0.920473     -1.733137    0.00   0.000118289  -0.000047133   0.000070749
 O      3.596738      0.627753     -0.635107    0.00  -0.000223225   0.000240659   0.000138505
26
 Energy =      -0.193779851357
 C     -0.364950      1.951595      0.850009    0.00  -0.000139793   0.000076339   0.000145398
 C     -1.127151      2.204330     -0.456199    0.00   0.000106907  -0.000005358  -0.000013917
 C     -1.308031      0.902106     -1.244013    0.00   0.000160765  -0.000065626   0.000067889
 C     -2.042538     -0.172581     -0.419299    0.00  -0.000027589   0.000056525   0.000059901
 C     -1.362981     -0.341326      0.937943    0.00  -0.000109479   0.000103647   0.000109753
 C     -1.093063      0.923311      1.722339    0.00  -0.000313912   0.000152730   0.000098342
 H     -1.869413      1.095430     -2.177661    0.00   0.000027214  -0.000010290  -0.000001965
 H     -2.111730      2.661570     -0.240629    0.00   0.000009858   0.000005784  -0.000019896
 H     -0.580363      2.943143     -1.073549    0.00   0.000021964  -0.000009079   0.000002073
 H      0.661767      1.589153      0.628352    0.00  -0.000010276   0.000003976   0.000029846
 H     -0.237454      2.896624      1.411177    0.00  -0.000018727   0.000009399   0.000007707
 H     -3.089842      0.172813     -0.222555    0.00   0.000000617   0.000015319  -0.000003203
 H     -2.048498      1.337296      2.101214    0.00  -0.000031282   0.000014304  -0.000012230
 H     -0.492118      0.687689      2.625402    0.00  -0.000042484   0.000019613   0.000018260
 H     -0.318901      0.513074     -1.559498    0.00   0.000014802  -0.000011939   0.000022048
 O     -1.052805     -1.429661      1.384499    0.00   0.000029478   0.000190383   0.000137426
 C     -2.085837     -1.500961     -1.172044    0.00  -0.000132667   0.000018723   0.000139249
 H     -2.577835     -2.279871     -0.573715    0.00  -0.000012649   0.000006771   0.000016750
 H     -2.624999     -1.411985     -2.120134    0.00  -0.000014702   0.000000104   0.000013533
 H     -1.073510     -1.869692     -1.391216    0.00  -0.000014683  -0.000004303   0.000007987
 H      0.693783     -1.900002      0.614349    0.00  -0.000016180  -0.000001692  -0.000081327
 O      1.179662     -1.687049     -0.261105    0.00   0.000645841  -0.000689655  -0.000448520
 O      1.995365     -0.613676      0.221529    0.00  -0.000451635   0.000135338  -0.000597170
 C      2.847407     -0.291710     -0.851001    0.00   0.000415390  -0.000210466   0.000090572
 H      2.715663     -0.910892     -1.737434    0.00   0.000119275  -0.000048320   0.000067768
 O      3.598380      0.625354     -0.636439    0.00  -0.000216052   0.000247775   0.000143728
26
 Energy =      -0.193729815045
 C     -0.363369      1.950738      0.848357    0.00  -0.000143259   0.000076399   0.000147646
 C     -1.128355      2.204397     -0.456021    0.00   0.000108605  -0.000006135  -0.000015665
 C     -1.309836      0.902848     -1.244778    0.00   0.000161121  -0.000067750   0.000068386
 C     -2.042203     -0.173217     -0.419985    0.00  -0.000032332   0.000058059   0.000061400
 C     -1.361714     -0.342504      0.936712    0.00  -0.000115611   0.000106059   0.000112115
 C     -1.089499      0.921581      1.721230    0.00  -0.000323106   0.000156227   0.000100479
 H     -1.872988      1.096768     -2.177246    0.00   0.000027468  -0.000010500  -0.000002093
 H     -2.112837      2.660675     -0.237970    0.00   0.000010050   0.000006030  -0.000020435
 H     -0.583391      2.944282     -1.073685    0.00   0.000022481  -0.000009433   0.000001918
 H      0.662956      1.588694      0.624357    0.00  -0.000010548   0.000003767   0.000030431
 H     -0.234936      2.895315      1.410083    0.00  -0.000019039   0.000009481   0.000007786
 H     -3.089795      0.170705     -0.222164    0.00   0.000000305   0.000015791  -0.000003226
 H     -2.044033      1.335261      2.102771    0.00  -0.000032172   0.000014788  -0.000012548
 H     -0.486505      0.685091      2.622712    0.00  -0.000043659   0.000020031   0.000018742
 H     -0.321032      0.514768     -1.562392    0.00   0.000014800  -0.000012417   0.000022340
 O     -1.053034     -1.431268      1.383325    0.00   0.000025204   0.000194381   0.000140507
 C     -2.084300     -1.501170     -1.173623    0.00  -0.000141115   0.000019028   0.000143058
 H     -2.576057     -2.280769     -0.575984    0.00  -0.000013780   0.000007063   0.000017056
 H     -2.622997     -1.412001     -2.121939    0.00  -0.000015166   0.000000179   0.000013699
 H     -1.071556     -1.869085     -1.392311    0.00  -0.000015474  -0.000004668   0.000008582
 H      0.696958     -1.899925      0.621775    0.00  -0.000016858  -0.000000639  -0.000082220
 O      1.174184     -1.681039     -0.256901    0.00   0.000661543  -0.000703566  -0.000463871
 O      1.999158     -0.614974      0.226109    0.00  -0.000442391   0.000133320  -0.000590987
 C      2.842828     -0.289167     -0.851863    0.00   0.000421207  -0.000210370   0.000083658
 H      2.700107     -0.901407     -1.741420    0.00   0.000120079  -0.000049417   0.000064848
 O      3.599940      0.622937     -0.637793    0.00  -0.000208353   0.000254290   0.000148391
26
 Energy =      -0.193679177614
 C     -0.361769      1.949890      0.846700    0.00  -0.000146752   0.000076355   0.000149935
 C     -1.129564      2.204472     -0.455827    0.00   0.000110277  -0.000006936  -0.000017391
 C     -1.311624      0.903605     -1.245538    0.00   0.000161464  -0.000069867   0.000068829
 C     -2.041820     -0.173861     -0.420679    0.00  -0.000037125   0.000059551   0.000062824
 C     -1.360394     -0.343692      0.935471    0.00  -0.000121496   0.000108272   0.000114227
 C     -1.085875      0.919834      1.720111    0.00  -0.000332260   0.000159459   0.000102575
 H     -1.876553      1.098115     -2.176817    0.00   0.000027725  -0.000010702  -0.000002225
 H     -2.113951      2.659757     -0.235273    0.00   0.000010238   0.000006274  -0.000020970
 H     -0.586453      2.945451     -1.073796    0.00   0.000022994  -0.000009787   0.000001768
 H      0.664162      1.588269      0.620333    0.00  -0.000010820   0.000003556   0.000031021
 H     -0.232405      2.894011      1.408991    0.00  -0.000019363   0.000009552   0.000007876
 H     -3.089705      0.168558     -0.221775    0.00  -0.000000005   0.000016266  -0.000003241
 H     -2.039498      1.333187      2.104348    0.00  -0.000033066   0.000015239  -0.000012872
 H     -0.480806      0.682472      2.619985    0.00  -0.000044836   0.000020427   0.000019223
 H     -0.323141      0.516506     -1.565289    0.00   0.000014798  -0.000012897   0.000022630
 O     -1.053229     -1.432888      1.382142    0.00   0.000021839   0.000198116   0.000142869
 C     -2.082687     -1.501380     -1.175224    0.00  -0.000149789   0.000019358   0.000146669
 H     -2.574147     -2.281694     -0.578266    0.00  -0.000014961   0.000007366   0.000017326
 H     -2.620958     -1.412028     -2.123745    0.00  -0.000015620   0.000000275   0.000013836
 H     -1.069522     -1.868436     -1.393471    0.00  -0.000016285  -0.000005050   0.000009189
 H      0.700165     -1.899948      0.629154    0.00  -0.000017484   0.000000424  -0.000082871
 O      1.168645     -1.674994     -0.252621    0.00   0.000676155  -0.000716373  -0.000478250
 O      2.002819     -0.616235      0.230591    0.00  -0.000432690   0.000131537  -0.000584305
 C      2.838245     -0.286658     -0.852643    0.00   0.000426530  -0.000210166   0.000076855
 H      2.684692     -0.892011     -1.745110    0.00   0.000120703  -0.000050425   0.000061996
 O      3.601418      0.620505     -0.639165    0.00  -0.000200170   0.000260179   0.000152475
26
 Energy =      -0.193627984951
 C     -0.360148      1.949053      0.845035    0.00  -0.000150276   0.000076214   0.000152277
 C     -1.130777      2.204555     -0.455616    0.00   0.000111923  -0.000007760  -0.000019100
 C     -1.313396      0.904377     -1.246296    0.00   0.000161795  -0.000071970   0.000069221
 C     -2.041388     -0.174515     -0.421381    0.00  -0.000041964   0.000061007   0.000064165
 C     -1.359026     -0.344891      0.934221    0.00  -0.000127116   0.000110276   0.000116084
 C     -1.082191      0.918072      1.718981    0.00  -0.000341394   0.000162429   0.000104630
 H     -1.880112      1.099472     -2.176375    0.00   0.000027984  -0.000010900  -0.000002360
 H     -2.115073      2.658815     -0.232538    0.00   0.000010425   0.000006516  -0.000021503
 H     -0.589550      2.946651     -1.073883    0.00   0.000023507  -0.000010141   0.000001622
 H      0.665387      1.587878      0.616277    0.00  -0.000011093   0.000003345   0.000031615
 H     -0.229859      2.892713      1.407897    0.00  -0.000019699   0.000009609   0.000007977
 H     -3.089573      0.166372     -0.221391    0.00  -0.000000314   0.000016745  -0.000003245
 H     -2.034889      1.331076      2.105949    0.00  -0.000033963   0.000015654  -0.000013206
 H     -0.475020      0.679834      2.617219    0.00  -0.000046014   0.000020800   0.000019700
 H     -0.325230      0.518290     -1.568191    0.00   0.000014794  -0.000013378   0.000022920
 O     -1.053397     -1.434521      1.380955    0.00   0.000019476   0.000201597   0.000144452
 C     -2.080995     -1.501592     -1.176846    0.00  -0.000158702   0.000019714   0.000150078
 H     -2.572100     -2.282647     -0.580556    0.00  -0.000016189   0.000007680   0.000017564
 H     -2.618884     -1.412069     -2.125548    0.00  -0.000016070   0.000000390   0.000013945
 H     -1.067404     -1.867742     -1.394699    0.00  -0.000017118  -0.000005451   0.000009805
 H      0.703395     -1.900069      0.636471    0.00  -0.000018054   0.000001481  -0.000083270
 O      1.163054     -1.668921     -0.248271    0.00   0.000689647  -0.000728040  -0.000491606
 O      2.006351     -0.617464      0.234977    0.00  -0.000422522   0.000129969  -0.000577136
 C      2.833658     -0.284182     -0.853343    0.00   0.000431339  -0.000209868   0.000070192
 H      2.669421     -0.882701     -1.748517    0.00   0.000121151  -0.000051345   0.000059204
 O      3.602813      0.618062     -0.640550    0.00  -0.000191552   0.000265429   0.000155975
26
 Energy =      -0.193576284639
 C     -0.358504      1.948225      0.843360    0.00  -0.000153841   0.000075973   0.000154672
 C     -1.131996      2.204646     -0.455388    0.00   0.000113555  -0.000008598  -0.000020793
 C     -1.315154      0.905164     -1.247049    0.00   0.000162121  -0.000074057   0.000069560
 C     -2.040908     -0.175178     -0.422091    0.00  -0.000046852   0.000062430   0.000065424
 C     -1.357611     -0.346098      0.932966    0.00  -0.000132455   0.000112066   0.000117678
 C     -1.078444      0.916297      1.717840    0.00  -0.000350524   0.000165144   0.000106647
 H     -1.883667      1.100840     -2.175917    0.00   0.000028246  -0.000011093  -0.000002500
 H     -2.116202      2.657849     -0.229762    0.00   0.000010611   0.000006755  -0.000022036
 H     -0.592685      2.947880     -1.073946    0.00   0.000024020  -0.000010496   0.000001481
 H      0.666629      1.587519      0.612185    0.00  -0.000011366   0.000003135   0.000032214
 H     -0.227294      2.891420      1.406800    0.00  -0.000020048   0.000009654   0.000008092
 H     -3.089399      0.164144     -0.221012    0.00  -0.000000621   0.000017228  -0.000003241
 H     -2.030203      1.328933      2.107574    0.00  -0.000034868   0.000016033  -0.000013551
 H     -0.469143      0.677176      2.614414    0.00  -0.000047200   0.000021153   0.000020177
 H     -0.327303      0.520119     -1.571101    0.00   0.000014790  -0.000013861   0.000023209
 O     -1.053549     -1.436164      1.379771    0.00   0.000018189   0.000204830   0.000145212
 C     -2.079221     -1.501805     -1.178487    0.00  -0.000167859   0.000020102   0.000153290
 H     -2.569911     -2.283631     -0.582854    0.00  -0.000017466   0.000008004   0.000017767
 H     -2.616772     -1.412126     -2.127347    0.00  -0.000016518   0.000000527   0.000014030
 H     -1.065200     -1.867001     -1.395994    0.00  -0.000017976  -0.000005868   0.000010427
 H      0.706637     -1.900287      0.643708    0.00  -0.000018558   0.000002531  -0.000083430
 O      1.157414     -1.662822     -0.243858    0.00   0.000701990  -0.000738555  -0.000503886
 O      2.009758     -0.618665      0.239267    0.00  -0.000411893   0.000128584  -0.000569468
 C      2.829067     -0.281737     -0.853968    0.00   0.000435638  -0.000209477   0.000063659
 H      2.654294     -0.873474     -1.751656    0.00   0.000121423  -0.000052181   0.000056478
 O      3.604124      0.615610     -0.641946    0.00  -0.000182540   0.000270035   0.000158888
26
 Energy =      -0.193524124947
 C     -0.356836      1.947408      0.841674    0.00  -0.000157449   0.000075640   0.000157133
 C     -1.133222      2.204746     -0.455144    0.00   0.000115176  -0.000009447  -0.000022473
 C     -1.316900      0.905966     -1.247799    0.00   0.000162444  -0.000076132   0.000069843
 C     -2.040379     -0.175850     -0.422808    0.00  -0.000051780   0.000063828   0.000066606
 C     -1.356153     -0.347313      0.931706    0.00  -0.000137506   0.000113664   0.000119006
 C     -1.074633      0.914509      1.716688    0.00  -0.000359676   0.000167612   0.000108627
 H     -1.887224      1.102219     -2.175443    0.00   0.000028511  -0.000011279  -0.000002643
 H     -2.117338      2.656858     -0.226943    0.00   0.000010798   0.000006995  -0.000022570
 H     -0.595861      2.949141     -1.073987    0.00   0.000024534  -0.000010851   0.000001343
 H      0.667891      1.587192      0.608054    0.00  -0.000011642   0.000002924   0.000032821
 H     -0.224706      2.890133      1.405696    0.00  -0.000020410   0.000009687   0.000008218
 H     -3.089184      0.161873     -0.220638    0.00  -0.000000926   0.000017715  -0.000003226
 H     -2.025435      1.326759      2.109226    0.00  -0.000035781   0.000016380  -0.000013910
 H     -0.463169      0.674500      2.611565    0.00  -0.000048397   0.000021486   0.000020653
 H     -0.329361      0.521995     -1.574021    0.00   0.000014786  -0.000014344   0.000023498
 O     -1.053693     -1.437818      1.378595    0.00   0.000018038   0.000207804   0.000145118
 C     -2.077363     -1.502021     -1.180147    0.00  -0.000177271   0.000020520   0.000156303
 H     -2.567573     -2.284645     -0.585157    0.00  -0.000018785   0.000008338   0.000017940
 H     -2.614622     -1.412201     -2.129140    0.00  -0.000016969   0.000000684   0.000014092
 H     -1.062906     -1.866211     -1.397357    0.00  -0.000018858  -0.000006299   0.000011051
 H      0.709884     -1.900597      0.650851    0.00  -0.000018995   0.000003564  -0.000083352
 O      1.151731     -1.656703     -0.239389    0.00   0.000713184  -0.000747909  -0.000515059
 O      2.013041     -0.619840      0.243463    0.00  -0.000400804   0.000127353  -0.000561318
 C      2.824475     -0.279321     -0.854520    0.00   0.000439425  -0.000209001   0.000057271
 H      2.639315     -0.864325     -1.754539    0.00   0.000121525  -0.000052932   0.000053817
 O      3.605353      0.613153     -0.643347    0.00  -0.000173173   0.000274001   0.000161212
26
 Energy =      -0.193471553882
 C     -0.355143      1.946601      0.839975    0.00  -0.000161107   0.000075217   0.000159660
 C     -1.134455      2.204855     -0.454883    0.00   0.000116796  -0.000010307  -0.000024146
 C     -1.318636      0.906783     -1.248546    0.00   0.000162767  -0.000078183   0.000070072
 C     -2.039801     -0.176531     -0.423531    0.00  -0.000056752   0.000065199   0.000067707
 C     -1.354654     -0.348535      0.930443    0.00  -0.000142260   0.000115057   0.000120067
 C     -1.070753      0.912711      1.715525    0.00  -0.000368869   0.000169849   0.000110573
 H     -1.890785      1.103608     -2.174953    0.00   0.000028780  -0.000011461  -0.000002791
 H     -2.118483      2.655842     -0.224081    0.00   0.000010986   0.000007235  -0.000023104
 H     -0.599079      2.950433     -1.074006    0.00   0.000025052  -0.000011208   0.000001211
 H      0.669172      1.586896      0.603878    0.00  -0.000011920   0.000002712   0.000033437
 H     -0.222092      2.888852      1.404583    0.00  -0.000020787   0.000009708   0.000008359
 H     -3.088928      0.159557     -0.220272    0.00  -0.000001228   0.000018208  -0.000003201
 H     -2.020580      1.324558      2.110907    0.00  -0.000036706   0.000016692  -0.000014285
 H     -0.457095      0.671805      2.608671    0.00  -0.000049607   0.000021804   0.000021132
 H     -0.331408      0.523920     -1.576953    0.00   0.000014782  -0.000014829   0.000023786
 O     -1.053840     -1.439481      1.377431    0.00   0.000019053   0.000210538   0.000144150
 C     -2.075418     -1.502239     -1.181825    0.00  -0.000186939   0.000020975   0.000159126
 H     -2.565083     -2.285692     -0.587463    0.00  -0.000020146   0.000008682   0.000018085
 H     -2.612431     -1.412297     -2.130927    0.00  -0.000017425   0.000000859   0.000014132
 H     -1.060519     -1.865370     -1.398788    0.00  -0.000019767  -0.000006745   0.000011675
 H      0.713124     -1.900998      0.657887    0.00  -0.000019360   0.000004578  -0.000083047
 O      1.146010     -1.650567     -0.234869    0.00   0.000723233  -0.000756115  -0.000525102
 O      2.016202     -0.620992      0.247568    0.00  -0.000389259   0.000126234  -0.000552697
 C      2.819882     -0.276933     -0.855004    0.00   0.000442710  -0.000208435   0.000051027
 H      2.624484     -0.855252     -1.757178    0.00   0.000121463  -0.000053602   0.000051216
 O      3.606498      0.610693     -0.644751    0.00  -0.000163491   0.000277337   0.000162957
26
 Energy =      -0.193418618208
 C     -0.353423      1.945805      0.838260    0.00  -0.000164819   0.000074708   0.000162259
 C     -1.135697      2.204972     -0.454606    0.00   0.000118418  -0.000011167  -0.000025808
 C     -1.320364      0.907616     -1.249290    0.00   0.000163094  -0.000080217   0.000070249
 C     -2.039175     -0.177222     -0.424262    0.00  -0.000061765   0.000066550   0.000068731
 C     -1.353115     -0.349762      0.929180    0.00  -0.000146724   0.000116261   0.000120870
 C     -1.066802      0.910902      1.714349    0.00  -0.000378128   0.000171869   0.000112497
 H     -1.894354      1.105009     -2.174444    0.00   0.000029052  -0.000011636  -0.000002942
 H     -2.119637      2.654800     -0.221173    0.00   0.000011174   0.000007475  -0.000023643
 H     -0.602343      2.951757     -1.074004    0.00   0.000025575  -0.000011566   0.000001082
 H      0.670473      1.586630      0.599655    0.00  -0.000012200   0.000002499   0.000034063
 H     -0.219447      2.887577      1.403459    0.00  -0.000021175   0.000009717   0.000008512
 H     -3.088633      0.157193     -0.219913    0.00  -0.000001526   0.000018707  -0.000003165
 H     -2.015632      1.322332      2.112622    0.00  -0.000037645   0.000016973  -0.000014679
 H     -0.450914      0.669092      2.605729    0.00  -0.000050836   0.000022107   0.000021611
 H     -0.333445      0.525894     -1.579900    0.00   0.000014778  -0.000015313   0.000024073
 O     -1.053999     -1.441153      1.376287    0.00   0.000021261   0.000213034   0.000142295
 C     -2.073383     -1.502461     -1.183521    0.00  -0.000196864   0.000021462   0.000161766
 H     -2.562434     -2.286773     -0.589771    0.00  -0.000021546   0.000009035   0.000018202
 H     -2.610198     -1.412417     -2.132705    0.00  -0.000017891   0.000001054   0.000014155
 H     -1.058035     -1.864477     -1.400288    0.00  -0.000020702  -0.000007203   0.000012296
 H      0.716351     -1.901486      0.664802    0.00  -0.000019650   0.000005572  -0.000082526
 O      1.140256     -1.644418     -0.230305    0.00   0.000732155  -0.000763194  -0.000534007
 O      2.019242     -0.622123      0.251582    0.00  -0.000377255   0.000125197  -0.000543629
 C      2.815289     -0.274572     -0.855421    0.00   0.000445514  -0.000207781   0.000044927
 H      2.609804     -0.846251     -1.759584    0.00   0.000121240  -0.000054193   0.000048675
 O      3.607559      0.608233     -0.646155    0.00  -0.000153539   0.000280050   0.000164134
26
 Energy =      -0.193365362565
 C     -0.351674      1.945019      0.836527    0.00  -0.000168588   0.000074114   0.000164938
 C     -1.136948      2.205097     -0.454314    0.00   0.000120056  -0.000012029  -0.000027470
 C     -1.322084      0.908466     -1.250031    0.00   0.000163429  -0.000082227   0.000070370
 C     -2.038500     -0.177923     -0.424998    0.00  -0.000066819   0.000067888   0.000069690
 C     -1.351540     -0.350994      0.927918    0.00  -0.000150903   0.000117286   0.000121417
 C     -1.062778      0.909084      1.713161    0.00  -0.000387482   0.000173690   0.000114395
 H     -1.897934      1.106421     -2.173917    0.00   0.000029329  -0.000011804  -0.000003098
 H     -2.120801      2.653730     -0.218216    0.00   0.000011366   0.000007718  -0.000024184
 H     -0.605655      2.953113     -1.073982    0.00   0.000026103  -0.000011927   0.000000957
 H      0.671795      1.586395      0.595379    0.00  -0.000012485   0.000002282   0.000034701
 H     -0.216769      2.886308      1.402319    0.00  -0.000021576   0.000009716   0.000008679
 H     -3.088299      0.154779     -0.219564    0.00  -0.000001821   0.000019213  -0.000003118
 H     -2.010587      1.320082      2.114371    0.00  -0.000038600   0.000017223  -0.000015092
 H     -0.444622      0.666361      2.602735    0.00  -0.000052086   0.000022399   0.000022096
 H     -0.335475      0.527918     -1.582864    0.00   0.000014774  -0.000015800   0.000024361
 O     -1.054178     -1.442833      1.375168    0.00   0.000024661   0.000215301   0.000139563
 C     -2.071254     -1.502687     -1.185232    0.00  -0.000207044   0.000021982   0.000164229
 H     -2.559621     -2.287888     -0.592080    0.00  -0.000022981   0.000009397   0.000018296
 H     -2.607918     -1.412561     -2.134475    0.00  -0.000018368   0.000001267   0.000014162
 H     -1.055451     -1.863530     -1.401854    0.00  -0.000021663  -0.000007672   0.000012912
 H      0.719554     -1.902058      0.671585    0.00  -0.000019863   0.000006537  -0.000081799
 O      1.134473     -1.638260     -0.225704    0.00   0.000739993  -0.000769174  -0.000541775
 O      2.022162     -0.623236      0.255506    0.00  -0.000364793   0.000124200  -0.000534153
 C      2.810697     -0.272234     -0.855775    0.00   0.000447834  -0.000207050   0.000038975
 H      2.595277     -0.837321     -1.761768    0.00   0.000120864  -0.000054707   0.000046193
 O      3.608537      0.605776     -0.647555    0.00  -0.000143336   0.000282177   0.000164758
26
 Energy =      -0.193311828647
 C     -0.349895      1.944243      0.834774    0.00  -0.000172416   0.000073436   0.000167698
 C     -1.138210      2.205231     -0.454004    0.00   0.000121712  -0.000012889  -0.000029134
 C     -1.323799      0.909331     -1.250769    0.00   0.000163774  -0.000084214   0.000070441
 C     -2.037775     -0.178634     -0.425741    0.00  -0.000071917   0.000069215   0.000070576
 C     -1.349930     -0.352230      0.926658    0.00  -0.000154808   0.000118138   0.000121731
 C     -1.058676      0.907257      1.711959    0.00  -0.000396951   0.000175333   0.000116282
 H     -1.901528      1.107844     -2.173371    0.00   0.000029608  -0.000011966  -0.000003257
 H     -2.121974      2.652633     -0.215210    0.00   0.000011562   0.000007965  -0.000024731
 H     -0.609019      2.954503     -1.073938    0.00   0.000026639  -0.000012289   0.000000836
 H      0.673139      1.586191      0.591047    0.00  -0.000012773   0.000002062   0.000035351
 H     -0.214053      2.885045      1.401163    0.00  -0.000021990   0.000009705   0.000008858
 H     -3.087926      0.152313     -0.219224    0.00  -0.000002114   0.000019724  -0.000003063
 H     -2.005437      1.317811      2.116160    0.00  -0.000039575   0.000017447  -0.000015527
 H     -0.438211      0.663610      2.599687    0.00  -0.000053363   0.000022682   0.000022587
 H     -0.337500      0.529994     -1.585846    0.00   0.000014771  -0.000016286   0.000024646
 O     -1.054389     -1.444521      1.374079    0.00   0.000029235   0.000217352   0.000135959
 C     -2.069028     -1.502917     -1.186959    0.00  -0.000217473   0.000022536   0.000166528
 H     -2.556640     -2.289040     -0.594390    0.00  -0.000024449   0.000009767   0.000018368
 H     -2.605591     -1.412733     -2.136236    0.00  -0.000018859   0.000001496   0.000014155
 H     -1.052762     -1.862527     -1.403488    0.00  -0.000022651  -0.000008152   0.000013520
 H      0.722725     -1.902710      0.678224    0.00  -0.000020000   0.000007476  -0.000080878
 O      1.128665     -1.632096     -0.221071    0.00   0.000746790  -0.000774095  -0.000548426
 O      2.024962     -0.624331      0.259341    0.00  -0.000351875   0.000123202  -0.000524299
 C      2.806107     -0.269921     -0.856067    0.00   0.000449703  -0.000206232   0.000033168
 H      2.580905     -0.828462     -1.763739    0.00   0.000120342  -0.000055147   0.000043765
 O      3.609432      0.603324     -0.648948    0.00  -0.000132923   0.000283734   0.000164847
26
 Energy =      -0.193258054482
 C     -0.348083      1.943478      0.833000    0.00  -0.000176300   0.000072681   0.000170539
 C     -1.139484      2.205374     -0.453679    0.00   0.000123396  -0.000013739  -0.000030805
 C     -1.325510      0.910213     -1.251505    0.00   0.000164130  -0.000086173   0.000070458
 C     -2.036999     -0.179356     -0.426490    0.00  -0.000077060   0.000070535   0.000071405
 C     -1.348287     -0.353470      0.925403    0.00  -0.000158461   0.000118831   0.000121819
 C     -1.054493      0.905421      1.710744    0.00  -0.000406562   0.000176817   0.000118164
 H     -1.905138      1.109278     -2.172803    0.00   0.000029892  -0.000012123  -0.000003421
 H     -2.123159      2.651506     -0.212150    0.00   0.000011761   0.000008217  -0.000025283
 H     -0.612438      2.955926     -1.073875    0.00   0.000027184  -0.000012654   0.000000719
 H      0.674506      1.586017      0.586655    0.00  -0.000013065   0.000001837   0.000036015
 H     -0.211298      2.883789      1.399987    0.00  -0.000022414   0.000009683   0.000009051
 H     -3.087514      0.149794     -0.218895    0.00  -0.000002404   0.000020242  -0.000002999
 H     -2.000178      1.315520      2.117990    0.00  -0.000040572   0.000017645  -0.000015986
 H     -0.431676      0.660839      2.596582    0.00  -0.000054669   0.000022958   0.000023085
 H     -0.339521      0.532123     -1.588848    0.00   0.000014769  -0.000016774   0.000024932
 O     -1.054639     -1.446215      1.373026    0.00   0.000034953   0.000219195   0.000131514
 C     -2.066701     -1.503153     -1.188702    0.00  -0.000228144   0.000023121   0.000168673
 H     -2.553486     -2.290229     -0.596700    0.00  -0.000025945   0.000010143   0.000018421
 H     -2.603211     -1.412934     -2.137988    0.00  -0.000019367   0.000001742   0.000014137
 H     -1.049965     -1.861466     -1.405189    0.00  -0.000023664  -0.000008639   0.000014118
 H      0.725856     -1.903441      0.684710    0.00  -0.000020061   0.000008384  -0.000079780
 O      1.122837     -1.625931     -0.216412    0.00   0.000752607  -0.000778006  -0.000553980
 O      2.027643     -0.625410      0.263088    0.00  -0.000338500   0.000122168  -0.000514115
 C      2.801520     -0.267630     -0.856301    0.00   0.000451144  -0.000205330   0.000027509
 H      2.566692     -0.819672     -1.765506    0.00   0.000119680  -0.000055514   0.000041391
 O      3.610243      0.600879     -0.650331    0.00  -0.000122329   0.000284753   0.000164418
26
 Energy =      -0.193204073825
 C     -0.346238      1.942725      0.831202    0.00  -0.000180242   0.000071845   0.000173468
 C     -1.140770      2.205525     -0.453337    0.00   0.000125113  -0.000014575  -0.000032485
 C     -1.327219      0.911112     -1.252237    0.00   0.000164493  -0.000088107   0.000070426
 C     -2.036174     -0.180089     -0.427244    0.00  -0.000082235   0.000071850   0.000072173
 C     -1.346613     -0.354711      0.924153    0.00  -0.000161880   0.000119372   0.000121701
 C     -1.050225      0.903578      1.709514    0.00  -0.000416342   0.000178168   0.000120049
 H     -1.908768      1.110724     -2.172214    0.00   0.000030180  -0.000012271  -0.000003589
 H     -2.124355      2.650348     -0.209036    0.00   0.000011966   0.000008474  -0.000025842
 H     -0.615915      2.957384     -1.073791    0.00   0.000027738  -0.000013022   0.000000603
 H      0.675895      1.585874      0.582199    0.00  -0.000013363   0.000001603   0.000036692
 H     -0.208501      2.882540      1.398790    0.00  -0.000022848   0.000009652   0.000009255
 H     -3.087063      0.147218     -0.218577    0.00  -0.000002693   0.000020769  -0.000002925
 H     -1.994802      1.313209      2.119865    0.00  -0.000041591   0.000017822  -0.000016469
 H     -0.425011      0.658049      2.593415    0.00  -0.000056009   0.000023230   0.000023593
 H     -0.341540      0.534306     -1.591872    0.00   0.000014769  -0.000017263   0.000025217
 O     -1.054937     -1.447916      1.372015    0.00   0.000041763   0.000220847   0.000126262
 C     -2.064272     -1.503393     -1.190459    0.00  -0.000239048   0.000023740   0.000170677
 H     -2.550156     -2.291456     -0.599008    0.00  -0.000027467   0.000010525   0.000018458
 H     -2.600776     -1.413166     -2.139730    0.00  -0.000019893   0.000001999   0.000014110
 H     -1.047057     -1.860346     -1.406955    0.00  -0.000024701  -0.000009134   0.000014707
 H      0.728938     -1.904246      0.691033    0.00  -0.000020046   0.000009262  -0.000078516
 O      1.116992     -1.619767     -0.211735    0.00   0.000757513  -0.000780963  -0.000558477
 O      2.030203     -0.626472      0.266748    0.00  -0.000324672   0.000121057  -0.000503641
 C      2.796938     -0.265360     -0.856479    0.00   0.000452181  -0.000204341   0.000021992
 H      2.552642     -0.810953     -1.767079    0.00   0.000118887  -0.000055810   0.000039065
 O      3.610971      0.598445     -0.651701    0.00  -0.000111573   0.000285271   0.000163497
26
 Energy =      -0.193149915642
 C     -0.344358      1.941982      0.829379    0.00  -0.000184242   0.000070932   0.000176482
 C     -1.142070      2.205685     -0.452978    0.00   0.000126871  -0.000015394  -0.000034179
 C     -1.328925      0.912027     -1.252966    0.00   0.000164868  -0.000090007   0.000070345
 C     -2.035297     -0.180833     -0.428005    0.00  -0.000087464   0.000073170   0.000072890
 C     -1.344910     -0.355955      0.922911    0.00  -0.000165083   0.000119767   0.000121399
 C     -1.045870      0.901728      1.708268    0.00  -0.000426310   0.000179403   0.000121949
 H     -1.912419      1.112180     -2.171602    0.00   0.000030469  -0.000012414  -0.000003762
 H     -2.125563      2.649158     -0.205865    0.00   0.000012175   0.000008739  -0.000026409
 H     -0.619453      2.958877     -1.073688    0.00   0.000028304  -0.000013393   0.000000490
 H      0.677309      1.585763      0.577675    0.00  -0.000013664   0.000001360   0.000037383
 H     -0.205659      2.881298      1.397569    0.00  -0.000023289   0.000009610   0.000009472
 H     -3.086574      0.144585     -0.218272    0.00  -0.000002979   0.000021301  -0.000002843
 H     -1.989304      1.310882      2.121789    0.00  -0.000042637   0.000017981  -0.000016978
 H     -0.418209      0.655236      2.590184    0.00  -0.000057385   0.000023502   0.000024113
 H     -0.343560      0.536543     -1.594919    0.00   0.000014769  -0.000017753   0.000025501
 O     -1.055291     -1.449621      1.371051    0.00   0.000049605   0.000222323   0.000120241
 C     -2.061737     -1.503639     -1.192230    0.00  -0.000250166   0.000024382   0.000172549
 H     -2.546645     -2.292722     -0.601316    0.00  -0.000029011   0.000010913   0.000018480
 H     -2.598283     -1.413430     -2.141462    0.00  -0.000020439   0.000002271   0.000014076
 H     -1.044033     -1.859167     -1.408786    0.00  -0.000025762  -0.000009634   0.000015282
 H      0.731964     -1.905123      0.697184    0.00  -0.000019959   0.000010110  -0.000077096
 O      1.111133     -1.613610     -0.207045    0.00   0.000761585  -0.000783030  -0.000561965
 O      2.032641     -0.627518      0.270322    0.00  -0.000310381   0.000119838  -0.000492936
 C      2.792362     -0.263113     -0.856602    0.00   0.000452841  -0.000203260   0.000016629
 H      2.538758     -0.802306     -1.768466    0.00   0.000117970  -0.000056036   0.000036784
 O      3.611615      0.596023     -0.653056    0.00  -0.000100684   0.000285317   0.000162102
26
 Energy =      -0.193095603752
 C     -0.342443      1.941252      0.827530    0.00  -0.000188300   0.000069935   0.000179581
 C     -1.143384      2.205852     -0.452602    0.00   0.000128675  -0.000016192  -0.000035889
 C     -1.330631      0.912959     -1.253692    0.00   0.000165250  -0.000091874   0.000070221
 C     -2.034368     -0.181588     -0.428770    0.00  -0.000092731   0.000074492   0.000073564
 C     -1.343178     -0.357200      0.921677    0.00  -0.000168117   0.000120053   0.000120923
 C     -1.041423      0.899870      1.707008    0.00  -0.000436485   0.000180560   0.000123868
 H     -1.916093      1.113647     -2.170967    0.00   0.000030760  -0.000012549  -0.000003938
 H     -2.126783      2.647934     -0.202636    0.00   0.000012392   0.000009012  -0.000026984
 H     -0.623054      2.960406     -1.073564    0.00   0.000028882  -0.000013767   0.000000377
 H      0.678747      1.585686      0.573080    0.00  -0.000013972   0.000001109   0.000038090
 H     -0.202771      2.880065      1.396323    0.00  -0.000023733   0.000009560   0.000009698
 H     -3.086046      0.141891     -0.217981    0.00  -0.000003264   0.000021841  -0.000002754
 H     -1.983678      1.308537      2.123764    0.00  -0.000043711   0.000018122  -0.000017514
 H     -0.411264      0.652402      2.586885    0.00  -0.000058801   0.000023773   0.000024648
 H     -0.345580      0.538836     -1.597989    0.00   0.000014771  -0.000018242   0.000025782
 O     -1.055710     -1.451332      1.370138    0.00   0.000058417   0.000223614   0.000113511
 C     -2.059092     -1.503892     -1.194015    0.00  -0.000261492   0.000025054   0.000174301
 H     -2.542950     -2.294026     -0.603621    0.00  -0.000030574   0.000011304   0.000018491
 H     -2.595727     -1.413729     -2.143183    0.00  -0.000021003   0.000002553   0.000014036
 H     -1.040892     -1.857926     -1.410680    0.00  -0.000026844  -0.000010138   0.000015845
 H      0.734925     -1.906070      0.703155    0.00  -0.000019801   0.000010930  -0.000075550
 O      1.105265     -1.607462     -0.202348    0.00   0.000764906  -0.000784268  -0.000564476
 O      2.034957     -0.628547      0.273809    0.00  -0.000295645   0.000118465  -0.000482031
 C      2.787793     -0.260887     -0.856672    0.00   0.000453160  -0.000202088   0.000011391
 H      2.525046     -0.793734     -1.769674    0.00   0.000116936  -0.000056197   0.000034549
 O      3.612176      0.593616     -0.654391    0.00  -0.000089674   0.000284938   0.000160262
26
 Energy =      -0.193041156593
 C     -0.340490      1.940533      0.825652    0.00  -0.000192404   0.000068863   0.000182764
 C     -1.144714      2.206028     -0.452209    0.00   0.000130526  -0.000016960  -0.000037624
 C     -1.332336      0.913907     -1.254415    0.00   0.000165637  -0.000093703   0.000070048
 C     -2.033388     -0.182356     -0.429541    0.00  -0.000098049   0.000075825   0.000074195
 C     -1.341419     -0.358445      0.920454    0.00  -0.000170988   0.000120221   0.000120306
 C     -1.036881      0.898005      1.705730    0.00  -0.000446896   0.000181643   0.000125819
 H     -1.919791      1.115125     -2.170309    0.00   0.000031054  -0.000012676  -0.000004119
 H     -2.128017      2.646676     -0.199346    0.00   0.000012613   0.000009295  -0.000027566
 H     -0.626722      2.961970     -1.073419    0.00   0.000029474  -0.000014144   0.000000265
 H      0.680210      1.585643      0.568411    0.00  -0.000014283   0.000000841   0.000038811
 H     -0.199835      2.878839      1.395049    0.00  -0.000024183   0.000009500   0.000009936
 H     -3.085480      0.139137     -0.217704    0.00  -0.000003549   0.000022388  -0.000002660
 H     -1.977918      1.306175      2.125794    0.00  -0.000044816   0.000018253  -0.000018078
 H     -0.404171      0.649544      2.583515    0.00  -0.000060259   0.000024050   0.000025197
 H     -0.347602      0.541186     -1.601083    0.00   0.000014772  -0.000018734   0.000026062
 O     -1.056199     -1.453045      1.369281    0.00   0.000068109   0.000224748   0.000106120
 C     -2.056337     -1.504151     -1.195812    0.00  -0.000273001   0.000025749   0.000175950
 H     -2.539069     -2.295370     -0.605925    0.00  -0.000032151   0.000011697   0.000018490
 H     -2.593107     -1.414062     -2.144895    0.00  -0.000021588   0.000002846   0.000013993
 H     -1.037631     -1.856624     -1.412635    0.00  -0.000027946  -0.000010645   0.000016392
 H      0.737817     -1.907083      0.708939    0.00  -0.000019579   0.000011723  -0.000073882
 O      1.099392     -1.601327     -0.197651    0.00   0.000767564  -0.000784748  -0.000566077
 O      2.037149     -0.629558      0.277211    0.00  -0.000280458   0.000116909  -0.000470986
 C      2.783232     -0.258682     -0.856691    0.00   0.000453174  -0.000200812   0.000006294
 H      2.511511     -0.785241     -1.770710    0.00   0.000115794  -0.000056291   0.000032356
 O      3.612654      0.591226     -0.655704    0.00  -0.000078567   0.000284164   0.000157993
26
 Energy =      -0.192986587117
 C     -0.338499      1.939828      0.823745    0.00  -0.000196548   0.000067710   0.000186027
 C     -1.146060      2.206211     -0.451799    0.00   0.000132432  -0.000017695  -0.000039386
 C     -1.334042      0.914872     -1.255134    0.00   0.000166017  -0.000095491   0.000069835
 C     -2.032354     -0.183135     -0.430317    0.00  -0.000103407   0.000077172   0.000074792
 C     -1.339635     -0.359690      0.919241    0.00  -0.000173733   0.000120287   0.000119563
 C     -1.032242      0.896133      1.704436    0.00  -0.000457556   0.000182680   0.000127811
 H     -1.923513      1.116611     -2.169625    0.00   0.000031348  -0.000012794  -0.000004305
 H     -2.129264      2.645381     -0.195995    0.00   0.000012840   0.000009588  -0.000028158
 H     -0.630458      2.963570     -1.073254    0.00   0.000030080  -0.000014524   0.000000152
 H      0.681698      1.585636      0.563667    0.00  -0.000014601   0.000000559   0.000039547
 H     -0.196851      2.877623      1.393747    0.00  -0.000024635   0.000009433   0.000010184
 H     -3.084874      0.136320     -0.217441    0.00  -0.000003835   0.000022939  -0.000002558
 H     -1.972018      1.303797      2.127882    0.00  -0.000045952   0.000018377  -0.000018669
 H     -0.396924      0.646662      2.580069    0.00  -0.000061763   0.000024332   0.000025765
 H     -0.349627      0.543592     -1.604202    0.00   0.000014774  -0.000019227   0.000026338
 O     -1.056765     -1.454762      1.368486    0.00   0.000078598   0.000225734   0.000098130
 C     -2.053468     -1.504416     -1.197622    0.00  -0.000284681   0.000026466   0.000177501
 H     -2.534999     -2.296754     -0.608226    0.00  -0.000033741   0.000012092   0.000018483
 H     -2.590420     -1.414432     -2.146596    0.00  -0.000022192   0.000003147   0.000013947
 H     -1.034247     -1.855260     -1.414651    0.00  -0.000029066  -0.000011154   0.000016927
 H      0.740631     -1.908160      0.714531    0.00  -0.000019291   0.000012489  -0.000072109
 O      1.093515     -1.595211     -0.192959    0.00   0.000769648  -0.000784541  -0.000566822
 O      2.039213     -0.630551      0.280527    0.00  -0.000264824   0.000115139  -0.000459847
 C      2.778683     -0.256500     -0.856661    0.00   0.000452908  -0.000199435   0.000001325
 H      2.498158     -0.776830     -1.771583    0.00   0.000114552  -0.000056321   0.000030205
 O      3.613049      0.588855     -0.656993    0.00  -0.000067371   0.000283038   0.000155324
26
 Energy =      -0.192931902785
 C     -0.336471      1.939136      0.821808    0.00  -0.000200733   0.000066474   0.000189370
 C     -1.147423      2.206401     -0.451370    0.00   0.000134390  -0.000018392  -0.000041177
 C     -1.335747      0.915852     -1.255849    0.00   0.000166392  -0.000097234   0.000069577
 C     -2.031268     -0.183927     -0.431098    0.00  -0.000108818   0.000078531   0.000075352
 C     -1.337826     -0.360934      0.918041    0.00  -0.000176385   0.000120261   0.000118720
 C     -1.027502      0.894254      1.703125    0.00  -0.000468478   0.000183699   0.000129853
 H     -1.927261      1.118105     -2.168917    0.00   0.000031638  -0.000012904  -0.000004491
 H     -2.130526      2.644047     -0.192581    0.00   0.000013073   0.000009893  -0.000028757
 H     -0.634264      2.965206     -1.073068    0.00   0.000030702  -0.000014906   0.000000037
 H      0.683212      1.585668      0.558844    0.00  -0.000014922   0.000000260   0.000040296
 H     -0.193818      2.876418      1.392415    0.00  -0.000025083   0.000009355   0.000010440
 H     -3.084229      0.133440     -0.217194    0.00  -0.000004123   0.000023499  -0.000002451
 H     -1.965973      1.301403      2.130030    0.00  -0.000047123   0.000018497  -0.000019290
 H     -0.389517      0.643755      2.576545    0.00  -0.000063314   0.000024623   0.000026352
 H     -0.351655      0.546054     -1.607345    0.00   0.000014775  -0.000019717   0.000026608
 O     -1.057414     -1.456479      1.367755    0.00   0.000089796   0.000226577   0.000089605
 C     -2.050485     -1.504689     -1.199443    0.00  -0.000296508   0.000027204   0.000178968
 H     -2.530741     -2.298176     -0.610524    0.00  -0.000035339   0.000012487   0.000018468
 H     -2.587662     -1.414838     -2.148287    0.00  -0.000022816   0.000003454   0.000013901
 H     -1.030739     -1.853834     -1.416726    0.00  -0.000030201  -0.000011663   0.000017446
 H      0.743361     -1.909299      0.719924    0.00  -0.000018947   0.000013232  -0.000070243
 O      1.087638     -1.589116     -0.188280    0.00   0.000771253  -0.000783716  -0.000566771
 O      2.041149     -0.631523      0.283759    0.00  -0.000248744   0.000113125  -0.000448671
 C      2.774145     -0.254341     -0.856583    0.00   0.000452402  -0.000197952  -0.000003508
 H      2.484995     -0.768508     -1.772299    0.00   0.000113217  -0.000056288   0.000028094
 O      3.613360      0.586506     -0.658255    0.00  -0.000056104   0.000281600   0.000152271
26
 Energy =      -0.192877105719
 C     -0.334404      1.938458      0.819840    0.00  -0.000204947   0.000065156   0.000192784
 C     -1.148803      2.206599     -0.450924    0.00   0.000136411  -0.000019045  -0.000042999
 C     -1.337453      0.916848     -1.256560    0.00   0.000166745  -0.000098922   0.000069280
 C     -2.030129     -0.184730     -0.431883    0.00  -0.000114275   0.000079908   0.000075895
 C     -1.335992     -0.362177      0.916854    0.00  -0.000178972   0.000120166   0.000117798
 C     -1.022660      0.892369      1.701795    0.00  -0.000479684   0.000184714   0.000131952
 H     -1.931034      1.119607     -2.168183    0.00   0.000031926  -0.000013004  -0.000004683
 H     -2.131801      2.642674     -0.189104    0.00   0.000013312   0.000010213  -0.000029366
 H     -0.638144      2.966878     -1.072860    0.00   0.000031337  -0.000015289  -0.000000080
 H      0.684752      1.585740      0.553942    0.00  -0.000015247  -0.000000062   0.000041057
 H     -0.190737      2.875223      1.391051    0.00  -0.000025528   0.000009270   0.000010705
 H     -3.083546      0.130496     -0.216964    0.00  -0.000004413   0.000024063  -0.000002341
 H     -1.959778      1.298993      2.132241    0.00  -0.000048328   0.000018615  -0.000019939
 H     -0.381946      0.640822      2.572939    0.00  -0.000064915   0.000024925   0.000026960
 H     -0.353686      0.548573     -1.610511    0.00   0.000014777  -0.000020208   0.000026874
 O     -1.058151     -1.458197      1.367092    0.00   0.000101611   0.000227282   0.000080606
 C     -2.047387     -1.504968     -1.201274    0.00  -0.000308464   0.000027958   0.000180354
 H     -2.526293     -2.299638     -0.612819    0.00  -0.000036942   0.000012881   0.000018450
 H     -2.584831     -1.415283     -2.149967    0.00  -0.000023460   0.000003769   0.000013855
 H     -1.027107     -1.852346     -1.418856    0.00  -0.000031349  -0.000012172   0.000017950
 H      0.746003     -1.910499      0.725112    0.00  -0.000018547   0.000013953  -0.000068297
 O      1.081765     -1.583047     -0.183618    0.00   0.000772467  -0.000782344  -0.000565982
 O      2.042953     -0.632473      0.286907    0.00  -0.000232221   0.000110841  -0.000437498
 C      2.769622     -0.252205     -0.856459    0.00   0.000451681  -0.000196361  -0.000008217
 H      2.472026     -0.760280     -1.772864    0.00   0.000111798  -0.000056192   0.000026022
 O      3.613587      0.584181     -0.659486    0.00  -0.000044772   0.000279885   0.000148861
26
 Energy =      -0.192822192913
 C     -0.332298      1.937795      0.817841    0.00  -0.000209186   0.000063752   0.000196265
 C     -1.150201      2.206802     -0.450459    0.00   0.000138485  -0.000019644  -0.000044858
 C     -1.339159      0.917858     -1.257266    0.00   0.000167070  -0.000100555   0.000068945
 C     -2.028935     -0.185547     -0.432672    0.00  -0.000119786   0.000081309   0.000076414
 C     -1.334136     -0.363418      0.915681    0.00  -0.000181521   0.000120003   0.000116812
 C     -1.017711      0.890476      1.700448    0.00  -0.000491177   0.000185750   0.000134119
 H     -1.934831      1.121115     -2.167423    0.00   0.000032209  -0.000013093  -0.000004878
 H     -2.133092      2.641259     -0.185563    0.00   0.000013556   0.000010547  -0.000029982
 H     -0.642097      2.968586     -1.072630    0.00   0.000031991  -0.000015676  -0.000000201
 H      0.686318      1.585855      0.548960    0.00  -0.000015578  -0.000000405   0.000041831
 H     -0.187609      2.874040      1.389657    0.00  -0.000025965   0.000009174   0.000010975
 H     -3.082822      0.127488     -0.216749    0.00  -0.000004707   0.000024631  -0.000002226
 H     -1.953428      1.296566      2.134518    0.00  -0.000049572   0.000018736  -0.000020619
 H     -0.374208      0.637863      2.569249    0.00  -0.000066566   0.000025239   0.000027593
 H     -0.355720      0.551148     -1.613699    0.00   0.000014776  -0.000020699   0.000027132
 O     -1.058979     -1.459914      1.366500    0.00   0.000113951   0.000227855   0.000071201
 C     -2.044172     -1.505255     -1.203115    0.00  -0.000320522   0.000028730   0.000181678
 H     -2.521656     -2.301137     -0.615110    0.00  -0.000038548   0.000013272   0.000018427
 H     -2.581926     -1.415766     -2.151637    0.00  -0.000024120   0.000004087   0.000013809
 H     -1.023348     -1.850796     -1.421040    0.00  -0.000032507  -0.000012679   0.000018438
 H      0.748552     -1.911756      0.730093    0.00  -0.000018098   0.000014653  -0.000066285
 O      1.075897     -1.577009     -0.178980    0.00   0.000773380  -0.000780493  -0.000564518
 O      2.044623     -0.633398      0.289972    0.00  -0.000215260   0.000108261  -0.000426371
 C      2.765115     -0.250095     -0.856290    0.00   0.000450783  -0.000194654  -0.000012797
 H      2.459260     -0.752153     -1.773286    0.00   0.000110303  -0.000056035   0.000023990
 O      3.613732      0.581881     -0.660685    0.00  -0.000033391   0.000277929   0.000145107
26
 Energy =      -0.192767156538
 C     -0.330155      1.937148      0.815810    0.00  -0.000213438   0.000062256   0.000199804
 C     -1.151617      2.207012     -0.449975    0.00   0.000140621  -0.000020188  -0.000046757
 C     -1.340865      0.918882     -1.257967    0.00   0.000167354  -0.000102119   0.000068568
 C     -2.027689     -0.186376     -0.433465    0.00  -0.000125343   0.000082729   0.000076923
 C     -1.332256     -0.364656      0.914523    0.00  -0.000184060   0.000119792   0.000115782
 C     -1.012656      0.888577      1.699081    0.00  -0.000502978   0.000186823   0.000136357
 H     -1.938650      1.122626     -2.166638    0.00   0.000032482  -0.000013171  -0.000005076
 H     -2.134397      2.639802     -0.181958    0.00   0.000013806   0.000010899  -0.000030605
 H     -0.646125      2.970329     -1.072378    0.00   0.000032660  -0.000016062  -0.000000325
 H      0.687908      1.586016      0.543898    0.00  -0.000015910  -0.000000773   0.000042615
 H     -0.184436      2.872871      1.388230    0.00  -0.000026393   0.000009072   0.000011252
 H     -3.082058      0.124417     -0.216552    0.00  -0.000005006   0.000025203  -0.000002108
 H     -1.946920      1.294121      2.136863    0.00  -0.000050852   0.000018863  -0.000021326
 H     -0.366298      0.634876      2.565470    0.00  -0.000068269   0.000025567   0.000028252
 H     -0.357757      0.553778     -1.616908    0.00   0.000014774  -0.000021188   0.000027383
 O     -1.059902     -1.461628      1.365981    0.00   0.000126724   0.000228301   0.000061449
 C     -2.040841     -1.505549     -1.204965    0.00  -0.000332666   0.000029517   0.000182935
 H     -2.516831     -2.302674     -0.617397    0.00  -0.000040153   0.000013660   0.000018403
 H     -2.578944     -1.416287     -2.153295    0.00  -0.000024797   0.000004411   0.000013765
 H     -1.019465     -1.849186     -1.423276    0.00  -0.000033672  -0.000013183   0.000018912
 H      0.751002     -1.913070      0.734861    0.00  -0.000017602   0.000015336  -0.000064217
 O      1.070038     -1.571004     -0.174372    0.00   0.000774076  -0.000778228  -0.000562431
 O      2.046157     -0.634296      0.292953    0.00  -0.000197863   0.000105365  -0.000415338
 C      2.760626     -0.248011     -0.856078    0.00   0.000449736  -0.000192836  -0.000017252
 H      2.446702     -0.744134     -1.773572    0.00   0.000108739  -0.000055816   0.000022001
 O      3.613793      0.579609     -0.661848    0.00  -0.000021968   0.000275771   0.000141032
26
 Energy =      -0.192711984321
 C     -0.327974      1.936518      0.813747    0.00  -0.000217694   0.000060671   0.000203396
 C     -1.153051      2.207226     -0.449472    0.00   0.000142811  -0.000020668  -0.000048693
 C     -1.342568      0.919919     -1.258662    0.00   0.000167580  -0.000103608   0.000068156
 C     -2.026388     -0.187218     -0.434261    0.00  -0.000130956   0.000084175   0.000077419
 C     -1.330354     -0.365892      0.913380    0.00  -0.000186618   0.000119538   0.000114730
 C     -1.007492      0.886671      1.697696    0.00  -0.000515085   0.000187949   0.000138675
 H     -1.942489      1.124141     -2.165828    0.00   0.000032745  -0.000013236  -0.000005276
 H     -2.135716      2.638299     -0.178290    0.00   0.000014060   0.000011268  -0.000031236
 H     -0.650230      2.972106     -1.072102    0.00   0.000033345  -0.000016449  -0.000000457
 H      0.689525      1.586226      0.538756    0.00  -0.000016246  -0.000001170   0.000043409
 H     -0.181220      2.871717      1.386772    0.00  -0.000026808   0.000008960   0.000011532
 H     -3.081254      0.121282     -0.216373    0.00  -0.000005311   0.000025778  -0.000001986
 H     -1.940251      1.291659      2.139278    0.00  -0.000052174   0.000018998  -0.000022063
 H     -0.358213      0.631860      2.561600    0.00  -0.000070027   0.000025911   0.000028939
 H     -0.359794      0.556462     -1.620136    0.00   0.000014769  -0.000021675   0.000027622
 O     -1.060923     -1.463338      1.365539    0.00   0.000139854   0.000228621   0.000051411
 C     -2.037394     -1.505850     -1.206823    0.00  -0.000344871   0.000030316   0.000184140
 H     -2.511821     -2.304246     -0.619678    0.00  -0.000041756   0.000014044   0.000018377
 H     -2.575887     -1.416848     -2.154943    0.00  -0.000025488   0.000004737   0.000013721
 H     -1.015458     -1.847515     -1.425561    0.00  -0.000034840  -0.000013682   0.000019372
 H      0.753350     -1.914438      0.739415    0.00  -0.000017066   0.000016003  -0.000062103
 O      1.064189     -1.565038     -0.169800    0.00   0.000774640  -0.000775613  -0.000559774
 O      2.047551     -0.635166      0.295853    0.00  -0.000180037   0.000102132  -0.000404432
 C      2.756158     -0.245956     -0.855825    0.00   0.000448573  -0.000190900  -0.000021582
 H      2.434360     -0.736231     -1.773728    0.00   0.000107114  -0.000055538   0.000020054
 O      3.613771      0.577366     -0.662974    0.00  -0.000010513   0.000273437   0.000136648
26
 Energy =      -0.192656659944
 C     -0.325756      1.935906      0.811654    0.00  -0.000221947   0.000058987   0.000207033
 C     -1.154504      2.207445     -0.448951    0.00   0.000145058  -0.000021075  -0.000050674
 C     -1.344269      0.920968     -1.259351    0.00   0.000167735  -0.000105017   0.000067707
 C     -2.025034     -0.188072     -0.435061    0.00  -0.000136621   0.000085647   0.000077911
 C     -1.328430     -0.367124      0.912254    0.00  -0.000189218   0.000119255   0.000113663
 C     -1.002218      0.884758      1.696292    0.00  -0.000527513   0.000189148   0.000141081
 H     -1.946347      1.125655     -2.164992    0.00   0.000032993  -0.000013287  -0.000005478
 H     -2.137051      2.636751     -0.174559    0.00   0.000014319   0.000011657  -0.000031872
 H     -0.654410      2.973917     -1.071802    0.00   0.000034046  -0.000016836  -0.000000594
 H      0.691166      1.586487      0.533535    0.00  -0.000016584  -0.000001596   0.000044209
 H     -0.177964      2.870578      1.385281    0.00  -0.000027206   0.000008839   0.000011817
 H     -3.080410      0.118085     -0.216211    0.00  -0.000005623   0.000026356  -0.000001862
 H     -1.933416      1.289179      2.141764    0.00  -0.000053536   0.000019146  -0.000022830
 H     -0.349952      0.628816      2.557637    0.00  -0.000071838   0.000026273   0.000029655
 H     -0.361832      0.559198     -1.623380    0.00   0.000014759  -0.000022159   0.000027849
 O     -1.062042     -1.465042      1.365173    0.00   0.000153257   0.000228816   0.000041144
 C     -2.033833     -1.506159     -1.208687    0.00  -0.000357112   0.000031133   0.000185295
 H     -2.506628     -2.305854     -0.621954    0.00  -0.000043353   0.000014419   0.000018349
 H     -2.572751     -1.417447     -2.156579    0.00  -0.000026192   0.000005066   0.000013680
 H     -1.011328     -1.845786     -1.427893    0.00  -0.000036010  -0.000014176   0.000019818
 H      0.755594     -1.915860      0.743751    0.00  -0.000016492   0.000016657  -0.000059951
 O      1.058353     -1.559115     -0.165269    0.00   0.000775145  -0.000772709  -0.000556598
 O      2.048802     -0.636003      0.298671    0.00  -0.000161785   0.000098542  -0.000393692
 C      2.751712     -0.243930     -0.855531    0.00   0.000447320  -0.000188848  -0.000025788
 H      2.422241     -0.728451     -1.773762    0.00   0.000105436  -0.000055200   0.000018153
 O      3.613668      0.575155     -0.664059    0.00   0.000000961   0.000270961   0.000131973
26
 Energy =      -0.192601163471
 C     -0.323503      1.935313      0.809530    0.00  -0.000226185   0.000057205   0.000210700
 C     -1.155975      2.207667     -0.448410    0.00   0.000147359  -0.000021407  -0.000052694
 C     -1.345966      0.922027     -1.260033    0.00   0.000167798  -0.000106332   0.000067220
 C     -2.023627     -0.188939     -0.435863    0.00  -0.000142340   0.000087149   0.000078397
 C     -1.326483     -0.368352      0.911144    0.00  -0.000191875   0.000118951   0.000112606
 C     -0.996834      0.882838      1.694867    0.00  -0.000540261   0.000190430   0.000143579
 H     -1.950219      1.127168     -2.164132    0.00   0.000033225  -0.000013322  -0.000005680
 H     -2.138400      2.635155     -0.170767    0.00   0.000014582   0.000012067  -0.000032513
 H     -0.658667      2.975759     -1.071478    0.00   0.000034764  -0.000017221  -0.000000738
 H      0.692831      1.586804      0.528236    0.00  -0.000016924  -0.000002056   0.000045017
 H     -0.174671      2.869457      1.383760    0.00  -0.000027585   0.000008708   0.000012103
 H     -3.079525      0.114827     -0.216067    0.00  -0.000005944   0.000026934  -0.000001734
 H     -1.926413      1.286678      2.144324    0.00  -0.000054942   0.000019307  -0.000023627
 H     -0.341512      0.625742      2.553578    0.00  -0.000073705   0.000026653   0.000030404
 H     -0.363868      0.561985     -1.626638    0.00   0.000014743  -0.000022638   0.000028062
 O     -1.063260     -1.466739      1.364887    0.00   0.000166856   0.000228887   0.000030697
 C     -2.030159     -1.506476     -1.210557    0.00  -0.000369369   0.000031963   0.000186402
 H     -2.501256     -2.307494     -0.624224    0.00  -0.000044942   0.000014789   0.000018322
 H     -2.569539     -1.418085     -2.158204    0.00  -0.000026907   0.000005396   0.000013640
 H     -1.007078     -1.844000     -1.430268    0.00  -0.000037178  -0.000014663   0.000020251
 H      0.757729     -1.917334      0.747867    0.00  -0.000015885   0.000017300  -0.000057772
 O      1.052532     -1.553237     -0.160784    0.00   0.000775664  -0.000769570  -0.000552944
 O      2.049909     -0.636805      0.301409    0.00  -0.000143110   0.000094581  -0.000383145
 C      2.747290     -0.241935     -0.855199    0.00   0.000446006  -0.000186681  -0.000029873
 H      2.410351     -0.720802     -1.773679    0.00   0.000103712  -0.000054804   0.000016299
 O      3.613482      0.572976     -0.665102    0.00   0.000012443   0.000268372   0.000127021
26
 Energy =      -0.192545471787
 C     -0.321215      1.934740      0.807376    0.00  -0.000230400   0.000055318   0.000214397
 C     -1.157464      2.207892     -0.447851    0.00   0.000149708  -0.000021650  -0.000054763
 C     -1.347657      0.923094     -1.260708    0.00   0.000167754  -0.000107546   0.000066702
 C     -2.022166     -0.189818     -0.436668    0.00  -0.000148118   0.000088681   0.000078889
 C     -1.324516     -0.369576      0.910052    0.00  -0.000194614   0.000118636   0.000111558
 C     -0.991339      0.880911      1.693424    0.00  -0.000553340   0.000191813   0.000146173
 H     -1.954101      1.128676     -2.163249    0.00   0.000033435  -0.000013342  -0.000005884
 H     -2.139764      2.633510     -0.166915    0.00   0.000014848   0.000012499  -0.000033158
 H     -0.663001      2.977633     -1.071129    0.00   0.000035499  -0.000017605  -0.000000891
 H      0.694520      1.587179      0.522863    0.00  -0.000017265  -0.000002549   0.000045828
 H     -0.171346      2.868356      1.382208    0.00  -0.000027942   0.000008569   0.000012390
 H     -3.078598      0.111511     -0.215941    0.00  -0.000006274   0.000027513  -0.000001605
 H     -1.919241      1.284157      2.146957    0.00  -0.000056390   0.000019487  -0.000024453
 H     -0.332892      0.622638      2.549420    0.00  -0.000075626   0.000027053   0.000031186
 H     -0.365901      0.564821     -1.629906    0.00   0.000014718  -0.000023112   0.000028257
 O     -1.064579     -1.468427      1.364679    0.00   0.000180592   0.000228832   0.000020125
 C     -2.026374     -1.506800     -1.212430    0.00  -0.000381619   0.000032811   0.000187465
 H     -2.495710     -2.309165     -0.626485    0.00  -0.000046521   0.000015152   0.000018294
 H     -2.566251     -1.418761     -2.159816    0.00  -0.000027628   0.000005728   0.000013601
 H     -1.002711     -1.842160     -1.432683    0.00  -0.000038341  -0.000015145   0.000020670
 H      0.759755     -1.918859      0.751763    0.00  -0.000015247   0.000017930  -0.000055569
 O      1.046727     -1.547409     -0.156350    0.00   0.000776266  -0.000766249  -0.000548856
 O      2.050869     -0.637569      0.304068    0.00  -0.000124020   0.000090232  -0.000372817
 C      2.742896     -0.239974     -0.854831    0.00   0.000444650  -0.000184406  -0.000033834
 H      2.398696     -0.713292     -1.773488    0.00   0.000101949  -0.000054349   0.000014497
 O      3.613216      0.570831     -0.666100    0.00   0.000023926   0.000265700   0.000121799
26
 Energy =         -0.192489559
 C     -0.318895      1.934188      0.805193    0.00  -0.000234578   0.000053323   0.000218103
 C     -1.158970      2.208118     -0.447272    0.00   0.000152105  -0.000021802  -0.000056875
 C     -1.349340      0.924169     -1.261374    0.00   0.000167576  -0.000108644   0.000066144
 C     -2.020654     -0.190710     -0.437475    0.00  -0.000153954   0.000090243   0.000079388
 C     -1.322527     -0.370794      0.908976    0.00  -0.000197453   0.000118321   0.000110540
 C     -0.985733      0.878977      1.691960    0.00  -0.000566750   0.000193303   0.000148869
 H     -1.957990      1.130178     -2.162342    0.00   0.000033621  -0.000013342  -0.000006087
 H     -2.141142      2.631814     -0.163004    0.00   0.000015117   0.000012956  -0.000033805
 H     -0.667409      2.979536     -1.070754    0.00   0.000036248  -0.000017985  -0.000001052
 H      0.696232      1.587617      0.517418    0.00  -0.000017607  -0.000003082   0.000046640
 H     -0.167992      2.867275      1.380627    0.00  -0.000028274   0.000008419   0.000012676
 H     -3.077630      0.108137     -0.215834    0.00  -0.000006614   0.000028090  -0.000001473
 H     -1.911897      1.281615      2.149667    0.00  -0.000057884   0.000019686  -0.000025309
 H     -0.324093      0.619503      2.545162    0.00  -0.000077606   0.000027474   0.000032005
 H     -0.367927      0.567702     -1.633180    0.00   0.000014686  -0.000023580   0.000028435
 O     -1.065996     -1.470104      1.364551    0.00   0.000194405   0.000228653   0.000009463
 C     -2.022481     -1.507131     -1.214307    0.00  -0.000393837   0.000033676   0.000188485
 H     -2.489995     -2.310866     -0.628738    0.00  -0.000048088   0.000015504   0.000018265
 H     -2.562887     -1.419476     -2.161415    0.00  -0.000028357   0.000006062   0.000013563
 H     -0.998230     -1.840267     -1.435137    0.00  -0.000039495  -0.000015615   0.000021079
 H      0.761669     -1.920433      0.755436    0.00  -0.000014583   0.000018553  -0.000053354
 O      1.040939     -1.541634     -0.151974    0.00   0.000777008  -0.000762800  -0.000544363
 O      2.051679     -0.638293      0.306649    0.00  -0.000104516   0.000085483  -0.000362732
 C      2.738529     -0.238048     -0.854427    0.00   0.000443288  -0.000182019  -0.000037672
 H      2.387282     -0.705930     -1.773194    0.00   0.000100155  -0.000053839   0.000012750
 O      3.612869      0.568722     -0.667051    0.00   0.000035387   0.000262964   0.000116320
26
 Energy =      -0.192433396823
 C     -0.316544      1.933659      0.802983    0.00  -0.000238712   0.000051214   0.000221814
 C     -1.160494      2.208344     -0.446673    0.00   0.000154542  -0.000021851  -0.000059034
 C     -1.351013      0.925250     -1.262032    0.00   0.000167245  -0.000109619   0.000065558
 C     -2.019089     -0.191613     -0.438283    0.00  -0.000159848   0.000091842   0.000079891
 C     -1.320516     -0.372007      0.907918    0.00  -0.000200401   0.000118009   0.000109557
 C     -0.980017      0.877035      1.690476    0.00  -0.000580494   0.000194920   0.000151672
 H     -1.961881      1.131670     -2.161414    0.00   0.000033779  -0.000013324  -0.000006289
 H     -2.142534      2.630066     -0.159038    0.00   0.000015388   0.000013438  -0.000034454
 H     -0.671892      2.981467     -1.070352    0.00   0.000037015  -0.000018362  -0.000001226
 H      0.697965      1.588121      0.511904    0.00  -0.000017949  -0.000003654   0.000047453
 H     -0.164616      2.866216      1.379018    0.00  -0.000028577   0.000008259   0.000012959
 H     -3.076620      0.104709     -0.215745    0.00  -0.000006967   0.000028665  -0.000001337
 H     -1.904381      1.279048      2.152452    0.00  -0.000059425   0.000019907  -0.000026195
 H     -0.315113      0.616338      2.540800    0.00  -0.000079641   0.000027919   0.000032861
 H     -0.369944      0.570626     -1.636457    0.00   0.000014640  -0.000024040   0.000028589
 O     -1.067511     -1.471768      1.364502    0.00   0.000208243   0.000228345  -0.000001251
 C     -2.018484     -1.507469     -1.216185    0.00  -0.000406006   0.000034563   0.000189463
 H     -2.484117     -2.312594     -0.630981    0.00  -0.000049641   0.000015847   0.000018236
 H     -2.559450     -1.420227     -2.163000    0.00  -0.000029088   0.000006395   0.000013525
 H     -0.993640     -1.838325     -1.437626    0.00  -0.000040638  -0.000016078   0.000021476
 H      0.763471     -1.922055      0.758887    0.00  -0.000013894   0.000019170  -0.000051127
 O      1.035171     -1.535915     -0.147658    0.00   0.000777948  -0.000759271  -0.000539498
 O      2.052339     -0.638973      0.309153    0.00  -0.000084606   0.000080317  -0.000352907
 C      2.734194     -0.236158     -0.853990    0.00   0.000441934  -0.000179529  -0.000041388
 H      2.376115     -0.698722     -1.772805    0.00   0.000098336  -0.000053274   0.000011060
 O      3.612443      0.566649     -0.667952    0.00   0.000046818   0.000260192   0.000110593
26
 Energy =       -0.19237695492
 C     -0.314164      1.933153      0.800747    0.00  -0.000242792   0.000048987   0.000225515
 C     -1.162035      2.208570     -0.446056    0.00   0.000157021  -0.000021790  -0.000061238
 C     -1.352674      0.926333     -1.262681    0.00   0.000166735  -0.000110456   0.000064936
 C     -2.017474     -0.192528     -0.439093    0.00  -0.000165804   0.000093473   0.000080408
 C     -1.318485     -0.373214      0.906878    0.00  -0.000203474   0.000117712   0.000108612
 C     -0.974192      0.875086      1.688973    0.00  -0.000594580   0.000196671   0.000154582
 H     -1.965768      1.133150     -2.160467    0.00   0.000033904  -0.000013284  -0.000006487
 H     -2.143939      2.628264     -0.155019    0.00   0.000015662   0.000013947  -0.000035103
 H     -0.676447      2.983424     -1.069924    0.00   0.000037796  -0.000018733  -0.000001408
 H      0.699719      1.588696      0.506325    0.00  -0.000018291  -0.000004270   0.000048263
 H     -0.161223      2.865182      1.377383    0.00  -0.000028848   0.000008089   0.000013239
 H     -3.075569      0.101229     -0.215675    0.00  -0.000007332   0.000029235  -0.000001198
 H     -1.896692      1.276457      2.155315    0.00  -0.000061014   0.000020153  -0.000027112
 H     -0.305954      0.613141      2.536333    0.00  -0.000081734   0.000028387   0.000033757
 H     -0.371950      0.573590     -1.639733    0.00   0.000014582  -0.000024492   0.000028720
 O     -1.069123     -1.473418      1.364532    0.00   0.000222064   0.000227908  -0.000011980
 C     -2.014386     -1.507815     -1.218063    0.00  -0.000418102   0.000035476   0.000190401
 H     -2.478082     -2.314347     -0.633212    0.00  -0.000051180   0.000016181   0.000018205
 H     -2.555942     -1.421015     -2.164572    0.00  -0.000029818   0.000006730   0.000013485
 H     -0.988945     -1.836335     -1.440148    0.00  -0.000041768  -0.000016530   0.000021864
 H      0.765159     -1.923724      0.762116    0.00  -0.000013184   0.000019778  -0.000048895
 O      1.029423     -1.530256     -0.143409    0.00   0.000779139  -0.000755707  -0.000534287
 O      2.052845     -0.639606      0.311581    0.00  -0.000064290   0.000074727  -0.000343360
 C      2.729890     -0.234307     -0.853521    0.00   0.000440614  -0.000176944  -0.000044979
 H      2.365197     -0.691675     -1.772329    0.00   0.000096499  -0.000052656   0.000009430
 O      3.611940      0.564613     -0.668804    0.00   0.000058199   0.000257408   0.000104628
26
 Energy =      -0.192320201207
 C     -0.311758      1.932672      0.798487    0.00  -0.000246805   0.000046636   0.000229194
 C     -1.163592      2.208794     -0.445420    0.00   0.000159530  -0.000021611  -0.000063488
 C     -1.354319      0.927419     -1.263319    0.00   0.000166023  -0.000111144   0.000064282
 C     -2.015808     -0.193455     -0.439904    0.00  -0.000171826   0.000095145   0.000080942
 C     -1.316432     -0.374415      0.905855    0.00  -0.000206680   0.000117438   0.000107717
 C     -0.968258      0.873130      1.687450    0.00  -0.000609007   0.000198567   0.000157606
 H     -1.969645      1.134614     -2.159501    0.00   0.000033991  -0.000013222  -0.000006681
 H     -2.145358      2.626407     -0.150949    0.00   0.000015937   0.000014486  -0.000035751
 H     -0.681075      2.985405     -1.069467    0.00   0.000038593  -0.000019099  -0.000001603
 H      0.701493      1.589344      0.500686    0.00  -0.000018632  -0.000004931   0.000049069
 H     -0.157818      2.864173      1.375724    0.00  -0.000029085   0.000007907   0.000013513
 H     -3.074475      0.097701     -0.215624    0.00  -0.000007711   0.000029801  -0.000001056
 H     -1.888829      1.273840      2.158255    0.00  -0.000062654   0.000020425  -0.000028061
 H     -0.296616      0.609912      2.531760    0.00  -0.000083886   0.000028880   0.000034697
 H     -0.373940      0.576591     -1.643002    0.00   0.000014506  -0.000024932   0.000028825
 O     -1.070829     -1.475052      1.364640    0.00   0.000235833   0.000227338  -0.000022701
 C     -2.010191     -1.508168     -1.219939    0.00  -0.000430106   0.000036416   0.000191295
 H     -2.471898     -2.316123     -0.635430    0.00  -0.000052701   0.000016503   0.000018172
 H     -2.552365     -1.421839     -2.166128    0.00  -0.000030548   0.000007066   0.000013445
 H     -0.984151     -1.834302     -1.442700    0.00  -0.000042881  -0.000016969   0.000022243
 H      0.766733     -1.925438      0.765123    0.00  -0.000012455   0.000020381  -0.000046660
 O      1.023696     -1.524658     -0.139230    0.00   0.000780628  -0.000752153  -0.000528748
 O      2.053197     -0.640189      0.313935    0.00  -0.000043574   0.000068694  -0.000334099
 C      2.725620     -0.232496     -0.853022    0.00   0.000439341  -0.000174269  -0.000048453
 H      2.354534     -0.684796     -1.771771    0.00   0.000094651  -0.000051987   0.000007866
 O      3.611360      0.562615     -0.669602    0.00   0.000069519   0.000254632   0.000098434
26
 Energy =      -0.192263102071
 C     -0.309328      1.932217      0.796205    0.00  -0.000250744   0.000044157   0.000232841
 C     -1.165164      2.209014     -0.444765    0.00   0.000162072  -0.000021304  -0.000065785
 C     -1.355947      0.928504     -1.263947    0.00   0.000165079  -0.000111669   0.000063598
 C     -2.014093     -0.194392     -0.440715    0.00  -0.000177915   0.000096855   0.000081495
 C     -1.314358     -0.375609      0.904850    0.00  -0.000210027   0.000117194   0.000106871
 C     -0.962218      0.871165      1.685906    0.00  -0.000623785   0.000200618   0.000160747
 H     -1.973506      1.136060     -2.158518    0.00   0.000034037  -0.000013134  -0.000006871
 H     -2.146789      2.624494     -0.146833    0.00   0.000016213   0.000015054  -0.000036395
 H     -0.685771      2.987407     -1.068982    0.00   0.000039405  -0.000019459  -0.000001810
 H      0.703286      1.590071      0.494990    0.00  -0.000018972  -0.000005640   0.000049867
 H     -0.154408      2.863192      1.374043    0.00  -0.000029282   0.000007713   0.000013779
 H     -3.073339      0.094128     -0.215592    0.00  -0.000008105   0.000030361  -0.000000908
 H     -1.880792      1.271195      2.161272    0.00  -0.000064344   0.000020728  -0.000029040
 H     -0.287102      0.606650      2.527078    0.00  -0.000086097   0.000029399   0.000035680
 H     -0.375911      0.579624     -1.646260    0.00   0.000014411  -0.000025362   0.000028899
 O     -1.072626     -1.476667      1.364825    0.00   0.000249522   0.000226632  -0.000033389
 C     -2.005904     -1.508529     -1.221813    0.00  -0.000441999   0.000037393   0.000192146
 H     -2.465573     -2.317920     -0.637634    0.00  -0.000054205   0.000016815   0.000018136
 H     -2.548724     -1.422698     -2.167667    0.00  -0.000031271   0.000007404   0.000013402
 H     -0.979264     -1.832228     -1.445278    0.00  -0.000043974  -0.000017396   0.000022616
 H      0.768193     -1.927196      0.767909    0.00  -0.000011711   0.000020976  -0.000044426
 O      1.017990     -1.519124     -0.135124    0.00   0.000782460  -0.000748651  -0.000522903
 O      2.053393     -0.640720      0.316216    0.00  -0.000022457   0.000062210  -0.000325135
 C      2.721386     -0.230726     -0.852494    0.00   0.000438138  -0.000171521  -0.000051799
 H      2.344128     -0.678090     -1.771140    0.00   0.000092798  -0.000051270   0.000006369
 O      3.610706      0.560655     -0.670347    0.00   0.000080755   0.000251895   0.000092015
26
 Energy =       -0.19220562256
 C     -0.306876      1.931790      0.793903    0.00  -0.000254598   0.000041544   0.000236440
 C     -1.166750      2.209230     -0.444091    0.00   0.000164637  -0.000020862  -0.000068125
 C     -1.357553      0.929586     -1.264564    0.00   0.000163876  -0.000112022   0.000062885
 C     -2.012329     -0.195341     -0.441526    0.00  -0.000184073   0.000098610   0.000082065
 C     -1.312264     -0.376796      0.903862    0.00  -0.000213525   0.000116984   0.000106084
 C     -0.956071      0.869193      1.684344    0.00  -0.000638914   0.000202836   0.000164009
 H     -1.977343      1.137483     -2.157522    0.00   0.000034036  -0.000013021  -0.000007052
 H     -2.148232      2.622522     -0.142673    0.00   0.000016489   0.000015656  -0.000037036
 H     -0.690536      2.989429     -1.068468    0.00   0.000040232  -0.000019809  -0.000002030
 H      0.705096      1.590881      0.489244    0.00  -0.000019311  -0.000006400   0.000050657
 H     -0.151001      2.862240      1.372343    0.00  -0.000029438   0.000007508   0.000014036
 H     -3.072161      0.090514     -0.215579    0.00  -0.000008516   0.000030913  -0.000000757
 H     -1.872582      1.268519      2.164367    0.00  -0.000066090   0.000021061  -0.000030053
 H     -0.277412      0.603356      2.522285    0.00  -0.000088369   0.000029946   0.000036711
 H     -0.377858      0.582686     -1.649502    0.00   0.000014294  -0.000025777   0.000028941
 O     -1.074511     -1.478263      1.365085    0.00   0.000263110   0.000225796  -0.000044029
 C     -2.001530     -1.508897     -1.223682    0.00  -0.000453761   0.000038409   0.000192953
 H     -2.459113     -2.319735     -0.639822    0.00  -0.000055690   0.000017116   0.000018096
 H     -2.545022     -1.423592     -2.169190    0.00  -0.000031986   0.000007743   0.000013355
 H     -0.974289     -1.830117     -1.447881    0.00  -0.000045047  -0.000017809   0.000022984
 H      0.769541     -1.928996      0.770475    0.00  -0.000010950   0.000021565  -0.000042194
 O      1.012306     -1.513656     -0.131097    0.00   0.000784674  -0.000745248  -0.000516763
 O      2.053432     -0.641194      0.318427    0.00  -0.000000943   0.000055258  -0.000316471
 C      2.717188     -0.228998     -0.851941    0.00   0.000437025  -0.000168703  -0.000055026
 H      2.333982     -0.671564     -1.770441    0.00   0.000090948  -0.000050507   0.000004940
 O      3.609979      0.558734     -0.671037    0.00   0.000091890   0.000249212   0.000085380
26
 Energy =      -0.192147726526
 C     -0.304405      1.931390      0.791583    0.00  -0.000258358   0.000038793   0.000239980
 C     -1.168350      2.209440     -0.443399    0.00   0.000167220  -0.000020274  -0.000070511
 C     -1.359134      0.930662     -1.265170    0.00   0.000162388  -0.000112186   0.000062143
 C     -2.010518     -0.196300     -0.442337    0.00  -0.000190309   0.000100409   0.000082661
 C     -1.310149     -0.377976      0.902892    0.00  -0.000217175   0.000116820   0.000105355
 C     -0.949821      0.867212      1.682761    0.00  -0.000654403   0.000205230   0.000167391
 H     -1.981150      1.138881     -2.156514    0.00   0.000033985  -0.000012881  -0.000007226
 H     -2.149687      2.620490     -0.138473    0.00   0.000016768   0.000016291  -0.000037671
 H     -0.695365      2.991467     -1.067924    0.00   0.000041075  -0.000020152  -0.000002264
 H      0.706922      1.591777      0.483452    0.00  -0.000019650  -0.000007213   0.000051435
 H     -0.147602      2.861319      1.370627    0.00  -0.000029550   0.000007290   0.000014281
 H     -3.070940      0.086862     -0.215585    0.00  -0.000008944   0.000031456  -0.000000600
 H     -1.864199      1.265812      2.167541    0.00  -0.000067892   0.000021426  -0.000031099
 H     -0.267550      0.600029      2.517381    0.00  -0.000090701   0.000030522   0.000037792
 H     -0.379778      0.585772     -1.652722    0.00   0.000014151  -0.000026176   0.000028949
 O     -1.076482     -1.479837      1.365418    0.00   0.000276578   0.000224823  -0.000054603
 C     -1.997075     -1.509272     -1.225545    0.00  -0.000465376   0.000039474   0.000193714
 H     -2.452528     -2.321566     -0.641992    0.00  -0.000057156   0.000017406   0.000018052
 H     -2.541263     -1.424519     -2.170694    0.00  -0.000032689   0.000008085   0.000013304
 H     -0.969233     -1.827973     -1.450506    0.00  -0.000046095  -0.000018207   0.000023348
 H      0.770775     -1.930837      0.772821    0.00  -0.000010177   0.000022150  -0.000039964
 O      1.006644     -1.508256     -0.127151    0.00   0.000787313  -0.000741987  -0.000510345
 O      2.053315     -0.641610      0.320568    0.00   0.000020970   0.000047828  -0.000308111
 C      2.713028     -0.227313     -0.851363    0.00   0.000436014  -0.000165837  -0.000058134
 H      2.324096     -0.665220     -1.769682    0.00   0.000089104  -0.000049704   0.000003585
 O      3.609182      0.556851     -0.671670    0.00   0.000102906   0.000246614   0.000078540
26
 Energy =      -0.192089376678
 C     -0.301919      1.931021      0.789247    0.00  -0.000262014   0.000035896   0.000243445
 C     -1.169962      2.209642     -0.442689    0.00   0.000169822  -0.000019532  -0.000072942
 C     -1.360688      0.931732     -1.265764    0.00   0.000160583  -0.000112149   0.000061376
 C     -2.008661     -0.197270     -0.443147    0.00  -0.000196621   0.000102257   0.000083285
 C     -1.308014     -0.379149      0.901939    0.00  -0.000220986   0.000116704   0.000104685
 C     -0.943470      0.865222      1.681159    0.00  -0.000670259   0.000207812   0.000170900
 H     -1.984919      1.140250     -2.155497    0.00   0.000033879  -0.000012711  -0.000007387
 H     -2.151154      2.618397     -0.134237    0.00   0.000017046   0.000016962  -0.000038299
 H     -0.700257      2.993520     -1.067351    0.00   0.000041931  -0.000020485  -0.000002512
 H      0.708764      1.592764      0.477621    0.00  -0.000019987  -0.000008083   0.000052200
 H     -0.144219      2.860430      1.368897    0.00  -0.000029613   0.000007058   0.000014513
 H     -3.069677      0.083178     -0.215610    0.00  -0.000009390   0.000031989  -0.000000438
 H     -1.855644      1.263071      2.170792    0.00  -0.000069753   0.000021829  -0.000032180
 H     -0.257518      0.596669      2.512363    0.00  -0.000093097   0.000031128   0.000038925
 H     -0.381664      0.588878     -1.655915    0.00   0.000013979  -0.000026560   0.000028918
 O     -1.078534     -1.481388      1.365824    0.00   0.000289917   0.000223716  -0.000065101
 C     -1.992543     -1.509655     -1.227401    0.00  -0.000476825   0.000040594   0.000194429
 H     -2.445826     -2.323411     -0.644141    0.00  -0.000058601   0.000017686   0.000018001
 H     -2.537452     -1.425479     -2.172179    0.00  -0.000033379   0.000008430   0.000013247
 H     -0.964103     -1.825799     -1.453152    0.00  -0.000047117  -0.000018590   0.000023709
 H      0.771899     -1.932717      0.774951    0.00  -0.000009393   0.000022726  -0.000037739
 O      1.001003     -1.502924     -0.123289    0.00   0.000790412  -0.000738911  -0.000503658
 O      2.053040     -0.641965      0.322641    0.00   0.000043283   0.000039903  -0.000300056
 C      2.708907     -0.225672     -0.850762    0.00   0.000435128  -0.000162932  -0.000061122
 H      2.314473     -0.659064     -1.768869    0.00   0.000087276  -0.000048861   0.000002303
 O      3.608318      0.555006     -0.672246    0.00   0.000113778   0.000244124   0.000071499
26
 Energy =      -0.192030534654
 C     -0.299419      1.930682      0.786900    0.00  -0.000265555   0.000032847   0.000246824
 C     -1.171585      2.209835     -0.441961    0.00   0.000172433  -0.000018625  -0.000075414
 C     -1.362209      0.932791     -1.266345    0.00   0.000158430  -0.000111899   0.000060582
 C     -2.006759     -0.198249     -0.443957    0.00  -0.000203016   0.000104159   0.000083939
 C     -1.305858     -0.380313      0.901003    0.00  -0.000224961   0.000116648   0.000104079
 C     -0.937019      0.863223      1.679538    0.00  -0.000686492   0.000210594   0.000174539
 H     -1.988643      1.141587     -2.154474    0.00   0.000033712  -0.000012511  -0.000007536
 H     -2.152631      2.616242     -0.129969    0.00   0.000017325   0.000017671  -0.000038919
 H     -0.705209      2.995584     -1.066747    0.00   0.000042801  -0.000020807  -0.000002774
 H      0.710619      1.593846      0.471757    0.00  -0.000020323  -0.000009012   0.000052948
 H     -0.140861      2.859576      1.367158    0.00  -0.000029625   0.000006812   0.000014729
 H     -3.068371      0.079464     -0.215654    0.00  -0.000009854   0.000032510  -0.000000270
 H     -1.846917      1.260294      2.174121    0.00  -0.000071675   0.000022268  -0.000033297
 H     -0.247318      0.593275      2.507231    0.00  -0.000095557   0.000031765   0.000040113
 H     -0.383513      0.592000     -1.659074    0.00   0.000013775  -0.000026925   0.000028847
 O     -1.080665     -1.482914      1.366299    0.00   0.000303118   0.000222474  -0.000075516
 C     -1.987940     -1.510047     -1.229248    0.00  -0.000488097   0.000041775   0.000195094
 H     -2.439016     -2.325268     -0.646269    0.00  -0.000060025   0.000017956   0.000017944
 H     -2.533594     -1.426471     -2.173642    0.00  -0.000034049   0.000008780   0.000013183
 H     -0.958907     -1.823600     -1.455815    0.00  -0.000048110  -0.000018955   0.000024071
 H      0.772911     -1.934633      0.776865    0.00  -0.000008597   0.000023296  -0.000035519
 O      0.995385     -1.497661     -0.119515    0.00   0.000794007  -0.000736068  -0.000496714
 O      2.052607     -0.642256      0.324648    0.00   0.000066000   0.000031467  -0.000292304
 C      2.704826     -0.224076     -0.850140    0.00   0.000434377  -0.000160004  -0.000063992
 H      2.305112     -0.653097     -1.768009    0.00   0.000085465  -0.000047986   0.000001096
 O      3.607387      0.553198     -0.672764    0.00   0.000124492   0.000241771   0.000064266
26
 Energy =      -0.191971160966
 C     -0.296909      1.930374      0.784542    0.00  -0.000268977   0.000029645   0.000250098
 C     -1.173218      2.210017     -0.441216    0.00   0.000175050  -0.000017545  -0.000077929
 C     -1.363695      0.933837     -1.266913    0.00   0.000155900  -0.000111422   0.000059768
 C     -2.004813     -0.199239     -0.444765    0.00  -0.000209502   0.000106113   0.000084626
 C     -1.303682     -0.381471      0.900084    0.00  -0.000229102   0.000116655   0.000103538
 C     -0.930471      0.861215      1.677899    0.00  -0.000703110   0.000213585   0.000178310
 H     -1.992312      1.142888     -2.153447    0.00   0.000033481  -0.000012279  -0.000007670
 H     -2.154118      2.614022     -0.125674    0.00   0.000017605   0.000018419  -0.000039528
 H     -0.710218      2.997658     -1.066112    0.00   0.000043686  -0.000021119  -0.000003052
 H      0.712487      1.595028      0.465866    0.00  -0.000020659  -0.000010004   0.000053679
 H     -0.137533      2.858757      1.365411    0.00  -0.000029580   0.000006552   0.000014926
 H     -3.067023      0.075726     -0.215718    0.00  -0.000010339   0.000033018  -0.000000095
 H     -1.838021      1.257480      2.177527    0.00  -0.000073661   0.000022748  -0.000034452
 H     -0.236955      0.589846      2.501982    0.00  -0.000098083   0.000032437   0.000041361
 H     -0.385319      0.595132     -1.662195    0.00   0.000013535  -0.000027270   0.000028735
 O     -1.082869     -1.484414      1.366843    0.00   0.000316174   0.000221101  -0.000085841
 C     -1.983273     -1.510446     -1.231084    0.00  -0.000499171   0.000043032   0.000195712
 H     -2.432107     -2.327134     -0.648373    0.00  -0.000061429   0.000018215   0.000017878
 H     -2.529696     -1.427494     -2.175084    0.00  -0.000034699   0.000009133   0.000013111
 H     -0.953651     -1.821379     -1.458495    0.00  -0.000049074  -0.000019302   0.000024436
 H      0.773815     -1.936585      0.778566    0.00  -0.000007793   0.000023859  -0.000033303
 O      0.989787     -1.492467     -0.115831    0.00   0.000798137  -0.000733505  -0.000489518
 O      2.052017     -0.642480      0.326590    0.00   0.000089124   0.000022505  -0.000284856
 C      2.700786     -0.222525     -0.849499    0.00   0.000433782  -0.000157075  -0.000066747
 H      2.296012     -0.647321     -1.767107    0.00   0.000083682  -0.000047081  -0.000000035
 O      3.606395      0.551428     -0.673224    0.00   0.000135022   0.000239583   0.000056849
26
 Energy =      -0.191911214989
 C     -0.294392      1.930100      0.782177    0.00  -0.000272265   0.000026279   0.000253257
 C     -1.174861      2.210187     -0.440455    0.00   0.000177666  -0.000016282  -0.000080486
 C     -1.365141      0.934868     -1.267468    0.00   0.000152962  -0.000110705   0.000058936
 C     -2.002824     -0.200237     -0.445572    0.00  -0.000216083   0.000108133   0.000085349
 C     -1.301487     -0.382620      0.899181    0.00  -0.000233419   0.000116738   0.000103058
 C     -0.923829      0.859197      1.676240    0.00  -0.000720121   0.000216798   0.000182218
 H     -1.995918      1.144149     -2.152421    0.00   0.000033180  -0.000012013  -0.000007787
 H     -2.155615      2.611737     -0.121356    0.00   0.000017885   0.000019207  -0.000040127
 H     -0.715281      2.999738     -1.065446    0.00   0.000044585  -0.000021416  -0.000003345
 H      0.714367      1.596314      0.459954    0.00  -0.000020994  -0.000011061   0.000054387
 H     -0.134246      2.857976      1.363662    0.00  -0.000029478   0.000006276   0.000015103
 H     -3.065632      0.071968     -0.215802    0.00  -0.000010844   0.000033512   0.000000088
 H     -1.828956      1.254625      2.181011    0.00  -0.000075716   0.000023270  -0.000035644
 H     -0.226430      0.586382      2.496616    0.00  -0.000100677   0.000033143   0.000042670
 H     -0.387076      0.598270     -1.665272    0.00   0.000013253  -0.000027594   0.000028575
 O     -1.085145     -1.485887      1.367452    0.00   0.000329087   0.000219595  -0.000096066
 C     -1.978548     -1.510854     -1.232908    0.00  -0.000510036   0.000044368   0.000196279
 H     -2.425108     -2.329007     -0.650450    0.00  -0.000062811   0.000018467   0.000017802
 H     -2.525762     -1.428548     -2.176501    0.00  -0.000035324   0.000009494   0.000013029
 H     -0.948344     -1.819142     -1.461190    0.00  -0.000050005  -0.000019631   0.000024805
 H      0.774612     -1.938568      0.780056    0.00  -0.000006981   0.000024415  -0.000031092
 O      0.984211     -1.487343     -0.112239    0.00   0.000802835  -0.000731271  -0.000482087
 O      2.051271     -0.642635      0.328470    0.00   0.000112664   0.000012999  -0.000277702
 C      2.696786     -0.221018     -0.848841    0.00   0.000433360  -0.000154162  -0.000069389
 H      2.287171     -0.641738     -1.766171    0.00   0.000081930  -0.000046153  -0.000001090
 O      3.605342      0.549693     -0.673624    0.00   0.000145348   0.000237595   0.000049259
26
 Energy =      -0.191850654882
 C     -0.291870      1.929860      0.779809    0.00  -0.000275411   0.000022745   0.000256277
 C     -1.176511      2.210342     -0.439677    0.00   0.000180277  -0.000014828  -0.000083082
 C     -1.366543      0.935881     -1.268009    0.00   0.000149584  -0.000109737   0.000058084
 C     -2.000795     -0.201245     -0.446377    0.00  -0.000222759   0.000110212   0.000086111
 C     -1.299272     -0.383762      0.898294    0.00  -0.000237911   0.000116905   0.000102649
 C     -0.917095      0.857169      1.674563    0.00  -0.000737552   0.000220247   0.000186272
 H     -1.999453      1.145368     -2.151398    0.00   0.000032805  -0.000011712  -0.000007883
 H     -2.157122      2.609384     -0.117020    0.00   0.000018167   0.000020039  -0.000040711
 H     -0.720394      3.001822     -1.064748    0.00   0.000045497  -0.000021701  -0.000003656
 H      0.716257      1.597708      0.454030    0.00  -0.000021330  -0.000012186   0.000055074
 H     -0.131006      2.857233      1.361914    0.00  -0.000029314   0.000005984   0.000015256
 H     -3.064200      0.068196     -0.215905    0.00  -0.000011370   0.000033990   0.000000280
 H     -1.819723      1.251728      2.184571    0.00  -0.000077840   0.000023838  -0.000036876
 H     -0.215748      0.582883      2.491130    0.00  -0.000103340   0.000033885   0.000044043
 H     -0.388779      0.601409     -1.668297    0.00   0.000012927  -0.000027894   0.000028369
 O     -1.087486     -1.487330      1.368123    0.00   0.000341847   0.000217960  -0.000106196
 C     -1.973771     -1.511270     -1.234719    0.00  -0.000520675   0.000045799   0.000196798
 H     -2.418028     -2.330886     -0.652499    0.00  -0.000064173   0.000018712   0.000017714
 H     -2.521799     -1.429633     -2.177893    0.00  -0.000035920   0.000009861   0.000012937
 H     -0.942992     -1.816892     -1.463898    0.00  -0.000050904  -0.000019939   0.000025181
 H      0.775304     -1.940582      0.781337    0.00  -0.000006163   0.000024962  -0.000028884
 O      0.978654     -1.482288     -0.108742    0.00   0.000808137  -0.000729418  -0.000474427
 O      2.050368     -0.642718      0.330289    0.00   0.000136626   0.000002929  -0.000270845
 C      2.692828     -0.219557     -0.848167    0.00   0.000433130  -0.000151292  -0.000071923
 H      2.278588     -0.636348     -1.765206    0.00   0.000080214  -0.000045204  -0.000002070
 O      3.604234      0.547993     -0.673965    0.00   0.000155448   0.000235842   0.000041506
26
 Energy =      -0.191789437475
 C     -0.289348      1.929654      0.777439    0.00  -0.000278412   0.000019040   0.000259159
 C     -1.178167      2.210483     -0.438884    0.00   0.000182884  -0.000013169  -0.000085714
 C     -1.367897      0.936873     -1.268537    0.00   0.000145733  -0.000108505   0.000057222
 C     -1.998725     -0.202261     -0.447181    0.00  -0.000229556   0.000112365   0.000086922
 C     -1.297038     -0.384895      0.897423    0.00  -0.000242592   0.000117163   0.000102305
 C     -0.910272      0.855129      1.672869    0.00  -0.000755381   0.000223939   0.000190456
 H     -2.002907      1.146540     -2.150382    0.00   0.000032353  -0.000011375  -0.000007957
 H     -2.158637      2.606963     -0.112671    0.00   0.000018449   0.000020915  -0.000041281
 H     -0.725555      3.003906     -1.064019    0.00   0.000046421  -0.000021971  -0.000003982
 H      0.718155      1.599215      0.448099    0.00  -0.000021665  -0.000013384   0.000055733
 H     -0.127822      2.856531      1.360171    0.00  -0.000029083   0.000005677   0.000015381
 H     -3.062724      0.064413     -0.216029    0.00  -0.000011920   0.000034454   0.000000476
 H     -1.810325      1.248786      2.188208    0.00  -0.000080042   0.000024455  -0.000038151
 H     -0.204913      0.579349      2.485524    0.00  -0.000106078   0.000034666   0.000045490
 H     -0.390421      0.604544     -1.671266    0.00   0.000012555  -0.000028170   0.000028113
 O     -1.089890     -1.488744      1.368856    0.00   0.000354455   0.000216200  -0.000116218
 C     -1.968949     -1.511696     -1.236515    0.00  -0.000531079   0.000047329   0.000197267
 H     -2.410877     -2.332769     -0.654517    0.00  -0.000065514   0.000018948   0.000017614
 H     -2.517815     -1.430746     -2.179258    0.00  -0.000036483   0.000010237   0.000012831
 H     -0.937605     -1.814633     -1.466618    0.00  -0.000051766  -0.000020226   0.000025571
 H      0.775892     -1.942623      0.782412    0.00  -0.000005334   0.000025498  -0.000026679
 O      0.973117     -1.477302     -0.105342    0.00   0.000814073  -0.000727990  -0.000466552
 O      2.049311     -0.642727      0.332048    0.00   0.000161029  -0.000007736  -0.000264276
 C      2.688911     -0.218139     -0.847479    0.00   0.000433116  -0.000148468  -0.000074353
 H      2.270258     -0.631150     -1.764216    0.00   0.000078547  -0.000044250  -0.000002973
 O      3.603072      0.546326     -0.674247    0.00   0.000165293   0.000234357   0.000033596
26
 Energy =      -0.191727518172
 C     -0.286829      1.929484      0.775073    0.00  -0.000281251   0.000015157   0.000261866
 C     -1.179828      2.210606     -0.438076    0.00   0.000185465  -0.000011301  -0.000088384
 C     -1.369199      0.937842     -1.269050    0.00   0.000141387  -0.000106999   0.000056352
 C     -1.996617     -0.203287     -0.447983    0.00  -0.000236464   0.000114594   0.000087778
 C     -1.294786     -0.386022      0.896567    0.00  -0.000247462   0.000117533   0.000102028
 C     -0.903364      0.853079      1.671156    0.00  -0.000773653   0.000227894   0.000194803
 H     -2.006273      1.147662     -2.149377    0.00   0.000031818  -0.000011002  -0.000008007
 H     -2.160161      2.604473     -0.108313    0.00   0.000018731   0.000021836  -0.000041835
 H     -0.730760      3.005988     -1.063258    0.00   0.000047359  -0.000022224  -0.000004324
 H      0.720062      1.600838      0.442170    0.00  -0.000022002  -0.000014655   0.000056367
 H     -0.124702      2.855870      1.358438    0.00  -0.000028784   0.000005352   0.000015478
 H     -3.061207      0.060626     -0.216172    0.00  -0.000012492   0.000034898   0.000000683
 H     -1.800763      1.245796      2.191921    0.00  -0.000082321   0.000025119  -0.000039468
 H     -0.193929      0.575778      2.479797    0.00  -0.000108888   0.000035485   0.000047006
 H     -0.391997      0.607670     -1.674172    0.00   0.000012127  -0.000028417   0.000027806
 O     -1.092352     -1.490127      1.369647    0.00   0.000366905   0.000214313  -0.000126132
 C     -1.964089     -1.512132     -1.238295    0.00  -0.000541230   0.000048973   0.000197687
 H     -2.403662     -2.334653     -0.656502    0.00  -0.000066837   0.000019178   0.000017500
 H     -2.513815     -1.431889     -2.180593    0.00  -0.000037011   0.000010622   0.000012712
 H     -0.932190     -1.812370     -1.469350    0.00  -0.000052592  -0.000020491   0.000025971
 H      0.776378     -1.944690      0.783283    0.00  -0.000004505   0.000026027  -0.000024476
 O      0.967598     -1.472382     -0.102040    0.00   0.000820688  -0.000727055  -0.000458475
 O      2.048099     -0.642660      0.333750    0.00   0.000185882  -0.000019006  -0.000257997
 C      2.685036     -0.216764     -0.846778    0.00   0.000433329  -0.000145734  -0.000076681
 H      2.262179     -0.626142     -1.763209    0.00   0.000076928  -0.000043287  -0.000003805
 O      3.601862      0.544690     -0.674470    0.00   0.000174873   0.000233189   0.000025548
26
 Energy =      -0.191664850819
 C     -0.284314      1.929351      0.772711    0.00  -0.000283923   0.000011091   0.000264393
 C     -1.181492      2.210710     -0.437254    0.00   0.000188027  -0.000009211  -0.000091087
 C     -1.370443      0.938786     -1.269550    0.00   0.000136506  -0.000105201   0.000055474
 C     -1.994471     -0.204320     -0.448782    0.00  -0.000243496   0.000116902   0.000088683
 C     -1.292515     -0.387140      0.895726    0.00  -0.000252523   0.000118004   0.000101830
 C     -0.896372      0.851016      1.669427    0.00  -0.000792375   0.000232119   0.000199298
 H     -2.009539      1.148730     -2.148386    0.00   0.000031196  -0.000010590  -0.000008030
 H     -2.161693      2.601911     -0.103952    0.00   0.000019014   0.000022805  -0.000042371
 H     -0.736005      3.008064     -1.062466    0.00   0.000048307  -0.000022461  -0.000004685
 H      0.721975      1.602582      0.436249    0.00  -0.000022341  -0.000016006   0.000056968
 H     -0.121655      2.855251      1.356719    0.00  -0.000028411   0.000005009   0.000015542
 H     -3.059649      0.056838     -0.216335    0.00  -0.000013088   0.000035324   0.000000897
 H     -1.791039      1.242757      2.195709    0.00  -0.000084682   0.000025841  -0.000040829
 H     -0.182800      0.572170      2.473947    0.00  -0.000111775   0.000036348   0.000048601
 H     -0.393500      0.610781     -1.677009    0.00   0.000011645  -0.000028639   0.000027445
 O     -1.094867     -1.491478      1.370493    0.00   0.000379178   0.000212318  -0.000135936
 C     -1.959197     -1.512578     -1.240058    0.00  -0.000551122   0.000050744   0.000198066
 H     -2.396394     -2.336538     -0.658451    0.00  -0.000068142   0.000019404   0.000017368
 H     -2.509809     -1.433061     -2.181898    0.00  -0.000037495   0.000011019   0.000012576
 H     -0.926755     -1.810107     -1.472093    0.00  -0.000053379  -0.000020735   0.000026393
 H      0.776766     -1.946778      0.783954    0.00  -0.000003668   0.000026546  -0.000022274
 O      0.962097     -1.467528     -0.098836    0.00   0.000828016  -0.000726663  -0.000450216
 O      2.046735     -0.642513      0.335395    0.00   0.000211202  -0.000030920  -0.000251993
 C      2.681202     -0.215432     -0.846067    0.00   0.000433805  -0.000143101  -0.000078918
 H      2.254345     -0.621321     -1.762187    0.00   0.000075363  -0.000042326  -0.000004564
 O      3.600605      0.543084     -0.674634    0.00   0.000184161   0.000232377   0.000017367
26
 Energy =      -0.191601387553
 C     -0.281809      1.929255      0.770359    0.00  -0.000286425   0.000006840   0.000266721
 C     -1.183158      2.210793     -0.436418    0.00   0.000190553  -0.000006888  -0.000093816
 C     -1.371626      0.939700     -1.270035    0.00   0.000131069  -0.000103111   0.000054592
 C     -1.992290     -0.205361     -0.449579    0.00  -0.000250660   0.000119299   0.000089641
 C     -1.290227     -0.388251      0.894900    0.00  -0.000257800   0.000118601   0.000101699
 C     -0.889301      0.848940      1.667681    0.00  -0.000811552   0.000236632   0.000203957
 H     -2.012699      1.149742     -2.147414    0.00   0.000030485  -0.000010140  -0.000008021
 H     -2.163232      2.599278     -0.099593    0.00   0.000019298   0.000023821  -0.000042887
 H     -0.741286      3.010132     -1.061641    0.00   0.000049268  -0.000022679  -0.000005062
 H      0.723894      1.604451      0.430345    0.00  -0.000022681  -0.000017438   0.000057536
 H     -0.118689      2.854676      1.355019    0.00  -0.000027961   0.000004649   0.000015570
 H     -3.058048      0.053055     -0.216519    0.00  -0.000013708   0.000035730   0.000001122
 H     -1.781155      1.239666      2.199571    0.00  -0.000087129   0.000026618  -0.000042233
 H     -0.171530      0.568525      2.467973    0.00  -0.000114738   0.000037252   0.000050276
 H     -0.394924      0.613873     -1.679772    0.00   0.000011100  -0.000028829   0.000027030
 O     -1.097431     -1.492796      1.371392    0.00   0.000391272   0.000210213  -0.000145617
 C     -1.954280     -1.513035     -1.241802    0.00  -0.000560736   0.000052647   0.000198397
 H     -2.389080     -2.338421     -0.660362    0.00  -0.000069430   0.000019627   0.000017220
 H     -2.505802     -1.434261     -2.183170    0.00  -0.000037935   0.000011429   0.000012424
 H     -0.921310     -1.807848     -1.474848    0.00  -0.000054128  -0.000020957   0.000026835
 H      0.777058     -1.948886      0.784426    0.00  -0.000002829   0.000027054  -0.000020070
 O      0.956612     -1.462738     -0.095734    0.00   0.000836097  -0.000726873  -0.000441791
 O      2.045221     -0.642286      0.336986    0.00   0.000237013  -0.000043498  -0.000246271
 C      2.677409     -0.214142     -0.845346    0.00   0.000434569  -0.000140595  -0.000081065
 H      2.246751     -0.616684     -1.761156    0.00   0.000073861  -0.000041373  -0.000005254
 O      3.599307      0.541504     -0.674741    0.00   0.000193129   0.000231966   0.000009068
26
 Energy =       -0.19153707867
 C     -0.279315      1.929198      0.768020    0.00  -0.000288739   0.000002399   0.000268829
 C     -1.184824      2.210855     -0.435570    0.00   0.000193036  -0.000004329  -0.000096574
 C     -1.372744      0.940584     -1.270507    0.00   0.000125045  -0.000100711   0.000053717
 C     -1.990074     -0.206411     -0.450374    0.00  -0.000257964   0.000121790   0.000090656
 C     -1.287922     -0.389355      0.894088    0.00  -0.000263291   0.000119329   0.000101649
 C     -0.882154      0.846852      1.665918    0.00  -0.000831196   0.000241445   0.000208782
 H     -2.015742      1.150695     -2.146464    0.00   0.000029682  -0.000009651  -0.000007981
 H     -2.164777      2.596572     -0.095241    0.00   0.000019581   0.000024887  -0.000043381
 H     -0.746599      3.012189     -1.060786    0.00   0.000050237  -0.000022877  -0.000005456
 H      0.725817      1.606448      0.424465    0.00  -0.000023026  -0.000018953   0.000058067
 H     -0.115812      2.854146      1.353343    0.00  -0.000027432   0.000004271   0.000015558
 H     -3.056407      0.049283     -0.216722    0.00  -0.000014354   0.000036116   0.000001354
 H     -1.771114      1.236521      2.203507    0.00  -0.000089669   0.000027457  -0.000043684
 H     -0.160124      0.564842      2.461874    0.00  -0.000117782   0.000038200   0.000052038
 H     -0.396263      0.616940     -1.682455    0.00   0.000010491  -0.000028989   0.000026560
 O     -1.100041     -1.494080      1.372341    0.00   0.000403155   0.000208008  -0.000155173
 C     -1.949345     -1.513503     -1.243525    0.00  -0.000570071   0.000054695   0.000198693
 H     -2.381730     -2.340302     -0.662233    0.00  -0.000070705   0.000019849   0.000017050
 H     -2.501804     -1.435489     -2.184406    0.00  -0.000038322   0.000011855   0.000012251
 H     -0.915861     -1.805598     -1.477613    0.00  -0.000054835  -0.000021155   0.000027307
 H      0.777255     -1.951010      0.784704    0.00  -0.000001988   0.000027552  -0.000017866
 O      0.951142     -1.458009     -0.092732    0.00   0.000844971  -0.000727745  -0.000433223
 O      2.043557     -0.641976      0.338525    0.00   0.000263337  -0.000056779  -0.000240824
 C      2.673656     -0.212891     -0.844618    0.00   0.000435642  -0.000138245  -0.000083135
 H      2.239391     -0.612228     -1.760120    0.00   0.000072430  -0.000040437  -0.000005877
 O      3.597970      0.539949     -0.674789    0.00   0.000201769   0.000232019   0.000000663
26
 Energy =      -0.191471872471
 C     -0.276837      1.929179      0.765697    0.00  -0.000290864  -0.000002236   0.000270704
 C     -1.186488      2.210892     -0.434710    0.00   0.000195464  -0.000001520  -0.000099354
 C     -1.373792      0.941434     -1.270964    0.00   0.000118408  -0.000097999   0.000052846
 C     -1.987826     -0.207468     -0.451167    0.00  -0.000265427   0.000124384   0.000091724
 C     -1.285599     -0.390453      0.893289    0.00  -0.000269009   0.000120210   0.000101672
 C     -0.874935      0.844750      1.664139    0.00  -0.000851321   0.000246557   0.000213780
 H     -2.018660      1.151584     -2.145539    0.00   0.000028785  -0.000009123  -0.000007907
 H     -2.166329      2.593793     -0.090902    0.00   0.000019860   0.000026001  -0.000043852
 H     -0.751940      3.014232     -1.059899    0.00   0.000051216  -0.000023052  -0.000005866
 H      0.727744      1.608578      0.418617    0.00  -0.000023372  -0.000020556   0.000058559
 H     -0.113033      2.853660      1.351695    0.00  -0.000026819   0.000003876   0.000015504
 H     -3.054724      0.045525     -0.216946    0.00  -0.000015026   0.000036480   0.000001596
 H     -1.760918      1.233318      2.207516    0.00  -0.000092304   0.000028364  -0.000045179
 H     -0.148589      0.561122      2.455649    0.00  -0.000120907   0.000039196   0.000053891
 H     -0.397511      0.619977     -1.685052    0.00   0.000009812  -0.000029115   0.000026034
 O     -1.102690     -1.495330      1.373338    0.00   0.000414801   0.000205707  -0.000164583
 C     -1.944399     -1.513984     -1.245228    0.00  -0.000579104   0.000056902   0.000198956
 H     -2.374352     -2.342179     -0.664059    0.00  -0.000071968   0.000020072   0.000016860
 H     -2.497823     -1.436746     -2.185605    0.00  -0.000038653   0.000012297   0.000012058
 H     -0.910418     -1.803360     -1.480391    0.00  -0.000055502  -0.000021333   0.000027811
 H      0.777362     -1.953147      0.784790    0.00  -0.000001145   0.000028042  -0.000015657
 O      0.945686     -1.453340     -0.089832    0.00   0.000854681  -0.000729341  -0.000424537
 O      2.041746     -0.641580      0.340012    0.00   0.000290203  -0.000070794  -0.000235663
 C      2.669943     -0.211678     -0.843882    0.00   0.000437058  -0.000136092  -0.000085132
 H      2.232258     -0.607945     -1.759082    0.00   0.000071075  -0.000039526  -0.000006436
 O      3.596600      0.538416     -0.674782    0.00   0.000210057   0.000232599  -0.000007830
26
 Energy =      -0.191405715114
 C     -0.274377      1.929200      0.763394    0.00  -0.000292788  -0.000007061   0.000272322
 C     -1.188149      2.210905     -0.433839    0.00   0.000197824   0.000001542  -0.000102150
 C     -1.374766      0.942248     -1.271407    0.00   0.000111136  -0.000094963   0.000051989
 C     -1.985545     -0.208532     -0.451956    0.00  -0.000273049   0.000127084   0.000092856
 C     -1.283260     -0.391544      0.892503    0.00  -0.000274986   0.000121236   0.000101797
 C     -0.867647      0.842634      1.662345    0.00  -0.000871936   0.000252005   0.000218955
 H     -2.021445      1.152409     -2.144645    0.00   0.000027789  -0.000008554  -0.000007797
 H     -2.167885      2.590940     -0.086581    0.00   0.000020141   0.000027165  -0.000044295
 H     -0.757303      3.016257     -1.058981    0.00   0.000052199  -0.000023205  -0.000006294
 H      0.729673      1.610843      0.412810    0.00  -0.000023725  -0.000022248   0.000059009
 H     -0.110360      2.853221      1.350081    0.00  -0.000026119   0.000003461   0.000015403
 H     -3.053002      0.041787     -0.217189    0.00  -0.000015724   0.000036822   0.000001845
 H     -1.750569      1.230056      2.211595    0.00  -0.000095037   0.000029333  -0.000046720
 H     -0.136928      0.557363      2.449298    0.00  -0.000124111   0.000040233   0.000055839
 H     -0.398661      0.622979     -1.687559    0.00   0.000009063  -0.000029209   0.000025452
 O     -1.105374     -1.496546      1.374378    0.00   0.000426171   0.000203336  -0.000173849
 C     -1.939449     -1.514477     -1.246909    0.00  -0.000587835   0.000059276   0.000199193
 H     -2.366953     -2.344051     -0.665840    0.00  -0.000073224   0.000020298   0.000016645
 H     -2.493867     -1.438030     -2.186765    0.00  -0.000038920   0.000012756   0.000011841
 H     -0.904988     -1.801139     -1.483183    0.00  -0.000056125  -0.000021488   0.000028356
 H      0.777380     -1.955295      0.784688    0.00  -0.000000303   0.000028520  -0.000013443
 O      0.940242     -1.448726     -0.087032    0.00   0.000865268  -0.000731725  -0.000415767
 O      2.039790     -0.641097      0.341450    0.00   0.000317646  -0.000085580  -0.000230776
 C      2.666268     -0.210501     -0.843142    0.00   0.000438874  -0.000134145  -0.000087073
 H      2.225345     -0.603832     -1.758047    0.00   0.000069806  -0.000038649  -0.000006935
 O      3.595201      0.536901     -0.674719    0.00   0.000217960   0.000233758  -0.000016404
26
 Energy =      -0.191338550449
 C     -0.271938      1.929260      0.761114    0.00  -0.000294515  -0.000012076   0.000273668
 C     -1.189804      2.210890     -0.432958    0.00   0.000200105   0.000004865  -0.000104951
 C     -1.375661      0.943024     -1.271836    0.00   0.000103216  -0.000091594   0.000051147
 C     -1.983235     -0.209604     -0.452743    0.00  -0.000280844   0.000129903   0.000094056
 C     -1.280905     -0.392629      0.891730    0.00  -0.000281235   0.000122428   0.000102008
 C     -0.860294      0.840503      1.660536    0.00  -0.000893045   0.000257787   0.000224310
 H     -2.024089      1.153165     -2.143785    0.00   0.000026693  -0.000007945  -0.000007647
 H     -2.169446      2.588013     -0.082283    0.00   0.000020419   0.000028378  -0.000044712
 H     -0.762685      3.018261     -1.058034    0.00   0.000053186  -0.000023332  -0.000006738
 H      0.731603      1.613247      0.407051    0.00  -0.000024081  -0.000024034   0.000059414
 H     -0.107800      2.852827      1.348505    0.00  -0.000025328   0.000003029   0.000015251
 H     -3.051239      0.038073     -0.217452    0.00  -0.000016448   0.000037142   0.000002099
 H     -1.740072      1.226732      2.215744    0.00  -0.000097871   0.000030372  -0.000048303
 H     -0.125148      0.553566      2.442820    0.00  -0.000127395   0.000041319   0.000057887
 H     -0.399708      0.625941     -1.689970    0.00   0.000008239  -0.000029268   0.000024813
 O     -1.108088     -1.497728      1.375459    0.00   0.000437210   0.000200900  -0.000182940
 C     -1.934501     -1.514984     -1.248567    0.00  -0.000596248   0.000061821   0.000199414
 H     -2.359541     -2.345918     -0.667573    0.00  -0.000074477   0.000020531   0.000016405
 H     -2.489947     -1.439343     -2.187882    0.00  -0.000039117   0.000013238   0.000011596
 H     -0.899581     -1.798937     -1.485989    0.00  -0.000056705  -0.000021624   0.000028948
 H      0.777313     -1.957450      0.784400    0.00   0.000000541   0.000028988  -0.000011223
 O      0.934809     -1.444166     -0.084334    0.00   0.000876780  -0.000734958  -0.000406943
 O      2.037690     -0.640525      0.342840    0.00   0.000345701  -0.000101188  -0.000226176
 C      2.662631     -0.209358     -0.842397    0.00   0.000441125  -0.000132440  -0.000088966
 H      2.218642     -0.599879     -1.757016    0.00   0.000068630  -0.000037817  -0.000007379
 O      3.593775      0.535402     -0.674603    0.00   0.000225467   0.000235571  -0.000025040
26
 Energy =      -0.191270319875
 C     -0.269524      1.929361      0.758862    0.00  -0.000296030  -0.000017281   0.000274718
 C     -1.191452      2.210848     -0.432068    0.00   0.000202282   0.000008457  -0.000107753
 C     -1.376475      0.943759     -1.272251    0.00   0.000094623  -0.000087896   0.000050324
 C     -1.980895     -0.210682     -0.453528    0.00  -0.000288828   0.000132846   0.000095317
 C     -1.278533     -0.393708      0.890968    0.00  -0.000287774   0.000123802   0.000102324
 C     -0.852880      0.838357      1.658713    0.00  -0.000914657   0.000263913   0.000229858
 H     -2.026583      1.153851     -2.142961    0.00   0.000025498  -0.000007297  -0.000007458
 H     -2.171010      2.585013     -0.078015    0.00   0.000020693   0.000029640  -0.000045098
 H     -0.768080      3.020241     -1.057057    0.00   0.000054174  -0.000023431  -0.000007196
 H      0.733533      1.615793      0.401348    0.00  -0.000024443  -0.000025912   0.000059771
 H     -0.105362      2.852480      1.346974    0.00  -0.000024446   0.000002581   0.000015047
 H     -3.049437      0.034389     -0.217735    0.00  -0.000017200   0.000037440   0.000002360
 H     -1.729430      1.223344      2.219960    0.00  -0.000100812   0.000031485  -0.000049929
 H     -0.113256      0.549732      2.436214    0.00  -0.000130759   0.000042450   0.000060039
 H     -0.400647      0.628859     -1.692282    0.00   0.000007338  -0.000029289   0.000024121
 O     -1.110826     -1.498874      1.376579    0.00   0.000447851   0.000198419  -0.000191838
 C     -1.929563     -1.515505     -1.250200    0.00  -0.000604340   0.000064552   0.000199627
 H     -2.352123     -2.347779     -0.669255    0.00  -0.000075732   0.000020771   0.000016139
 H     -2.486070     -1.440685     -2.188955    0.00  -0.000039236   0.000013742   0.000011324
 H     -0.894203     -1.796758     -1.488813    0.00  -0.000057241  -0.000021742   0.000029596
 H      0.777164     -1.959609      0.783931    0.00   0.000001384   0.000029446  -0.000008993
 O      0.929386     -1.439656     -0.081736    0.00   0.000889267  -0.000739108  -0.000398109
 O      2.035450     -0.639863      0.344184    0.00   0.000374414  -0.000117658  -0.000221873
 C      2.659029     -0.208247     -0.841649    0.00   0.000443853  -0.000131013  -0.000090823
 H      2.212142     -0.596081     -1.755993    0.00   0.000067556  -0.000037038  -0.000007771
 O      3.592329      0.533914     -0.674434    0.00   0.000232564   0.000238120  -0.000033725
26
 Energy =      -0.191200962167
 C     -0.267137      1.929502      0.756640    0.00  -0.000297337  -0.000022672   0.000275462
 C     -1.193091      2.210776     -0.431170    0.00   0.000204342   0.000012324  -0.000110544
 C     -1.377203      0.944451     -1.272653    0.00   0.000085349  -0.000083862   0.000049529
 C     -1.978528     -0.211768     -0.454309    0.00  -0.000297007   0.000135922   0.000096645
 C     -1.276146     -0.394782      0.890217    0.00  -0.000294642   0.000125372   0.000102742
 C     -0.845410      0.836196      1.656876    0.00  -0.000936767   0.000270395   0.000235605
 H     -2.028922      1.154464     -2.142179    0.00   0.000024204  -0.000006610  -0.000007226
 H     -2.172576      2.581939     -0.073782    0.00   0.000020960   0.000030950  -0.000045450
 H     -0.773482      3.022194     -1.056052    0.00   0.000055159  -0.000023501  -0.000007669
 H      0.735462      1.618482      0.395710    0.00  -0.000024813  -0.000027885   0.000060077
 H     -0.103053      2.852179      1.345492    0.00  -0.000023467   0.000002115   0.000014785
 H     -3.047596      0.030739     -0.218036    0.00  -0.000017980   0.000037716   0.000002623
 H     -1.718646      1.219890      2.224242    0.00  -0.000103864   0.000032676  -0.000051595
 H     -0.101258      0.545860      2.429482    0.00  -0.000134199   0.000043626   0.000062298
 H     -0.401472      0.631727     -1.694490    0.00   0.000006357  -0.000029276   0.000023375
 O     -1.113583     -1.499986      1.377733    0.00   0.000458014   0.000195906  -0.000200513
 C     -1.924642     -1.516041     -1.251810    0.00  -0.000612102   0.000067471   0.000199852
 H     -2.344704     -2.349632     -0.670883    0.00  -0.000076995   0.000021024   0.000015842
 H     -2.482248     -1.442055     -2.189981    0.00  -0.000039267   0.000014272   0.000011017
 H     -0.888864     -1.794605     -1.491656    0.00  -0.000057730  -0.000021843   0.000030310
 H      0.776936     -1.961770      0.783285    0.00   0.000002223   0.000029895  -0.000006754
 O      0.923970     -1.435193     -0.079237    0.00   0.000902780  -0.000744238  -0.000389305
 O      2.033072     -0.639107      0.345484    0.00   0.000403838  -0.000135043  -0.000217882
 C      2.655460     -0.207165     -0.840898    0.00   0.000447115  -0.000129905  -0.000092663
 H      2.205835     -0.592428     -1.754979    0.00   0.000066596  -0.000036322  -0.000008118
 O      3.590865      0.532433     -0.674214    0.00   0.000239232   0.000241493  -0.000042443
26
 Energy =      -0.191130413299
 C     -0.264781      1.929683      0.754452    0.00  -0.000298431  -0.000028242   0.000275884
 C     -1.194718      2.210674     -0.430267    0.00   0.000206256   0.000016464  -0.000113316
 C     -1.377843      0.945100     -1.273042    0.00   0.000075382  -0.000079486   0.000048768
 C     -1.976136     -0.212861     -0.455088    0.00  -0.000305404   0.000139143   0.000098038
 C     -1.273743     -0.395852      0.889477    0.00  -0.000301863   0.000127154   0.000103286
 C     -0.837888      0.834018      1.655026    0.00  -0.000959374   0.000277236   0.000241545
 H     -2.031098      1.155004     -2.141440    0.00   0.000022811  -0.000005886  -0.000006955
 H     -2.174143      2.578794     -0.069589    0.00   0.000021220   0.000032305  -0.000045768
 H     -0.778886      3.024116     -1.055020    0.00   0.000056139  -0.000023539  -0.000008155
 H      0.737390      1.621317      0.390145    0.00  -0.000025188  -0.000029953   0.000060327
 H     -0.100880      2.851925      1.344064    0.00  -0.000022392   0.000001635   0.000014463
 H     -3.045717      0.027127     -0.218355    0.00  -0.000018790   0.000037968   0.000002890
 H     -1.707725      1.216368      2.228585    0.00  -0.000107028   0.000033947  -0.000053296
 H     -0.089161      0.541951      2.422623    0.00  -0.000137715   0.000044847   0.000064672
 H     -0.402179      0.634542     -1.696590    0.00   0.000005296  -0.000029225   0.000022578
 O     -1.116351     -1.501064      1.378917    0.00   0.000467598   0.000193387  -0.000208936
 C     -1.919743     -1.516592     -1.253395    0.00  -0.000619521   0.000070587   0.000200099
 H     -2.337291     -2.351479     -0.672455    0.00  -0.000078274   0.000021289   0.000015513
 H     -2.478490     -1.443454     -2.190956    0.00  -0.000039203   0.000014830   0.000010676
 H     -0.883572     -1.792480     -1.494523    0.00  -0.000058175  -0.000021933   0.000031100
 H      0.776632     -1.963929      0.782464    0.00   0.000003059   0.000030335  -0.000004503
 O      0.918562     -1.430772     -0.076836    0.00   0.000917374  -0.000750417  -0.000380587
 O      2.030557     -0.638256      0.346742    0.00   0.000434029  -0.000153400  -0.000214218
 C      2.651923     -0.206110     -0.840146    0.00   0.000450973  -0.000129149  -0.000094505
 H      2.199708     -0.588910     -1.753977    0.00   0.000065760  -0.000035681  -0.000008421
 O      3.589389      0.530955     -0.673945    0.00   0.000245462   0.000245784  -0.000051179
26
 Energy =      -0.191058606252
 C     -0.262458      1.929904      0.752302    0.00  -0.000299316  -0.000033982   0.000275962
 C     -1.196331      2.210540     -0.429358    0.00   0.000208004   0.000020886  -0.000116056
 C     -1.378390      0.945702     -1.273418    0.00   0.000064719  -0.000074772   0.000048044
 C     -1.973718     -0.213960     -0.455863    0.00  -0.000314032   0.000142517   0.000099499
 C     -1.271325     -0.396918      0.888746    0.00  -0.000309489   0.000129169   0.000103949
 C     -0.830320      0.831825      1.653163    0.00  -0.000982478   0.000284441   0.000247696
 H     -2.033106      1.155468     -2.140748    0.00   0.000021321  -0.000005125  -0.000006641
 H     -2.175709      2.575579     -0.065443    0.00   0.000021470   0.000033702  -0.000046046
 H     -0.784285      3.026005     -1.053962    0.00   0.000057106  -0.000023543  -0.000008653
 H      0.739314      1.624299      0.384660    0.00  -0.000025570  -0.000032119   0.000060520
 H     -0.098850      2.851715      1.342695    0.00  -0.000021219   0.000001141   0.000014078
 H     -3.043800      0.023557     -0.218691    0.00  -0.000019630   0.000038200   0.000003155
 H     -1.696673      1.212777      2.232988    0.00  -0.000110305   0.000035299  -0.000055026
 H     -0.076973      0.538006      2.415638    0.00  -0.000141300   0.000046108   0.000067160
 H     -0.402763      0.637299     -1.698581    0.00   0.000004153  -0.000029136   0.000021733
 O     -1.119125     -1.502107      1.380130    0.00   0.000476490   0.000190888  -0.000217062
 C     -1.914873     -1.517159     -1.254954    0.00  -0.000626592   0.000073901   0.000200392
 H     -2.329888     -2.353318     -0.673968    0.00  -0.000079579   0.000021573   0.000015150
 H     -2.474807     -1.444884     -2.191878    0.00  -0.000039031   0.000015417   0.000010296
 H     -0.878334     -1.790385     -1.497418    0.00  -0.000058571  -0.000022015   0.000031980
 H      0.776256     -1.966083      0.781473    0.00   0.000003891   0.000030768  -0.000002240
 O      0.913158     -1.426391     -0.074530    0.00   0.000933109  -0.000757710  -0.000372010
 O      2.027908     -0.637309      0.347960    0.00   0.000465050  -0.000172793  -0.000210909
 C      2.648416     -0.205077     -0.839393    0.00   0.000455500  -0.000128781  -0.000096364
 H      2.193752     -0.585519     -1.752987    0.00   0.000065059  -0.000035129  -0.000008691
 O      3.587904      0.529476     -0.673630    0.00   0.000251239   0.000251094  -0.000059917
26
 Energy =      -0.190985470781
 C     -0.260170      1.930165      0.750194    0.00  -0.000299991  -0.000039881   0.000275691
 C     -1.197928      2.210373     -0.428445    0.00   0.000209555   0.000025586  -0.000118749
 C     -1.378843      0.946256     -1.273782    0.00   0.000053359  -0.000069723   0.000047364
 C     -1.971278     -0.215067     -0.456636    0.00  -0.000322907   0.000146055   0.000101021
 C     -1.268890     -0.397981      0.888024    0.00  -0.000317558   0.000131435   0.000104757
 C     -0.822709      0.829615      1.651288    0.00  -0.001006066   0.000292010   0.000254056
 H     -2.034941      1.155855     -2.140106    0.00   0.000019736  -0.000004328  -0.000006285
 H     -2.177273      2.572296     -0.061348    0.00   0.000021707   0.000035140  -0.000046284
 H     -0.789674      3.027857     -1.052880    0.00   0.000058058  -0.000023511  -0.000009159
 H      0.741234      1.627428      0.379264    0.00  -0.000025960  -0.000034380   0.000060653
 H     -0.096968      2.851550      1.341390    0.00  -0.000019947   0.000000636   0.000013628
 H     -3.041846      0.020034     -0.219043    0.00  -0.000020501   0.000038410   0.000003417
 H     -1.685494      1.209114      2.237446    0.00  -0.000113699   0.000036739  -0.000056782
 H     -0.064703      0.534027      2.408529    0.00  -0.000144950   0.000047409   0.000069767
 H     -0.403222      0.639994     -1.700459    0.00   0.000002930  -0.000029009   0.000020843
 O     -1.121898     -1.503118      1.381365    0.00   0.000484541   0.000188440  -0.000224851
 C     -1.910039     -1.517742     -1.256488    0.00  -0.000633310   0.000077411   0.000200753
 H     -2.322499     -2.355151     -0.675421    0.00  -0.000080918   0.000021878   0.000014751
 H     -2.471210     -1.446343     -2.192743    0.00  -0.000038740   0.000016038   0.000009872
 H     -0.873158     -1.788322     -1.500345    0.00  -0.000058920  -0.000022094   0.000032964
 H      0.775811     -1.968230      0.780317    0.00   0.000004718   0.000031193   0.000000038
 O      0.907757     -1.422045     -0.072318    0.00   0.000950050  -0.000766186  -0.000363639
 O      2.025127     -0.636264      0.349140    0.00   0.000496979  -0.000193286  -0.000207984
 C      2.644934     -0.204065     -0.838640    0.00   0.000460764  -0.000128846  -0.000098266
 H      2.187953     -0.582242     -1.752011    0.00   0.000064509  -0.000034675  -0.000008929
 O      3.586415      0.527991     -0.673269    0.00   0.000256560   0.000257539  -0.000068648
26
 Energy =      -0.190910933164
 C     -0.257921      1.930465      0.748130    0.00  -0.000300467  -0.000045924   0.000275056
 C     -1.199506      2.210173     -0.427530    0.00   0.000210881   0.000030569  -0.000121377
 C     -1.379200      0.946761     -1.274134    0.00   0.000041307  -0.000064344   0.000046735
 C     -1.968815     -0.216179     -0.457405    0.00  -0.000332054   0.000149766   0.000102607
 C     -1.266438     -0.399041      0.887310    0.00  -0.000326131   0.000133968   0.000105713
 C     -0.815062      0.827390      1.649402    0.00  -0.001030121   0.000299943   0.000260633
 H     -2.036599      1.156166     -2.139515    0.00   0.000018061  -0.000003496  -0.000005888
 H     -2.178831      2.568946     -0.057312    0.00   0.000021928   0.000036615  -0.000046478
 H     -0.795045      3.029670     -1.051776    0.00   0.000058991  -0.000023440  -0.000009673
 H      0.743149      1.630705      0.373964    0.00  -0.000026357  -0.000036735   0.000060723
 H     -0.095239      2.851429      1.340154    0.00  -0.000018578   0.000000121   0.000013110
 H     -3.039855      0.016560     -0.219409    0.00  -0.000021405   0.000038600   0.000003671
 H     -1.674196      1.205379      2.241954    0.00  -0.000117210   0.000038266  -0.000058554
 H     -0.052361      0.530016      2.401298    0.00  -0.000148660   0.000048744   0.000072494
 H     -0.403551      0.642624     -1.702223    0.00   0.000001626  -0.000028846   0.000019915
 O     -1.124660     -1.504096      1.382620    0.00   0.000491592   0.000186084  -0.000232249
 C     -1.905247     -1.518342     -1.257997    0.00  -0.000639667   0.000081118   0.000201215
 H     -2.315127     -2.356976     -0.676811    0.00  -0.000082303   0.000022210   0.000014314
 H     -2.467710     -1.447833     -2.193549    0.00  -0.000038314   0.000016693   0.000009400
 H     -0.868052     -1.786292     -1.503311    0.00  -0.000059219  -0.000022176   0.000034068
 H      0.775301     -1.970367      0.778999    0.00   0.000005539   0.000031611   0.000002331
 O      0.902358     -1.417730     -0.070196    0.00   0.000968262  -0.000775911  -0.000355546
 O      2.022217     -0.635119      0.350284    0.00   0.000529897  -0.000214959  -0.000205479
 C      2.641475     -0.203070     -0.837886    0.00   0.000466865  -0.000129385  -0.000100237
 H      2.182299     -0.579069     -1.751049    0.00   0.000064123  -0.000034335  -0.000009146
 O      3.584925      0.526494     -0.672865    0.00   0.000261415   0.000265242  -0.000077355
26
 Energy =       -0.19083491587
 C     -0.255712      1.930804      0.746113    0.00  -0.000300757  -0.000052098   0.000274049
 C     -1.201062      2.209939     -0.426614    0.00   0.000211951   0.000035826  -0.000123926
 C     -1.379457      0.947216     -1.274475    0.00   0.000028571  -0.000058638   0.000046163
 C     -1.966332     -0.217299     -0.458171    0.00  -0.000341495   0.000153666   0.000104252
 C     -1.263969     -0.400100      0.886602    0.00  -0.000335273   0.000136803   0.000106842
 C     -0.807385      0.825149      1.647505    0.00  -0.001054630   0.000308234   0.000267432
 H     -2.038077      1.156398     -2.138977    0.00   0.000016299  -0.000002632  -0.000005452
 H     -2.180384      2.565534     -0.053338    0.00   0.000022129   0.000038123  -0.000046626
 H     -0.800391      3.031439     -1.050651    0.00   0.000059895  -0.000023328  -0.000010192
 H      0.745058      1.634129      0.368768    0.00  -0.000026762  -0.000039182   0.000060727
 H     -0.093669      2.851350      1.338991    0.00  -0.000017110  -0.000000400   0.000012524
 H     -3.037828      0.013140     -0.219787    0.00  -0.000022344   0.000038772   0.000003914
 H     -1.662785      1.201572      2.246509    0.00  -0.000120837   0.000039884  -0.000060332
 H     -0.039955      0.525975      2.393947    0.00  -0.000152418   0.000050109   0.000075343
 H     -0.403750      0.645184     -1.703872    0.00   0.000000244  -0.000028646   0.000018949
 O     -1.127404     -1.505042      1.383891    0.00   0.000497454   0.000183858  -0.000239208
 C     -1.900502     -1.518959     -1.259480    0.00  -0.000645652   0.000085015   0.000201810
 H     -2.307774     -2.358795     -0.678136    0.00  -0.000083748   0.000022569   0.000013837
 H     -2.464320     -1.449355     -2.194291    0.00  -0.000037742   0.000017387   0.000008875
 H     -0.863024     -1.784293     -1.506321    0.00  -0.000059468  -0.000022271   0.000035310
 H      0.774730     -1.972491      0.777524    0.00   0.000006353   0.000032025   0.000004643
 O      0.896958     -1.413444     -0.068161    0.00   0.000987821  -0.000786956  -0.000347813
 O      2.019179     -0.633872      0.351394    0.00   0.000563897  -0.000237890  -0.000203445
 C      2.638035     -0.202088     -0.837132    0.00   0.000473892  -0.000130445  -0.000102310
 H      2.176775     -0.575987     -1.750101    0.00   0.000063918  -0.000034121  -0.000009345
 O      3.583439      0.524980     -0.672421    0.00   0.000265811   0.000274338  -0.000086021
26
 Energy =      -0.190757337169
 C     -0.253545      1.931180      0.744148    0.00  -0.000300870  -0.000058383   0.000272672
 C     -1.202594      2.209671     -0.425700    0.00   0.000212727   0.000041357  -0.000126372
 C     -1.379616      0.947620     -1.274805    0.00   0.000015171  -0.000052617   0.000045656
 C     -1.963830     -0.218425     -0.458933    0.00  -0.000351265   0.000157766   0.000105952
 C     -1.261481     -0.401159      0.885901    0.00  -0.000345057   0.000139955   0.000108157
 C     -0.799683      0.822893      1.645599    0.00  -0.001079573   0.000316873   0.000274452
 H     -2.039373      1.156554     -2.138495    0.00   0.000014458  -0.000001737  -0.000004980
 H     -2.181927      2.562063     -0.049433    0.00   0.000022309   0.000039658  -0.000046727
 H     -0.805704      3.033162     -1.049508    0.00   0.000060768  -0.000023174  -0.000010712
 H      0.746960      1.637698      0.363683    0.00  -0.000027175  -0.000041718   0.000060663
 H     -0.092261      2.851312      1.337905    0.00  -0.000015549  -0.000000925   0.000011868
 H     -3.035766      0.009776     -0.220176    0.00  -0.000023320   0.000038927   0.000004140
 H     -1.651270      1.197691      2.251103    0.00  -0.000124578   0.000041593  -0.000062108
 H     -0.027497      0.521906      2.386481    0.00  -0.000156217   0.000051497   0.000078314
 H     -0.403815      0.647673     -1.705407    0.00  -0.000001215  -0.000028410   0.000017956
 O     -1.130120     -1.505959      1.385172    0.00   0.000501912   0.000181818  -0.000245658
 C     -1.895811     -1.519593     -1.260940    0.00  -0.000651260   0.000089092   0.000202581
 H     -2.300441     -2.360608     -0.679395    0.00  -0.000085265   0.000022962   0.000013320
 H     -2.461050     -1.450908     -2.194966    0.00  -0.000037004   0.000018120   0.000008293
 H     -0.858081     -1.782327     -1.509384    0.00  -0.000059663  -0.000022383   0.000036711
 H      0.774101     -1.974600      0.775898    0.00   0.000007159   0.000032432   0.000006971
 O      0.891557     -1.409180     -0.066211    0.00   0.001008805  -0.000799390  -0.000340526
 O      2.016016     -0.632521      0.352474    0.00   0.000599085  -0.000262167  -0.000201934
 C      2.634611     -0.201116     -0.836377    0.00   0.000481960  -0.000132075  -0.000104520
 H      2.171368     -0.572985     -1.749167    0.00   0.000063910  -0.000034049  -0.000009534
 O      3.581959      0.523443     -0.671939    0.00   0.000269749   0.000284978  -0.000094635
26
 Energy =      -0.190678110612
 C     -0.251423      1.931592      0.742235    0.00  -0.000300831  -0.000064754   0.000270927
 C     -1.204098      2.209368     -0.424788    0.00   0.000213176   0.000047152  -0.000128701
 C     -1.379673      0.947972     -1.275124    0.00   0.000001119  -0.000046289   0.000045221
 C     -1.961309     -0.219557     -0.459691    0.00  -0.000361390   0.000162083   0.000107704
 C     -1.258974     -0.402217      0.885203    0.00  -0.000355578   0.000143461   0.000109677
 C     -0.791963      0.820622      1.643684    0.00  -0.001104921   0.000325845   0.000281701
 H     -2.040486      1.156632     -2.138068    0.00   0.000012541  -0.000000815  -0.000004474
 H     -2.183458      2.558537     -0.045603    0.00   0.000022462   0.000041218  -0.000046776
 H     -0.810978      3.034835     -1.048350    0.00   0.000061603  -0.000022977  -0.000011232
 H      0.748854      1.641409      0.358716    0.00  -0.000027596  -0.000044338   0.000060530
 H     -0.091019      2.851312      1.336899    0.00  -0.000013896  -0.000001450   0.000011142
 H     -3.033668      0.006471     -0.220572    0.00  -0.000024336   0.000039066   0.000004344
 H     -1.639660      1.193737      2.255730    0.00  -0.000128432   0.000043395  -0.000063867
 H     -0.014999      0.517814      2.378903    0.00  -0.000160045   0.000052900   0.000081406
 H     -0.403748      0.650088     -1.706828    0.00  -0.000002745  -0.000028141   0.000016940
 O     -1.132799     -1.506848      1.386460    0.00   0.000504720   0.000180025  -0.000251540
 C     -1.891180     -1.520244     -1.262375    0.00  -0.000656478   0.000093331   0.000203580
 H     -2.293128     -2.362416     -0.680585    0.00  -0.000086873   0.000023393   0.000012762
 H     -2.457915     -1.452494     -2.195569    0.00  -0.000036083   0.000018893   0.000007647
 H     -0.853231     -1.780390     -1.512508    0.00  -0.000059803  -0.000022524   0.000038296
 H      0.773418     -1.976691      0.774124    0.00   0.000007957   0.000032837   0.000009319
 O      0.886152     -1.404937     -0.064340    0.00   0.001031304  -0.000813285  -0.000333785
 O      2.012729     -0.631066      0.353527    0.00   0.000635573  -0.000287888  -0.000201009
 C      2.631197     -0.200151     -0.835622    0.00   0.000491186  -0.000134322  -0.000106904
 H      2.166061     -0.570047     -1.748245    0.00   0.000064122  -0.000034135  -0.000009722
 O      3.580491      0.521877     -0.671421    0.00   0.000273245   0.000297317  -0.000103188
26
 Energy =      -0.190597144452
 C     -0.249346      1.932040      0.740379    0.00  -0.000300664  -0.000071196   0.000268818
 C     -1.205572      2.209030     -0.423881    0.00   0.000213267   0.000053205  -0.000130885
 C     -1.379630      0.948273     -1.275434    0.00  -0.000013556  -0.000039670   0.000044867
 C     -1.958770     -0.220696     -0.460444    0.00  -0.000371920   0.000166632   0.000109501
 C     -1.256445     -0.403277      0.884510    0.00  -0.000366929   0.000147352   0.000111432
 C     -0.784231      0.818337      1.641760    0.00  -0.001130653   0.000335137   0.000289181
 H     -2.041418      1.156633     -2.137697    0.00   0.000010560   0.000000136  -0.000003937
 H     -2.184974      2.554961     -0.041851    0.00   0.000022584   0.000042797  -0.000046773
 H     -0.816204      3.036457     -1.047179    0.00   0.000062394  -0.000022734  -0.000011746
 H      0.750739      1.645260      0.353873    0.00  -0.000028025  -0.000047038   0.000060327
 H     -0.089943      2.851349      1.335977    0.00  -0.000012158  -0.000001971   0.000010350
 H     -3.031536      0.003228     -0.220974    0.00  -0.000025396   0.000039193   0.000004516
 H     -1.627964      1.189712      2.260384    0.00  -0.000132393   0.000045290  -0.000065594
 H     -0.002473      0.513703      2.371219    0.00  -0.000163890   0.000054308   0.000084615
 H     -0.403548      0.652426     -1.708136    0.00  -0.000004343  -0.000027841   0.000015910
 O     -1.135430     -1.507710      1.387749    0.00   0.000505605   0.000178545  -0.000256784
 C     -1.886613     -1.520911     -1.263789    0.00  -0.000661296   0.000097716   0.000204870
 H     -2.285834     -2.364219     -0.681705    0.00  -0.000088588   0.000023866   0.000012162
 H     -2.454928     -1.454113     -2.196098    0.00  -0.000034957   0.000019710   0.000006932
 H     -0.848481     -1.778482     -1.515703    0.00  -0.000059886  -0.000022706   0.000040089
 H      0.772685     -1.978762      0.772209    0.00   0.000008745   0.000033239   0.000011689
 O      0.880741     -1.400709     -0.062544    0.00   0.001055409  -0.000828713  -0.000327698
 O      2.009321     -0.629503      0.354554    0.00   0.000673493  -0.000315155  -0.000200759
 C      2.627789     -0.199188     -0.834866    0.00   0.000501704  -0.000137244  -0.000109505
 H      2.160839     -0.567161     -1.747335    0.00   0.000064571  -0.000034392  -0.000009915
 O      3.579036      0.520275     -0.670870    0.00   0.000276320   0.000311534  -0.000111662
26
 Energy =      -0.190514340818
 C     -0.247315      1.932520      0.738580    0.00  -0.000300398  -0.000077676   0.000266365
 C     -1.207014      2.208658     -0.422980    0.00   0.000212965   0.000059506  -0.000132908
 C     -1.379486      0.948522     -1.275736    0.00  -0.000028830  -0.000032771   0.000044604
 C     -1.956216     -0.221841     -0.461193    0.00  -0.000382899   0.000171429   0.000111335
 C     -1.253893     -0.404340      0.883818    0.00  -0.000379240   0.000151664   0.000113441
 C     -0.776494      0.816041      1.639830    0.00  -0.001156740   0.000344717   0.000296897
 H     -2.042168      1.156559     -2.137382    0.00   0.000008520   0.000001109  -0.000003375
 H     -2.186473      2.551339     -0.038184    0.00   0.000022674   0.000044388  -0.000046717
 H     -0.821373      3.038025     -1.045999    0.00   0.000063135  -0.000022444  -0.000012252
 H      0.752614      1.649245      0.349160    0.00  -0.000028460  -0.000049810   0.000060056
 H     -0.089034      2.851420      1.335141    0.00  -0.000010340  -0.000002484   0.000009491
 H     -3.029369      0.000048     -0.221377    0.00  -0.000026507   0.000039310   0.000004652
 H     -1.616196      1.185615      2.265054    0.00  -0.000136456   0.000047279  -0.000067272
 H      0.010068      0.509578      2.363437    0.00  -0.000167736   0.000055711   0.000087937
 H     -0.403216      0.654686     -1.709333    0.00  -0.000006003  -0.000027513   0.000014873
 O     -1.138000     -1.508549      1.389035    0.00   0.000504269   0.000177463  -0.000261317
 C     -1.882116     -1.521595     -1.265181    0.00  -0.000665691   0.000102220   0.000206523
 H     -2.278557     -2.366018     -0.682755    0.00  -0.000090430   0.000024386   0.000011523
 H     -2.452102     -1.455766     -2.196547    0.00  -0.000033605   0.000020568   0.000006142
 H     -0.843838     -1.776600     -1.518980    0.00  -0.000059906  -0.000022939   0.000042124
 H      0.771905     -1.980811      0.770157    0.00   0.000009526   0.000033639   0.000014081
 O      0.875323     -1.396494     -0.060819    0.00   0.001081223  -0.000845755  -0.000322384
 O      2.005792     -0.627832      0.355561    0.00   0.000712982  -0.000344081  -0.000201263
 C      2.624382     -0.198223     -0.834108    0.00   0.000513649  -0.000140884  -0.000112376
 H      2.155684     -0.564313     -1.746434    0.00   0.000065282  -0.000034839  -0.000010123
 O      3.577597      0.518631     -0.670288    0.00   0.000279014   0.000327809  -0.000120055
26
 Energy =      -0.190429594795
 C     -0.245333      1.933032      0.736841    0.00  -0.000300072  -0.000084174   0.000263588
 C     -1.208418      2.208251     -0.422087    0.00   0.000212235   0.000066038  -0.000134741
 C     -1.379243      0.948718     -1.276028    0.00  -0.000044671  -0.000025613   0.000044439
 C     -1.953645     -0.222993     -0.461937    0.00  -0.000394388   0.000176498   0.000113203
 C     -1.251315     -0.405406      0.883127    0.00  -0.000392644   0.000156445   0.000115740
 C     -0.768761      0.813733      1.637893    0.00  -0.001183150   0.000354560   0.000304854
 H     -2.042741      1.156412     -2.137122    0.00   0.000006434   0.000002108  -0.000002793
 H     -2.187951      2.547679     -0.034606    0.00   0.000022727   0.000045990  -0.000046607
 H     -0.826478      3.039535     -1.044811    0.00   0.000063824  -0.000022109  -0.000012747
 H      0.754478      1.653359      0.344582    0.00  -0.000028902  -0.000052649   0.000059716
 H     -0.088294      2.851522      1.334393    0.00  -0.000008449  -0.000002984   0.000008571
 H     -3.027167     -0.003067     -0.221777    0.00  -0.000027671   0.000039420   0.000004738
 H     -1.604367      1.181450      2.269733    0.00  -0.000140612   0.000049359  -0.000068883
 H      0.022610      0.505445      2.355563    0.00  -0.000171569   0.000057093   0.000091365
 H     -0.402754      0.656866     -1.710424    0.00  -0.000007720  -0.000027159   0.000013840
 O     -1.140499     -1.509366      1.390313    0.00   0.000500369   0.000176865  -0.000265076
 C     -1.877694     -1.522293     -1.266555    0.00  -0.000669647   0.000106811   0.000208629
 H     -2.271295     -2.367814     -0.683733    0.00  -0.000092416   0.000024957   0.000010849
 H     -2.449451     -1.457451     -2.196913    0.00  -0.000032000   0.000021467   0.000005271
 H     -0.839311     -1.774739     -1.522351    0.00  -0.000059858  -0.000023240   0.000044429
 H      0.771083     -1.982836      0.767975    0.00   0.000010294   0.000034038   0.000016496
 O      0.869896     -1.392287     -0.059159    0.00   0.001108858  -0.000864489  -0.000317970
 O      2.002145     -0.626051      0.356549    0.00   0.000754199  -0.000374782  -0.000202633
 C      2.620970     -0.197253     -0.833347    0.00   0.000527190  -0.000145299  -0.000115580
 H      2.150579     -0.561487     -1.745541    0.00   0.000066277  -0.000035492  -0.000010355
 O      3.576178      0.516937     -0.669679    0.00   0.000281361   0.000346343  -0.000128345
26
 Energy =      -0.190342793224
 C     -0.243398      1.933574      0.735163    0.00  -0.000299729  -0.000090661   0.000260525
 C     -1.209784      2.207811     -0.421206    0.00   0.000211057   0.000072794  -0.000136365
 C     -1.378901      0.948864     -1.276314    0.00  -0.000061044  -0.000018216   0.000044385
 C     -1.951059     -0.224151     -0.462676    0.00  -0.000406458   0.000181864   0.000115093
 C     -1.248707     -0.406478      0.882436    0.00  -0.000407300   0.000161740   0.000118357
 C     -0.761038      0.811417      1.635951    0.00  -0.001209858   0.000364626   0.000313055
 H     -2.043139      1.156192     -2.136916    0.00   0.000004309   0.000003126  -0.000002194
 H     -2.189405      2.543985     -0.031121    0.00   0.000022739   0.000047594  -0.000046443
 H     -0.831511      3.040987     -1.043621    0.00   0.000064455  -0.000021728  -0.000013224
 H      0.756330      1.657596      0.340144    0.00  -0.000029350  -0.000055547   0.000059310
 H     -0.087719      2.851652      1.333734    0.00  -0.000006495  -0.000003468   0.000007593
 H     -3.024930     -0.006116     -0.222171    0.00  -0.000028896   0.000039526   0.000004766
 H     -1.592492      1.177219      2.274410    0.00  -0.000144853   0.000051532  -0.000070405
 H      0.035136      0.501311      2.347608    0.00  -0.000175372   0.000058444   0.000094890
 H     -0.402165      0.658966     -1.711412    0.00  -0.000009488  -0.000026786   0.000012819
 O     -1.142912     -1.510164      1.391578    0.00   0.000493542   0.000176856  -0.000267984
 C     -1.873353     -1.523006     -1.267912    0.00  -0.000673134   0.000111443   0.000211295
 H     -2.264043     -2.369609     -0.684642    0.00  -0.000094567   0.000025582   0.000010145
 H     -2.446991     -1.459168     -2.197191    0.00  -0.000030116   0.000022403   0.000004314
 H     -0.834906     -1.772895     -1.525828    0.00  -0.000059736  -0.000023617   0.000047043
 H      0.770222     -1.984835      0.765668    0.00   0.000011054   0.000034439   0.000018938
 O      0.864459     -1.388086     -0.057558    0.00   0.001138436  -0.000885007  -0.000314594
 O      1.998381     -0.624158      0.357524    0.00   0.000797300  -0.000407381  -0.000204997
 C      2.617547     -0.196273     -0.832581    0.00   0.000542492  -0.000150541  -0.000119177
 H      2.145507     -0.558671     -1.744652    0.00   0.000067585  -0.000036366  -0.000010620
 O      3.574781      0.515187     -0.669043    0.00   0.000283427   0.000367348  -0.000136527
26
 Energy =      -0.190253813294
 C     -0.241512      1.934143      0.733547    0.00  -0.000299416  -0.000097111   0.000257218
 C     -1.211107      2.207338     -0.420336    0.00   0.000209404   0.000079752  -0.000137752
 C     -1.378463      0.948959     -1.276592    0.00  -0.000077914  -0.000010595   0.000044454
 C     -1.948459     -0.225316     -0.463408    0.00  -0.000419198   0.000187553   0.000116993
 C     -1.246068     -0.407556      0.881742    0.00  -0.000423392   0.000167606   0.000121335
 C     -0.753334      0.809095      1.634005    0.00  -0.001236833   0.000374876   0.000321509
 H     -2.043369      1.155902     -2.136762    0.00   0.000002161   0.000004165  -0.000001587
 H     -2.190831      2.540265     -0.027734    0.00   0.000022710   0.000049199  -0.000046227
 H     -0.836463      3.042377     -1.042431    0.00   0.000065026  -0.000021304  -0.000013683
 H      0.758169      1.661948      0.335851    0.00  -0.000029804  -0.000058493   0.000058843
 H     -0.087307      2.851808      1.333165    0.00  -0.000004489  -0.000003929   0.000006566
 H     -3.022659     -0.009097     -0.222553    0.00  -0.000030193   0.000039632   0.000004722
 H     -1.580586      1.172926      2.279073    0.00  -0.000149166   0.000053790  -0.000071815
 H      0.047630      0.497184      2.339582    0.00  -0.000179127   0.000059742   0.000098501
 H     -0.401453      0.660985     -1.712301    0.00  -0.000011299  -0.000026399   0.000011824
 O     -1.145226     -1.510947      1.392824    0.00   0.000483387   0.000177555  -0.000269986
 C     -1.869098     -1.523731     -1.269255    0.00  -0.000676112   0.000116071   0.000214650
 H     -2.256797     -2.371403     -0.685481    0.00  -0.000096904   0.000026266   0.000009420
 H     -2.444738     -1.460917     -2.197376    0.00  -0.000027925   0.000023372   0.000003265
 H     -0.830632     -1.771064     -1.529426    0.00  -0.000059532  -0.000024089   0.000050007
 H      0.769325     -1.986805      0.763243    0.00   0.000011805   0.000034841   0.000021408
 O      0.859010     -1.383887     -0.056011    0.00   0.001170089  -0.000907404  -0.000312410
 O      1.994501     -0.622153      0.358489    0.00   0.000842468  -0.000442010  -0.000208490
 C      2.614108     -0.195281     -0.831810    0.00   0.000559736  -0.000156652  -0.000123245
 H      2.140449     -0.555849     -1.743765    0.00   0.000069231  -0.000037479  -0.000010931
 O      3.573407      0.513373     -0.668385    0.00   0.000285289   0.000391045  -0.000144590
26
 Energy =      -0.190162520874
 C     -0.239675      1.934737      0.731994    0.00  -0.000299189  -0.000103503   0.000253722
 C     -1.212386      2.206833     -0.419482    0.00   0.000207263   0.000086897  -0.000138885
 C     -1.377930      0.949004     -1.276864    0.00  -0.000095241  -0.000002776   0.000044654
 C     -1.945844     -0.226487     -0.464133    0.00  -0.000432704   0.000193601   0.000118904
 C     -1.243392     -0.408642      0.881045    0.00  -0.000441138   0.000174114   0.000124709
 C     -0.745659      0.806769      1.632056    0.00  -0.001264058   0.000385259   0.000330221
 H     -2.043436      1.155545     -2.136658    0.00  -0.000000002   0.000005222  -0.000000977
 H     -2.192226      2.536526     -0.024449    0.00   0.000022637   0.000050801  -0.000045958
 H     -0.841327      3.043705     -1.041245    0.00   0.000065538  -0.000020838  -0.000014115
 H      0.759994      1.666406      0.331705    0.00  -0.000030263  -0.000061480   0.000058320
 H     -0.087055      2.851987      1.332685    0.00  -0.000002444  -0.000004365   0.000005498
 H     -3.020351     -0.012009     -0.222917    0.00  -0.000031570   0.000039742   0.000004591
 H     -1.568669      1.168576      2.283709    0.00  -0.000153535   0.000056134  -0.000073087
 H      0.060074      0.493072      2.331499    0.00  -0.000182815   0.000060968   0.000102183
 H     -0.400622      0.662924     -1.713098    0.00  -0.000013145  -0.000026005   0.000010864
 O     -1.147426     -1.511717      1.394046    0.00   0.000469472   0.000179082  -0.000271028
 C     -1.864934     -1.524467     -1.270589    0.00  -0.000678537   0.000120632   0.000218849
 H     -2.249554     -2.373196     -0.686252    0.00  -0.000099445   0.000027011   0.000008686
 H     -2.442706     -1.462696     -2.197465    0.00  -0.000025395   0.000024367   0.000002119
 H     -0.826498     -1.769239     -1.533161    0.00  -0.000059233  -0.000024670   0.000053364
 H      0.768397     -1.988747      0.760706    0.00   0.000012546   0.000035247   0.000023910
 O      0.853547     -1.379687     -0.054512    0.00   0.001203964  -0.000931793  -0.000311573
 O      1.990507     -0.620034      0.359449    0.00   0.000889886  -0.000478791  -0.000213283
 C      2.610645     -0.194273     -0.831031    0.00   0.000579112  -0.000163681  -0.000127875
 H      2.135388     -0.553008     -1.742876    0.00   0.000071242  -0.000038844  -0.000011298
 O      3.572057      0.511488     -0.667707    0.00   0.000287052   0.000417668  -0.000152515
26
 Energy =      -0.190068768529
 C     -0.237886      1.935353      0.730504    0.00  -0.000299111  -0.000109811   0.000250107
 C     -1.213616      2.206298     -0.418645    0.00   0.000204630   0.000094209  -0.000139736
 C     -1.377307      0.949001     -1.277131    0.00  -0.000112986   0.000005215   0.000045006
 C     -1.943214     -0.227665     -0.464851    0.00  -0.000447102   0.000200050   0.000120795
 C     -1.240675     -0.409738      0.880343    0.00  -0.000460775   0.000181335   0.000128535
 C     -0.738020      0.804442      1.630106    0.00  -0.001291510   0.000395719   0.000339208
 H     -2.043347      1.155122     -2.136601    0.00  -0.000002162   0.000006299  -0.000000374
 H     -2.193587      2.532775     -0.021268    0.00   0.000022519   0.000052397  -0.000045642
 H     -0.846095      3.044969     -1.040067    0.00   0.000065991  -0.000020332  -0.000014520
 H      0.761804      1.670960      0.327709    0.00  -0.000030725  -0.000064499   0.000057750
 H     -0.086956      2.852185      1.332293    0.00  -0.000000372  -0.000004770   0.000004398
 H     -3.018006     -0.014852     -0.223257    0.00  -0.000033042   0.000039862   0.000004358
 H     -1.556759      1.164174      2.288305    0.00  -0.000157943   0.000058557  -0.000074192
 H      0.072450      0.488987      2.323374    0.00  -0.000186418   0.000062101   0.000105916
 H     -0.399677      0.664783     -1.713808    0.00  -0.000015019  -0.000025610   0.000009954
 O     -1.149496     -1.512480      1.395241    0.00   0.000451333   0.000181582  -0.000271074
 C     -1.860866     -1.525212     -1.271916    0.00  -0.000680343   0.000125053   0.000224070
 H     -2.242308     -2.374989     -0.686960    0.00  -0.000102208   0.000027820   0.000007963
 H     -2.440911     -1.464502     -2.197453    0.00  -0.000022493   0.000025373   0.000000874
 H     -0.822511     -1.767414     -1.537048    0.00  -0.000058827  -0.000025376   0.000057161
 H      0.767441     -1.990657      0.758064    0.00   0.000013281   0.000035661   0.000026448
 O      0.848070     -1.375484     -0.053053    0.00   0.001240218  -0.000958300  -0.000312257
 O      1.986400     -0.617799      0.360409    0.00   0.000939752  -0.000517860  -0.000219557
 C      2.607152     -0.193244     -0.830243    0.00   0.000600825  -0.000171647  -0.000133161
 H      2.130304     -0.550133     -1.741982    0.00   0.000073648  -0.000040476  -0.000011736
 O      3.570733      0.509525     -0.667012    0.00   0.000288840   0.000447449  -0.000160293
26
 Energy =      -0.189972393261
 C     -0.236145      1.935989      0.729076    0.00  -0.000299244  -0.000116026   0.000246455
 C     -1.214797      2.205735     -0.417826    0.00   0.000201511   0.000101668  -0.000140286
 C     -1.376596      0.948951     -1.277393    0.00  -0.000131105   0.000013360   0.000045522
 C     -1.940569     -0.228850     -0.465560    0.00  -0.000462535   0.000206942   0.000122665
 C     -1.237913     -0.410846      0.879634    0.00  -0.000482584   0.000189359   0.000132860
 C     -0.730428      0.802119      1.628157    0.00  -0.001319174   0.000406190   0.000348479
 H     -2.043113      1.154637     -2.136589    0.00  -0.000004308   0.000007394   0.000000217
 H     -2.194910      2.529018     -0.018195    0.00   0.000022356   0.000053986  -0.000045282
 H     -0.850759      3.046169     -1.038900    0.00   0.000066388  -0.000019793  -0.000014892
 H      0.763598      1.675599      0.323864    0.00  -0.000031191  -0.000067537   0.000057143
 H     -0.087005      2.852399      1.331987    0.00   0.000001711  -0.000005142   0.000003278
 H     -3.015622     -0.017626     -0.223566    0.00  -0.000034621   0.000039994   0.000004000
 H     -1.544877      1.159727      2.292847    0.00  -0.000162372   0.000061054  -0.000075102
 H      0.084737      0.484939      2.315222    0.00  -0.000189917   0.000063116   0.000109679
 H     -0.398626      0.666564     -1.714439    0.00  -0.000016914  -0.000025226   0.000009106
 O     -1.151419     -1.513237      1.396402    0.00   0.000428473   0.000185211  -0.000270104
 C     -1.856900     -1.525962     -1.273242    0.00  -0.000681455   0.000129253   0.000230529
 H     -2.235055     -2.376783     -0.687608    0.00  -0.000105209   0.000028693   0.000007272
 H     -2.439371     -1.466330     -2.197337    0.00  -0.000019189   0.000026375  -0.000000473
 H     -0.818682     -1.765582     -1.541105    0.00  -0.000058297  -0.000026220   0.000061451
 H      0.766460     -1.992536      0.755324    0.00   0.000014010   0.000036081   0.000029029
 O      0.842579     -1.371275     -0.051628    0.00   0.001279025  -0.000987073  -0.000314637
 O      1.982182     -0.615450      0.361374    0.00   0.000992266  -0.000559334  -0.000227533
 C      2.603623     -0.192193     -0.829442    0.00   0.000625085  -0.000180582  -0.000139219
 H      2.125179     -0.547213     -1.741077    0.00   0.000076478  -0.000042383  -0.000012259
 O      3.569435      0.507476     -0.666303    0.00   0.000290811   0.000480639  -0.000167899
26
 Energy =      -0.189873213989
 C     -0.234451      1.936642      0.727709    0.00  -0.000299655  -0.000122130   0.000242865
 C     -1.215925      2.205144     -0.417029    0.00   0.000197919   0.000109253  -0.000140505
 C     -1.375802      0.948856     -1.277651    0.00  -0.000149556   0.000021627   0.000046216
 C     -1.937908     -0.230042     -0.466260    0.00  -0.000479173   0.000214337   0.000124498
 C     -1.235099     -0.411968      0.878917    0.00  -0.000506876   0.000198285   0.000137737
 C     -0.722892      0.799803      1.626208    0.00  -0.001347050   0.000416603   0.000358055
 H     -2.042742      1.154092     -2.136616    0.00  -0.000006419   0.000008510   0.000000786
 H     -2.196192      2.525265     -0.015231    0.00   0.000022149   0.000055569  -0.000044883
 H     -0.855314      3.047303     -1.037749    0.00   0.000066739  -0.000019223  -0.000015228
 H      0.765374      1.680311      0.320170    0.00  -0.000031659  -0.000070588   0.000056509
 H     -0.087193      2.852625      1.331763    0.00   0.000003791  -0.000005479   0.000002152
 H     -3.013199     -0.020330     -0.223837    0.00  -0.000036328   0.000040146   0.000003497
 H     -1.533049      1.155241      2.297318    0.00  -0.000166793   0.000063619  -0.000075785
 H      0.096915      0.480942      2.307063    0.00  -0.000193294   0.000063984   0.000113447
 H     -0.397474      0.668269     -1.715000    0.00  -0.000018819  -0.000024863   0.000008338
 O     -1.153181     -1.513995      1.397525    0.00   0.000400364   0.000190134  -0.000268120
 C     -1.853042     -1.526715     -1.274572    0.00  -0.000681782   0.000133129   0.000238475
 H     -2.227793     -2.378578     -0.688202    0.00  -0.000108456   0.000029631   0.000006646
 H     -2.438100     -1.468176     -2.197115    0.00  -0.000015448   0.000027352  -0.000001922
 H     -0.815019     -1.763738     -1.545349    0.00  -0.000057622  -0.000027217   0.000066286
 H      0.765458     -1.994381      0.752492    0.00   0.000014739   0.000036515   0.000031660
 O      0.837072     -1.367059     -0.050230    0.00   0.001320576  -0.001018288  -0.000318900
 O      1.977856     -0.612985      0.362349    0.00   0.001047630  -0.000603327  -0.000237454
 C      2.600052     -0.191117     -0.828627    0.00   0.000652101  -0.000190483  -0.000146173
 H      2.119998     -0.544235     -1.740157    0.00   0.000079759  -0.000044573  -0.000012885
 O      3.568162      0.505335     -0.665582    0.00   0.000293165   0.000517475  -0.000175311
26
 Energy =      -0.189771028732
 C     -0.232803      1.937309      0.726402    0.00  -0.000300414  -0.000128127   0.000239441
 C     -1.216999      2.204529     -0.416256    0.00   0.000193890   0.000116939  -0.000140373
 C     -1.374930      0.948719     -1.277905    0.00  -0.000168297   0.000029988   0.000047113
 C     -1.935231     -0.231240     -0.466950    0.00  -0.000497219   0.000222298   0.000126273
 C     -1.232228     -0.413105      0.878190    0.00  -0.000534019   0.000208235   0.000143237
 C     -0.715424      0.797499      1.624263    0.00  -0.001375139   0.000426875   0.000367960
 H     -2.042247      1.153490     -2.136679    0.00  -0.000008481   0.000009647   0.000001323
 H     -2.197430      2.521522     -0.012379    0.00   0.000021900   0.000057146  -0.000044452
 H     -0.859754      3.048373     -1.036618    0.00   0.000067050  -0.000018629  -0.000015523
 H      0.767132      1.685082      0.316627    0.00  -0.000032128  -0.000073641   0.000055864
 H     -0.087512      2.852862      1.331618    0.00   0.000005849  -0.000005778   0.000001036
 H     -3.010733     -0.022965     -0.224060    0.00  -0.000038179   0.000040323   0.000002823
 H     -1.521299      1.150727      2.301701    0.00  -0.000171181   0.000066243  -0.000076209
 H      0.108962      0.477008      2.298919    0.00  -0.000196531   0.000064677   0.000117185
 H     -0.396230      0.669901     -1.715497    0.00  -0.000020727  -0.000024532   0.000007666
 O     -1.154763     -1.514757      1.398606    0.00   0.000366460   0.000196532  -0.000265156
 C     -1.849298     -1.527468     -1.275912    0.00  -0.000681205   0.000136578   0.000248198
 H     -2.220519     -2.380373     -0.688752    0.00  -0.000111956   0.000030628   0.000006121
 H     -2.437114     -1.470032     -2.196784    0.00  -0.000011237   0.000028275  -0.000003471
 H     -0.811534     -1.761875     -1.549797    0.00  -0.000056777  -0.000028377   0.000071723
 H      0.764437     -1.996192      0.749576    0.00   0.000015471   0.000036965   0.000034353
 O      0.831550     -1.362834     -0.048853    0.00   0.001365080  -0.001052148  -0.000325236
 O      1.973423     -0.610407      0.363342    0.00   0.001106046  -0.000649942  -0.000249591
 C      2.596432     -0.190014     -0.827795    0.00   0.000682090  -0.000201327  -0.000154173
 H      2.114742     -0.541190     -1.739216    0.00   0.000083519  -0.000047047  -0.000013632
 O      3.566913      0.503096     -0.664852    0.00   0.000296137   0.000558198  -0.000182499
26
 Energy =      -0.189665611629
 C     -0.231199      1.937988      0.725152    0.00  -0.000301583  -0.000134025   0.000236311
 C     -1.218018      2.203891     -0.415508    0.00   0.000189464   0.000124695  -0.000139867
 C     -1.373983      0.948541     -1.278158    0.00  -0.000187279   0.000038419   0.000048239
 C     -1.932535     -0.232446     -0.467628    0.00  -0.000516905   0.000230902   0.000127975
 C     -1.229293     -0.414261      0.877451    0.00  -0.000564411   0.000219335   0.000149422
 C     -0.708035      0.795212      1.622324    0.00  -0.001403456   0.000436930   0.000378217
 H     -2.041638      1.152835     -2.136773    0.00  -0.000010470   0.000010808   0.000001819
 H     -2.198623      2.517797     -0.009641    0.00   0.000021613   0.000058720  -0.000043991
 H     -0.864074      3.049378     -1.035510    0.00   0.000067334  -0.000018017  -0.000015775
 H      0.768869      1.689899      0.313234    0.00  -0.000032599  -0.000076689   0.000055223
 H     -0.087950      2.853106      1.331545    0.00   0.000007872  -0.000006039  -0.000000057
 H     -3.008223     -0.025531     -0.224227    0.00  -0.000040202   0.000040532   0.000001947
 H     -1.509654      1.146193      2.305979    0.00  -0.000175504   0.000068918  -0.000076338
 H      0.120853      0.473154      2.290811    0.00  -0.000199614   0.000065158   0.000120862
 H     -0.394902      0.671463     -1.715941    0.00  -0.000022629  -0.000024252   0.000007110
 O     -1.156148     -1.515527      1.399642    0.00   0.000326181   0.000204601  -0.000261274
 C     -1.845674     -1.528215     -1.277270    0.00  -0.000679589   0.000139470   0.000260022
 H     -2.213233     -2.382166     -0.689267    0.00  -0.000115705   0.000031683   0.000005747
 H     -2.436427     -1.471890     -2.196343    0.00  -0.000006530   0.000029110  -0.000005114
 H     -0.808237     -1.759987     -1.554468    0.00  -0.000055732  -0.000029710   0.000077817
 H      0.763401     -1.997968      0.746583    0.00   0.000016212   0.000037435   0.000037125
 O      0.826013     -1.358598     -0.047489    0.00   0.001412767  -0.001088900  -0.000333841
 O      1.968887     -0.607715      0.364357    0.00   0.001167713  -0.000699244  -0.000264259
 C      2.592758     -0.188882     -0.826941    0.00   0.000715259  -0.000213066  -0.000163373
 H      2.109399     -0.538071     -1.738249    0.00   0.000087782  -0.000049801  -0.000014523
 O      3.565686      0.500754     -0.664117    0.00   0.000300013   0.000603027  -0.000189424
26
 Energy =      -0.189556709739
 C     -0.229639      1.938676      0.723958    0.00  -0.000303226  -0.000139846   0.000233609
 C     -1.218981      2.203233     -0.414789    0.00   0.000184704   0.000132502  -0.000138951
 C     -1.372969      0.948325     -1.278409    0.00  -0.000206445   0.000046874   0.000049618
 C     -1.929820     -0.233660     -0.468293    0.00  -0.000538509   0.000240235   0.000129586
 C     -1.226287     -0.415438      0.876699    0.00  -0.000598514   0.000231742   0.000156369
 C     -0.700734      0.792948      1.620391    0.00  -0.001432027   0.000446669   0.000388867
 H     -2.040929      1.152129     -2.136893    0.00  -0.000012364   0.000011995   0.000002262
 H     -2.199767      2.514097     -0.007016    0.00   0.000021291   0.000060293  -0.000043511
 H     -0.868269      3.050319     -1.034430    0.00   0.000067604  -0.000017395  -0.000015978
 H      0.770584      1.694748      0.309987    0.00  -0.000033070  -0.000079727   0.000054604
 H     -0.088497      2.853355      1.331539    0.00   0.000009845  -0.000006265  -0.000001106
 H     -3.005664     -0.028029     -0.224327    0.00  -0.000042423   0.000040780   0.000000837
 H     -1.498146      1.141650      2.310133    0.00  -0.000179722   0.000071637  -0.000076141
 H      0.132567      0.469396      2.282765    0.00  -0.000202530   0.000065395   0.000124433
 H     -0.393499      0.672960     -1.716342    0.00  -0.000024513  -0.000024036   0.000006693
 O     -1.157321     -1.516311      1.400630    0.00   0.000278937   0.000214546  -0.000256573
 C     -1.842176     -1.528952     -1.278652    0.00  -0.000676777   0.000141670   0.000274314
 H     -2.205938     -2.383958     -0.689760    0.00  -0.000119692   0.000032786   0.000005579
 H     -2.436054     -1.473738     -2.195794    0.00  -0.000001296   0.000029813  -0.000006844
 H     -0.805140     -1.758068     -1.559377    0.00  -0.000054452  -0.000031219   0.000084625
 H      0.762351     -1.999710      0.743518    0.00   0.000016971   0.000037931   0.000039991
 O      0.820463     -1.354350     -0.046131    0.00   0.001463885  -0.001128834  -0.000344910
 O      1.964252     -0.604914      0.365402    0.00   0.001232812  -0.000751277  -0.000281794
 C      2.589025     -0.187723     -0.826064    0.00   0.000751805  -0.000225618  -0.000173959
 H      2.103953     -0.534872     -1.737250    0.00   0.000092571  -0.000052822  -0.000015582
 O      3.564478      0.498303     -0.663380    0.00   0.000305137   0.000652172  -0.000196040
26
 Energy =      -0.189444039839
 C     -0.228121      1.939370      0.722815    0.00  -0.000305389  -0.000145625   0.000231472
 C     -1.219887      2.202558     -0.414099    0.00   0.000179679   0.000140314  -0.000137591
 C     -1.371893      0.948075     -1.278659    0.00  -0.000225733   0.000055320   0.000051296
 C     -1.927082     -0.234882     -0.468943    0.00  -0.000562350   0.000250391   0.000131084
 C     -1.223203     -0.416638      0.875933    0.00  -0.000636836   0.000245625   0.000164162
 C     -0.693534      0.790713      1.618468    0.00  -0.001460888   0.000456000   0.000399942
 H     -2.040136      1.151376     -2.137034    0.00  -0.000014136   0.000013212   0.000002638
 H     -2.200862      2.510431     -0.004506    0.00   0.000020943   0.000061869  -0.000043015
 H     -0.872337      3.051198     -1.033381    0.00   0.000067873  -0.000016769  -0.000016130
 H      0.772275      1.699612      0.306884    0.00  -0.000033542  -0.000082752   0.000054028
 H     -0.089142      2.853606      1.331593    0.00   0.000011753  -0.000006458  -0.000002097
 H     -3.003054     -0.030460     -0.224349    0.00  -0.000044876   0.000041075  -0.000000543
 H     -1.486803      1.137109      2.314144    0.00  -0.000183795   0.000074388  -0.000075582
 H      0.144079      0.465751      2.274808    0.00  -0.000205269   0.000065347   0.000127853
 H     -0.392031      0.674395     -1.716709    0.00  -0.000026368  -0.000023909   0.000006442
 O     -1.158263     -1.517113      1.401567    0.00   0.000224122   0.000226591  -0.000251183
 C     -1.838813     -1.529675     -1.280067    0.00  -0.000672583   0.000143035   0.000291468
 H     -2.198640     -2.385745     -0.690246    0.00  -0.000123894   0.000033927   0.000005686
 H     -2.436004     -1.475563     -2.195138    0.00   0.000004485   0.000030332  -0.000008648
 H     -0.802254     -1.756115     -1.564540    0.00  -0.000052896  -0.000032904   0.000092199
 H      0.761290     -2.001416      0.740388    0.00   0.000017763   0.000038461   0.000042977
 O      0.814901     -1.350089     -0.044773    0.00   0.001518706  -0.001172296  -0.000358637
 O      1.959522     -0.602008      0.366483    0.00   0.001301502  -0.000806045  -0.000302573
 C      2.585229     -0.186536     -0.825159    0.00   0.000791926  -0.000238848  -0.000186120
 H      2.098394     -0.531591     -1.736211    0.00   0.000097902  -0.000056090  -0.000016835
 O      3.563286      0.495741     -0.662644    0.00   0.000311900   0.000705807  -0.000202296
26
 Energy =      -0.189327285234
 C     -0.226644      1.940069      0.721720    0.00  -0.000308111  -0.000151413   0.000230058
 C     -1.220737      2.201869     -0.413441    0.00   0.000174473   0.000148094  -0.000135755
 C     -1.370761      0.947792     -1.278909    0.00  -0.000245076   0.000063699   0.000053322
 C     -1.924320     -0.236112     -0.469579    0.00  -0.000588796   0.000261478   0.000132456
 C     -1.220032     -0.417864      0.875151    0.00  -0.000679947   0.000261181   0.000172891
 C     -0.686446      0.788513      1.616556    0.00  -0.001490084   0.000464824   0.000411486
 H     -2.039273      1.150579     -2.137188    0.00  -0.000015751   0.000014461   0.000002934
 H     -2.201905      2.506806     -0.002109    0.00   0.000020570   0.000063450  -0.000042511
 H     -0.876277      3.052017     -1.032368    0.00   0.000068161  -0.000016148  -0.000016223
 H      0.773941      1.704477      0.303918    0.00  -0.000034012  -0.000085764   0.000053511
 H     -0.089871      2.853858      1.331699    0.00   0.000013589  -0.000006626  -0.000003011
 H     -3.000388     -0.032823     -0.224283    0.00  -0.000047596   0.000041426  -0.000002234
 H     -1.475660      1.132583      2.317992    0.00  -0.000187675   0.000077164  -0.000074627
 H      0.155366      0.462237      2.266969    0.00  -0.000207823   0.000064974   0.000131068
 H     -0.390509      0.675776     -1.717056    0.00  -0.000028177  -0.000023891   0.000006392
 O     -1.158961     -1.517937      1.402453    0.00   0.000161130   0.000240964  -0.000245268
 C     -1.835591     -1.530378     -1.281524    0.00  -0.000666804   0.000143415   0.000311907
 H     -2.191346     -2.387525     -0.690741    0.00  -0.000128272   0.000035091   0.000006139
 H     -2.436288     -1.477350     -2.194380    0.00   0.000010829   0.000030608  -0.000010512
 H     -0.799592     -1.754126     -1.569971    0.00  -0.000051020  -0.000034754   0.000100589
 H      0.760219     -2.003087      0.737198    0.00   0.000018600   0.000039031   0.000046111
 O      0.809328     -1.345815     -0.043408    0.00   0.001577532  -0.001219684  -0.000375217
 O      1.954705     -0.599000      0.367608    0.00   0.001373928  -0.000863497  -0.000326997
 C      2.581368     -0.185324     -0.824223    0.00   0.000835789  -0.000252582  -0.000200069
 H      2.092713     -0.528229     -1.735127    0.00   0.000103791  -0.000059570  -0.000018312
 O      3.562105      0.493065     -0.661912    0.00   0.000320752   0.000764069  -0.000208129
26
 Energy =      -0.189206092663
 C     -0.225207      1.940769      0.720670    0.00  -0.000311406  -0.000157283   0.000229501
 C     -1.221532      2.201170     -0.412817    0.00   0.000169175   0.000155784  -0.000133384
 C     -1.369582      0.947481     -1.279160    0.00  -0.000264385   0.000071942   0.000055769
 C     -1.921530     -0.237350     -0.470197    0.00  -0.000618276   0.000273602   0.000133686
 C     -1.216767     -0.419120      0.874352    0.00  -0.000728483   0.000278614   0.000182664
 C     -0.679481      0.786355      1.614657    0.00  -0.001519667   0.000473048   0.000423549
 H     -2.038359      1.149742     -2.137351    0.00  -0.000017169   0.000015743   0.000003130
 H     -2.202897      2.503229      0.000174    0.00   0.000020183   0.000065039  -0.000042001
 H     -0.880086      3.052778     -1.031393    0.00   0.000068484  -0.000015542  -0.000016258
 H      0.775579      1.709328      0.301085    0.00  -0.000034482  -0.000088766   0.000053075
 H     -0.090672      2.854110      1.331849    0.00   0.000015345  -0.000006774  -0.000003833
 H     -2.997662     -0.035122     -0.224117    0.00  -0.000050628   0.000041842  -0.000004281
 H     -1.464749      1.128082      2.321659    0.00  -0.000191308   0.000079954  -0.000073243
 H      0.166403      0.458872      2.259277    0.00  -0.000210192   0.000064230   0.000134022
 H     -0.388944      0.677109     -1.717395    0.00  -0.000029926  -0.000024013   0.000006578
 O     -1.159399     -1.518788      1.403286    0.00   0.000089370   0.000257925  -0.000239018
 C     -1.832517     -1.531055     -1.283032    0.00  -0.000659211   0.000142664   0.000336062
 H     -2.184071     -2.389295     -0.691264    0.00  -0.000132774   0.000036261   0.000007020
 H     -2.436912     -1.479080     -2.193525    0.00   0.000017744   0.000030575  -0.000012417
 H     -0.797165     -1.752099     -1.575681    0.00  -0.000048772  -0.000036752   0.000109832
 H      0.759138     -2.004723      0.733953    0.00   0.000019502   0.000039648   0.000049426
 O      0.803749     -1.341525     -0.042032    0.00   0.001640687  -0.001271461  -0.000394849
 O      1.949806     -0.595899      0.368783    0.00   0.001450187  -0.000923532  -0.000355484
 C      2.577438     -0.184091     -0.823251    0.00   0.000883544  -0.000266581  -0.000216021
 H      2.086905     -0.524791     -1.733989    0.00   0.000110243  -0.000063220  -0.000020044
 O      3.560929      0.490275     -0.661188    0.00   0.000332214   0.000827054  -0.000213481
26
 Energy =      -0.189080069488
 C     -0.223809      1.941470      0.719660    0.00  -0.000315264  -0.000163322   0.000229945
 C     -1.222272      2.200463     -0.412229    0.00   0.000163888   0.000163319  -0.000130430
 C     -1.368362      0.947146     -1.279414    0.00  -0.000283548   0.000079952   0.000058720
 C     -1.918709     -0.238598     -0.470798    0.00  -0.000651276   0.000286878   0.000134780
 C     -1.213398     -0.420407      0.873534    0.00  -0.000783141   0.000298165   0.000193597
 C     -0.672650      0.784244      1.612774    0.00  -0.001549704   0.000480570   0.000436171
 H     -2.037410      1.148868     -2.137514    0.00  -0.000018343   0.000017061   0.000003209
 H     -2.203838      2.499706      0.002345    0.00   0.000019789   0.000066633  -0.000041488
 H     -0.883764      3.053484     -1.030460    0.00   0.000068853  -0.000014959  -0.000016225
 H      0.777186      1.714150      0.298378    0.00  -0.000034951  -0.000091767   0.000052737
 H     -0.091534      2.854362      1.332033    0.00   0.000017021  -0.000006914  -0.000004549
 H     -2.994870     -0.037357     -0.223838    0.00  -0.000054019   0.000042331  -0.000006733
 H     -1.454104      1.123621      2.325126    0.00  -0.000194636   0.000082755  -0.000071397
 H      0.177167      0.455676      2.251762    0.00  -0.000212374   0.000063072   0.000136649
 H     -0.387347      0.678401     -1.717738    0.00  -0.000031592  -0.000024309   0.000007054
 O     -1.159566     -1.519671      1.404068    0.00   0.000008264   0.000277738  -0.000232637
 C     -1.829599     -1.531701     -1.284600    0.00  -0.000649561   0.000140642   0.000364356
 H     -2.176831     -2.391050     -0.691838    0.00  -0.000137332   0.000037416   0.000008413
 H     -2.437878     -1.480733     -2.192582    0.00   0.000025231   0.000030158  -0.000014342
 H     -0.794985     -1.750036     -1.581676    0.00  -0.000046097  -0.000038869   0.000119958
 H      0.758047     -2.006325      0.730658    0.00   0.000020493   0.000040321   0.000052960
 O      0.798165     -1.337219     -0.040638    0.00   0.001708527  -0.001328151  -0.000417728
 O      1.944834     -0.592712      0.370015    0.00   0.001530349  -0.000985984  -0.000388468
 C      2.573440     -0.182841     -0.822240    0.00   0.000935312  -0.000280552  -0.000234198
 H      2.080967     -0.521286     -1.732793    0.00   0.000117259  -0.000066982  -0.000022063
 O      3.559753      0.487373     -0.660475    0.00   0.000346852   0.000894799  -0.000218294
26
 Energy =      -0.188948781228
 C     -0.222449      1.942170      0.718685    0.00  -0.000319652  -0.000169641   0.000231519
 C     -1.222961      2.199752     -0.411679    0.00   0.000158706   0.000170608  -0.000126826
 C     -1.367110      0.946791     -1.279671    0.00  -0.000302432   0.000087611   0.000062305
 C     -1.915851     -0.239855     -0.471379    0.00  -0.000688355   0.000301419   0.000135744
 C     -1.209917     -0.421729      0.872696    0.00  -0.000844690   0.000320080   0.000205827
 C     -0.665963      0.782188      1.610909    0.00  -0.001580257   0.000487302   0.000449406
 H     -2.036447      1.147962     -2.137672    0.00  -0.000019216   0.000018407   0.000003148
 H     -2.204727      2.496246      0.004405    0.00   0.000019393   0.000068229  -0.000040971
 H     -0.887314      3.054139     -1.029572    0.00   0.000069285  -0.000014411  -0.000016124
 H      0.778762      1.718930      0.295792    0.00  -0.000035417  -0.000094780   0.000052511
 H     -0.092445      2.854612      1.332244    0.00   0.000018624  -0.000007058  -0.000005150
 H     -2.992005     -0.039529     -0.223435    0.00  -0.000057824   0.000042903  -0.000009641
 H     -1.443758      1.119210      2.328374    0.00  -0.000197594   0.000085561  -0.000069057
 H      0.187638      0.452668      2.244455    0.00  -0.000214369   0.000061451   0.000138882
 H     -0.385732      0.679662     -1.718100    0.00  -0.000033149  -0.000024820   0.000007877
 O     -1.159451     -1.520590      1.404800    0.00  -0.000082721   0.000300695  -0.000226324
 C     -1.826844     -1.532310     -1.286236    0.00  -0.000637589   0.000137234   0.000397174
 H     -2.169647     -2.392785     -0.692481    0.00  -0.000141856   0.000038534   0.000010400
 H     -2.439187     -1.482290     -2.191560    0.00   0.000033278   0.000029279  -0.000016261
 H     -0.793063     -1.747942     -1.587961    0.00  -0.000042940  -0.000041059   0.000130982
 H      0.756945     -2.007894      0.727314    0.00   0.000021603   0.000041055   0.000056754
 O      0.792580     -1.332895     -0.039222    0.00   0.001781435  -0.001390343  -0.000444065
 O      1.939798     -0.589449      0.371312    0.00   0.001614431  -0.001050615  -0.000426371
 C      2.569375     -0.181581     -0.821187    0.00   0.000991189  -0.000294133  -0.000254816
 H      2.074899     -0.517727     -1.731530    0.00   0.000124831  -0.000070785  -0.000024400
 O      3.558569      0.484362     -0.659776    0.00   0.000365285   0.000967278  -0.000222522
26
 Energy =      -0.188811749446
 C     -0.221127      1.942868      0.717741    0.00  -0.000324499  -0.000176369   0.000234313
 C     -1.223599      2.199042     -0.411168    0.00   0.000153730   0.000177539  -0.000122496
 C     -1.365834      0.946420     -1.279934    0.00  -0.000320875   0.000094746   0.000066670
 C     -1.912952     -0.241122     -0.471940    0.00  -0.000730146   0.000317327   0.000136611
 C     -1.206316     -0.423088      0.871839    0.00  -0.000913974   0.000344627   0.000219511
 C     -0.659430      0.780192      1.609065    0.00  -0.001611390   0.000493166   0.000463298
 H     -2.035490      1.147027     -2.137815    0.00  -0.000019718   0.000019778   0.000002918
 H     -2.205567      2.492856      0.006355    0.00   0.000019006   0.000069819  -0.000040447
 H     -0.890735      3.054746     -1.028733    0.00   0.000069788  -0.000013908  -0.000015948
 H      0.780303      1.723656      0.293318    0.00  -0.000035880  -0.000097824   0.000052412
 H     -0.093394      2.854861      1.332473    0.00   0.000020165  -0.000007220  -0.000005628
 H     -2.989062     -0.041642     -0.222895    0.00  -0.000062105   0.000043566  -0.000013060
 H     -1.433744      1.114861      2.331386    0.00  -0.000200112   0.000088372  -0.000066190
 H      0.197795      0.449866      2.237387    0.00  -0.000216183   0.000059314   0.000140646
 H     -0.384113      0.680900     -1.718498    0.00  -0.000034562  -0.000025592   0.000009121
 O     -1.159046     -1.521548      1.405483    0.00  -0.000184065   0.000327108  -0.000220258
 C     -1.824258     -1.532877     -1.287949    0.00  -0.000623029   0.000132356   0.000434848
 H     -2.162545     -2.394496     -0.693217    0.00  -0.000146239   0.000039588   0.000013054
 H     -2.440832     -1.483726     -2.190471    0.00   0.000041871   0.000027860  -0.000018154
 H     -0.791409     -1.745825     -1.594533    0.00  -0.000039242  -0.000043265   0.000142901
 H      0.755830     -2.009431      0.723924    0.00   0.000022866   0.000041852   0.000060851
 O      0.786997     -1.328553     -0.037779    0.00   0.001859830  -0.001458677  -0.000474087
 O      1.934710     -0.586121      0.372678    0.00   0.001702404  -0.001117118  -0.000469592
 C      2.565245     -0.180319     -0.820088    0.00   0.001051231  -0.000306904  -0.000278061
 H      2.068707     -0.514131     -1.730195    0.00   0.000132946  -0.000074548  -0.000027085
 O      3.557371      0.481246     -0.659095    0.00   0.000388183   0.001044405  -0.000226151
26
 Energy =      -0.188668450181
 C     -0.219843      1.943563      0.716825    0.00  -0.000329697  -0.000183656   0.000238412
 C     -1.224191      2.198337     -0.410698    0.00   0.000149051   0.000183967  -0.000117366
 C     -1.364543      0.946038     -1.280204    0.00  -0.000338682   0.000101152   0.000072011
 C     -1.910006     -0.242399     -0.472480    0.00  -0.000777353   0.000334684   0.000137429
 C     -1.202585     -0.424488      0.870959    0.00  -0.000991903   0.000372087   0.000234853
 C     -0.653059      0.778262      1.607243    0.00  -0.001643165   0.000498084   0.000477888
 H     -2.034562      1.146068     -2.137936    0.00  -0.000019768   0.000021159   0.000002492
 H     -2.206358      2.489541      0.008198    0.00   0.000018632   0.000071391  -0.000039911
 H     -0.894029      3.055309     -1.027943    0.00   0.000070367  -0.000013467  -0.000015696
 H      0.781806      1.728317      0.290951    0.00  -0.000036338  -0.000100924   0.000052444
 H     -0.094372      2.855111      1.332713    0.00   0.000021666  -0.000007416  -0.000005981
 H     -2.986034     -0.043696     -0.222208    0.00  -0.000066933   0.000044328  -0.000017045
 H     -1.424094      1.110584      2.334148    0.00  -0.000202112   0.000091195  -0.000062760
 H      0.207620      0.447287      2.230587    0.00  -0.000217819   0.000056611   0.000141863
 H     -0.382502      0.682127     -1.718947    0.00  -0.000035795  -0.000026684   0.000010871
 O     -1.158345     -1.522550      1.406120    0.00  -0.000296180   0.000357324  -0.000214576
 C     -1.821847     -1.533397     -1.289745    0.00  -0.000605606   0.000125978   0.000477609
 H     -2.155554     -2.396177     -0.694066    0.00  -0.000150356   0.000040550   0.000016438
 H     -2.442806     -1.485020     -2.189327    0.00   0.000050983   0.000025824  -0.000019992
 H     -0.790031     -1.743695     -1.601387    0.00  -0.000034947  -0.000045409   0.000155693
 H      0.754698     -2.010936      0.720490    0.00   0.000024321   0.000042714   0.000065297
 O      0.781419     -1.324191     -0.036307    0.00   0.001944162  -0.001533843  -0.000508058
 O      1.929581     -0.582742      0.374119    0.00   0.001794182  -0.001185119  -0.000518475
 C      2.561053     -0.179064     -0.818941    0.00   0.001115472  -0.000318376  -0.000304090
 H      2.062397     -0.510518     -1.728783    0.00   0.000141580  -0.000078176  -0.000030141
 O      3.556148      0.478033     -0.658434    0.00   0.000416240   0.001126022  -0.000229208
26
 Energy =      -0.188518312852
 C     -0.218598      1.944256      0.715931    0.00  -0.000335116  -0.000191674   0.000243846
 C     -1.224740      2.197641     -0.410270    0.00   0.000144751   0.000189710  -0.000111349
 C     -1.363245      0.945651     -1.280484    0.00  -0.000355615   0.000106554   0.000078557
 C     -1.907007     -0.243685     -0.472999    0.00  -0.000830756   0.000353559   0.000138291
 C     -1.198716     -0.425931      0.870056    0.00  -0.001079471   0.000402747   0.000252065
 C     -0.646859      0.776404      1.605447    0.00  -0.001675640   0.000501998   0.000493221
 H     -2.033685      1.145091     -2.138027    0.00  -0.000019273   0.000022535   0.000001832
 H     -2.207103      2.486311      0.009934    0.00   0.000018280   0.000072924  -0.000039356
 H     -0.897199      3.055833     -1.027207    0.00   0.000071022  -0.000013103  -0.000015363
 H      0.783270      1.732903      0.288684    0.00  -0.000036788  -0.000104112   0.000052609
 H     -0.095372      2.855362      1.332955    0.00   0.000023155  -0.000007660  -0.000006216
 H     -2.982912     -0.045695     -0.221362    0.00  -0.000072384   0.000045195  -0.000021656
 H     -1.414836      1.106389      2.336644    0.00  -0.000203510   0.000094038  -0.000058731
 H      0.217097      0.444947      2.224083    0.00  -0.000219279   0.000053284   0.000142450
 H     -0.380915      0.683355     -1.719467    0.00  -0.000036800  -0.000028161   0.000013228
 O     -1.157347     -1.523599      1.406714    0.00  -0.000419377   0.000391724  -0.000209332
 C     -1.819616     -1.533867     -1.291630    0.00  -0.000585052   0.000118117   0.000525565
 H     -2.148707     -2.397821     -0.695047    0.00  -0.000154064   0.000041393   0.000020594
 H     -2.445095     -1.486149     -2.188142    0.00   0.000060581   0.000023099  -0.000021760
 H     -0.788936     -1.741567     -1.608510    0.00  -0.000030003  -0.000047394   0.000169318
 H      0.753546     -2.012410      0.717013    0.00   0.000026017   0.000043634   0.000070128
 O      0.775851     -1.319806     -0.034800    0.00   0.002034906  -0.001616563  -0.000546282
 O      1.924423     -0.579324      0.375640    0.00   0.001889628  -0.001254171  -0.000573286
 C      2.556806     -0.177826     -0.817743    0.00   0.001183903  -0.000328014  -0.000333011
 H      2.055981     -0.506914     -1.727289    0.00   0.000150702  -0.000081564  -0.000033586
 O      3.554894      0.474731     -0.657795    0.00   0.000450183   0.001211905  -0.000231777
26
 Energy =      -0.188360719668
 C     -0.217392      1.944947      0.715058    0.00  -0.000340585  -0.000200622   0.000250616
 C     -1.225247      2.196959     -0.409886    0.00   0.000140901   0.000194551  -0.000104370
 C     -1.361951      0.945266     -1.280777    0.00  -0.000371409   0.000110625   0.000086578
 C     -1.903948     -0.244980     -0.473498    0.00  -0.000891201   0.000373982   0.000139299
 C     -1.194701     -0.427420      0.869129    0.00  -0.001177732   0.000436897   0.000271430
 C     -0.640835      0.774621      1.603677    0.00  -0.001708856   0.000504869   0.000509340
 H     -2.032883      1.144103     -2.138080    0.00  -0.000018124   0.000023879   0.000000900
 H     -2.207803      2.483170      0.011565    0.00   0.000017954   0.000074394  -0.000038769
 H     -0.900246      3.056323     -1.026524    0.00   0.000071750  -0.000012836  -0.000014953
 H      0.784693      1.737408      0.286511    0.00  -0.000037227  -0.000107421   0.000052902
 H     -0.096388      2.855616      1.333194    0.00   0.000024669  -0.000007972  -0.000006341
 H     -2.979689     -0.047639     -0.220348    0.00  -0.000078541   0.000046173  -0.000026946
 H     -1.405999      1.102283      2.338863    0.00  -0.000204217   0.000096919  -0.000054060
 H      0.226212      0.442863      2.217902    0.00  -0.000220560   0.000049274   0.000142320
 H     -0.379367      0.684597     -1.720077    0.00  -0.000037524  -0.000030096   0.000016308
 O     -1.156052     -1.524697      1.407268    0.00  -0.000553873   0.000430725  -0.000204489
 C     -1.817570     -1.534285     -1.293606    0.00  -0.000561110   0.000108876   0.000578676
 H     -2.142040     -2.399422     -0.696174    0.00  -0.000157208   0.000042084   0.000025535
 H     -2.447683     -1.487094     -2.186930    0.00   0.000070627   0.000019623  -0.000023439
 H     -0.788127     -1.739458     -1.615884    0.00  -0.000024364  -0.000049107   0.000183711
 H      0.752368     -2.013854      0.713494    0.00   0.000028007   0.000044601   0.000075375
 O      0.770296     -1.315397     -0.033258    0.00   0.002132575  -0.001707578  -0.000589137
 O      1.919249     -0.575882      0.377243    0.00   0.001988545  -0.001323770  -0.000634180
 C      2.552509     -0.176617     -0.816494    0.00   0.001256500  -0.000335238  -0.000364842
 H      2.049473     -0.503343     -1.725711    0.00   0.000160274  -0.000084602  -0.000037429
 O      3.553600      0.471350     -0.657180    0.00   0.000490730   0.001301769  -0.000234035
26
 Energy =      -0.188195005489
 C     -0.216227      1.945637      0.714201    0.00  -0.000345920  -0.000210717   0.000258679
 C     -1.225718      2.196296     -0.409546    0.00   0.000137558   0.000198226  -0.000096352
 C     -1.360669      0.944888     -1.281085    0.00  -0.000385746   0.000112980   0.000096372
 C     -1.900822     -0.246284     -0.473976    0.00  -0.000959614   0.000395964   0.000140631
 C     -1.190530     -0.428956      0.868176    0.00  -0.001287820   0.000474826   0.000293269
 C     -0.634993      0.772918      1.601937    0.00  -0.001742817   0.000506650   0.000526280
 H     -2.032181      1.143109     -2.138085    0.00  -0.000016207   0.000025160  -0.000000347
 H     -2.208461      2.480128      0.013094    0.00   0.000017660   0.000075769  -0.000038144
 H     -0.903173      3.056785     -1.025895    0.00   0.000072539  -0.000012689  -0.000014462
 H      0.786070      1.741828      0.284427    0.00  -0.000037653  -0.000110901   0.000053309
 H     -0.097416      2.855876      1.333426    0.00   0.000026252  -0.000008366  -0.000006378
 H     -2.976356     -0.049530     -0.219158    0.00  -0.000085496   0.000047260  -0.000032984
 H     -1.397607      1.098271      2.340795    0.00  -0.000204141   0.000099853  -0.000048705
 H      0.234955      0.441047      2.212066    0.00  -0.000221654   0.000044527   0.000141386
 H     -0.377874      0.685866     -1.720797    0.00  -0.000037902  -0.000032573   0.000020238
 O     -1.154466     -1.525849      1.407783    0.00  -0.000699758   0.000474784  -0.000199878
 C     -1.815710     -1.534648     -1.295674    0.00  -0.000533538   0.000098425   0.000636721
 H     -2.135590     -2.400973     -0.697459    0.00  -0.000159620   0.000042603   0.000031244
 H     -2.450550     -1.487835     -2.185704    0.00   0.000081079   0.000015350  -0.000025023
 H     -0.787609     -1.737389     -1.623486    0.00  -0.000017991  -0.000050412   0.000198782
 H      0.751159     -2.015266      0.709934    0.00   0.000030341   0.000045594   0.000081060
 O      0.764756     -1.310962     -0.031677    0.00   0.002237713  -0.001807631  -0.000637089
 O      1.914074     -0.572433      0.378930    0.00   0.002090694  -0.001393346  -0.000701174
 C      2.548170     -0.175447     -0.815193    0.00   0.001333193  -0.000339436  -0.000399527
 H      2.042889     -0.499835     -1.724047    0.00   0.000170249  -0.000087178  -0.000041663
 O      3.552257      0.467903     -0.656590    0.00   0.000538600   0.001395277  -0.000236246
26
 Energy =      -0.188020458107
 C     -0.215104      1.946327      0.713360    0.00  -0.000350916  -0.000222213   0.000267943
 C     -1.226155      2.195657     -0.409251    0.00   0.000134761   0.000200435  -0.000087240
 C     -1.359408      0.944524     -1.281412    0.00  -0.000398293   0.000113173   0.000108250
 C     -1.897620     -0.247595     -0.474436    0.00  -0.001036887   0.000419462   0.000142458
 C     -1.186197     -0.430542      0.867195    0.00  -0.001410913   0.000516808   0.000317946
 C     -0.629336      0.771297      1.600226    0.00  -0.001777560   0.000507326   0.000544110
 H     -2.031603      1.142117     -2.138034    0.00  -0.000013396   0.000026341  -0.000001955
 H     -2.209079      2.477190      0.014522    0.00   0.000017399   0.000077014  -0.000037467
 H     -0.905982      3.057225     -1.025321    0.00   0.000073378  -0.000012687  -0.000013896
 H      0.787402      1.746161      0.282428    0.00  -0.000038065  -0.000114597   0.000053812
 H     -0.098455      2.856142      1.333647    0.00   0.000027953  -0.000008863  -0.000006348
 H     -2.972904     -0.051371     -0.217783    0.00  -0.000093341   0.000048461  -0.000039814
 H     -1.389680      1.094357      2.342430    0.00  -0.000203175   0.000102877  -0.000042603
 H      0.243318      0.439510      2.206597    0.00  -0.000222549   0.000038973   0.000139555
 H     -0.376450      0.687177     -1.721649    0.00  -0.000037871  -0.000035685   0.000025153
 O     -1.152594     -1.527057      1.408262    0.00  -0.000857014   0.000524411  -0.000195178
 C     -1.814040     -1.534957     -1.297833    0.00  -0.000502136   0.000087024   0.000699286
 H     -2.129394     -2.402467     -0.698908    0.00  -0.000161131   0.000042922   0.000037668
 H     -2.453673     -1.488358     -2.184475    0.00   0.000091893   0.000010249  -0.000026517
 H     -0.787378     -1.735383     -1.631288    0.00  -0.000010852  -0.000051160   0.000214432
 H      0.749910     -2.016646      0.706337    0.00   0.000033097   0.000046576   0.000087177
 O      0.759233     -1.306498     -0.030054    0.00   0.002350860  -0.001917418  -0.000690683
 O      1.908911     -0.568991      0.380700    0.00   0.002195774  -0.001462316  -0.000774113
 C      2.543798     -0.174329     -0.813843    0.00   0.001413927  -0.000339987  -0.000436894
 H      2.036249     -0.496417     -1.722301    0.00   0.000180578  -0.000089180  -0.000046271
 O      3.550857      0.464401     -0.656023    0.00   0.000594479   0.001492053  -0.000238813
26
 Energy =      -0.187836318822
 C     -0.214025      1.947020      0.712532    0.00  -0.000355375  -0.000235391   0.000278277
 C     -1.226562      2.195046     -0.409000    0.00   0.000132533   0.000200838  -0.000077001
 C     -1.358178      0.944183     -1.281762    0.00  -0.000408688   0.000110727   0.000122536
 C     -1.894336     -0.248911     -0.474878    0.00  -0.001123977   0.000444410   0.000144991
 C     -1.181694     -0.432178      0.866183    0.00  -0.001548229   0.000563092   0.000345924
 C     -0.623867      0.769760      1.598548    0.00  -0.001813061   0.000506876   0.000562904
 H     -2.031174      1.141136     -2.137918    0.00  -0.000009558   0.000027380  -0.000003977
 H     -2.209661      2.474365      0.015852    0.00   0.000017178   0.000078087  -0.000036730
 H     -0.908674      3.057648     -1.024802    0.00   0.000074248  -0.000012861  -0.000013260
 H      0.788686      1.750405      0.280511    0.00  -0.000038456  -0.000118570   0.000054388
 H     -0.099504      2.856417      1.333855    0.00   0.000029825  -0.000009477  -0.000006285
 H     -2.969326     -0.053164     -0.216219    0.00  -0.000102172   0.000049774  -0.000047495
 H     -1.382238      1.090543      2.343763    0.00  -0.000201211   0.000106020  -0.000035692
 H      0.251294      0.438262      2.201513    0.00  -0.000223220   0.000032548   0.000136733
 H     -0.375113      0.688546     -1.722654    0.00  -0.000037354  -0.000039522   0.000031191
 O     -1.150449     -1.528324      1.408706    0.00  -0.001025489   0.000580145  -0.000189916
 C     -1.812558     -1.535213     -1.300075    0.00  -0.000466726   0.000075023   0.000765778
 H     -2.123487     -2.403899     -0.700522    0.00  -0.000161574   0.000043017   0.000044717
 H     -2.457028     -1.488653     -2.183254    0.00   0.000103025   0.000004310  -0.000027932
 H     -0.787434     -1.733465     -1.639257    0.00  -0.000002938  -0.000051188   0.000230533
 H      0.748615     -2.017991      0.702705    0.00   0.000036344   0.000047500   0.000093704
 O      0.753731     -1.302004     -0.028387    0.00   0.002472598  -0.002037615  -0.000750598
 O      1.903774     -0.565572      0.382551    0.00   0.002303449  -0.001530040  -0.000852657
 C      2.539400     -0.173275     -0.812445    0.00   0.001498604  -0.000336275  -0.000476648
 H      2.029573     -0.493118     -1.720473    0.00   0.000191200  -0.000090500  -0.000051217
 O      3.549394      0.460858     -0.655479    0.00   0.000659025   0.001591695  -0.000242266
26
 Energy =       -0.18764178321
 C     -0.212992      1.947716      0.711716    0.00  -0.000359114  -0.000250573   0.000289513
 C     -1.226941      2.194471     -0.408794    0.00   0.000130885   0.000199076  -0.000065626
 C     -1.356988      0.943871     -1.282139    0.00  -0.000416547   0.000105134   0.000139524
 C     -1.890961     -0.250231     -0.475306    0.00  -0.001221769   0.000470703   0.000148475
 C     -1.177013     -0.433865      0.865138    0.00  -0.001701031   0.000613919   0.000377701
 C     -0.618587      0.768307      1.596903    0.00  -0.001849278   0.000505284   0.000582751
 H     -2.030917      1.140174     -2.137729    0.00  -0.000004568   0.000028230  -0.000006465
 H     -2.210208      2.471658      0.017085    0.00   0.000016989   0.000078942  -0.000035928
 H     -0.911251      3.058061     -1.024335    0.00   0.000075137  -0.000013238  -0.000012559
 H      0.789920      1.754563      0.278673    0.00  -0.000038833  -0.000122880   0.000055000
 H     -0.100565      2.856704      1.334051    0.00   0.000031928  -0.000010235  -0.000006225
 H     -2.965611     -0.054909     -0.214461    0.00  -0.000112085   0.000051196  -0.000056073
 H     -1.375296      1.086829      2.344787    0.00  -0.000198138   0.000109320  -0.000027894
 H      0.258880      0.437309      2.196830    0.00  -0.000223629   0.000025188   0.000132829
 H     -0.373876      0.689987     -1.723833    0.00  -0.000036283  -0.000044182   0.000038488
 O     -1.148041     -1.529651      1.409114    0.00  -0.001204912   0.000642553  -0.000183434
 C     -1.811263     -1.535420     -1.302395    0.00  -0.000427193   0.000062832   0.000835407
 H     -2.117906     -2.405261     -0.702294    0.00  -0.000160785   0.000042864   0.000052265
 H     -2.460588     -1.488712     -2.182050    0.00   0.000114425  -0.000002454  -0.000029298
 H     -0.787770     -1.731663     -1.647358    0.00   0.000005764  -0.000050327   0.000246945
 H      0.747266     -2.019298      0.699047    0.00   0.000040164   0.000048308   0.000100586
 O      0.748249     -1.297479     -0.026672    0.00   0.002603511  -0.002168826  -0.000817623
 O      1.898676     -0.562191      0.384479    0.00   0.002413341  -0.001595869  -0.000936270
 C      2.534987     -0.172296     -0.811005    0.00   0.001587119  -0.000327709  -0.000518360
 H      2.022882     -0.489965     -1.718571    0.00   0.000202056  -0.000091044  -0.000056448
 O      3.547860      0.457287     -0.654955    0.00   0.000732843   0.001693790  -0.000247282
26
 Energy =      -0.187436002092
 C     -0.212007      1.948419      0.710913    0.00  -0.000361974  -0.000268100   0.000301449
 C     -1.227296      2.193934     -0.408632    0.00   0.000129805   0.000194771  -0.000053152
 C     -1.355844      0.943596     -1.282545    0.00  -0.000421482   0.000095891   0.000159456
 C     -1.887489     -0.251552     -0.475722    0.00  -0.001331056   0.000498209   0.000153177
 C     -1.172150     -0.435604      0.864057    0.00  -0.001870580   0.000669457   0.000413855
 C     -0.613496      0.766940      1.595291    0.00  -0.001886160   0.000502509   0.000603802
 H     -2.030855      1.139239     -2.137458    0.00   0.000001692   0.000028847  -0.000009470
 H     -2.210723      2.469076      0.018226    0.00   0.000016840   0.000079540  -0.000035061
 H     -0.913715      3.058470     -1.023919    0.00   0.000076021  -0.000013853  -0.000011800
 H      0.791105      1.758640      0.276913    0.00  -0.000039195  -0.000127599   0.000055607
 H     -0.101640      2.857005      1.334236    0.00   0.000034318  -0.000011145  -0.000006211
 H     -2.961754     -0.056607     -0.212508    0.00  -0.000123165   0.000052725  -0.000065598
 H     -1.368865      1.083212      2.345500    0.00  -0.000193832   0.000112821  -0.000019119
 H      0.266074      0.436657      2.192558    0.00  -0.000223736   0.000016820   0.000127746
 H     -0.372756      0.691516     -1.725204    0.00  -0.000034570  -0.000049752   0.000047168
 O     -1.145388     -1.531042      1.409486    0.00  -0.001394920   0.000712231  -0.000174920
 C     -1.810152     -1.535582     -1.304781    0.00  -0.000383474   0.000050926   0.000907232
 H     -2.112682     -2.406550     -0.704214    0.00  -0.000158618   0.000042449   0.000060158
 H     -2.464326     -1.488533     -2.180869    0.00   0.000126046  -0.000010012  -0.000030649
 H     -0.788379     -1.730004     -1.655551    0.00   0.000015244  -0.000048404   0.000263516
 H      0.745853     -2.020562      0.695369    0.00   0.000044649   0.000048927   0.000107738
 O      0.742791     -1.292920     -0.024907    0.00   0.002744179  -0.002311565  -0.000892676
 O      1.893630     -0.558862      0.386476    0.00   0.002525047  -0.001659140  -0.001024186
 C      2.530567     -0.171401     -0.809528    0.00   0.001679381  -0.000313741  -0.000561487
 H      2.016199     -0.486982     -1.716602    0.00   0.000213080  -0.000090732  -0.000061898
 O      3.546251      0.453701     -0.654447    0.00   0.000816459   0.001797918  -0.000254678
26
 Energy =      -0.187218082516
 C     -0.211070      1.949132      0.710123    0.00  -0.000363855  -0.000288373   0.000313856
 C     -1.227628      2.193443     -0.408512    0.00   0.000129266   0.000187569  -0.000039652
 C     -1.354756      0.943365     -1.282985    0.00  -0.000423110   0.000082542   0.000182527
 C     -1.883915     -0.252872     -0.476129    0.00  -0.001452498   0.000526767   0.000159339
 C     -1.167099     -0.437395      0.862936    0.00  -0.002058132   0.000729837   0.000455051
 C     -0.608593      0.765657      1.593712    0.00  -0.001923619   0.000498533   0.000626226
 H     -2.031006      1.138341     -2.137099    0.00   0.000009332   0.000029184  -0.000013048
 H     -2.211208      2.466625      0.019276    0.00   0.000016722   0.000079833  -0.000034133
 H     -0.916067      3.058882     -1.023552    0.00   0.000076893  -0.000014732  -0.000010996
 H      0.792240      1.762640      0.275231    0.00  -0.000039552  -0.000132802   0.000056174
 H     -0.102734      2.857321      1.334412    0.00   0.000037053  -0.000012234  -0.000006291
 H     -2.957748     -0.058262     -0.210359    0.00  -0.000135495   0.000054362  -0.000076107
 H     -1.362954      1.079689      2.345897    0.00  -0.000188170   0.000116564  -0.000009261
 H      0.272876      0.436309      2.188708    0.00  -0.000223476   0.000007389   0.000121395
 H     -0.371764      0.693145     -1.726786    0.00  -0.000032149  -0.000056316   0.000057331
 O     -1.142507     -1.532498      1.409818    0.00  -0.001595061   0.000789749  -0.000163403
 C     -1.809221     -1.535704     -1.307221    0.00  -0.000335559   0.000039816   0.000980170
 H     -2.107841     -2.407758     -0.706264    0.00  -0.000154956   0.000041754   0.000068213
 H     -2.468214     -1.488119     -2.179713    0.00   0.000137832  -0.000018310  -0.000032035
 H     -0.789250     -1.728514     -1.663797    0.00   0.000025485  -0.000045258   0.000280084
 H      0.744368     -2.021778      0.691686    0.00   0.000049899   0.000049267   0.000115035
 O      0.737355     -1.288328     -0.023088    0.00   0.002895187  -0.002466246  -0.000976782
 O      1.888647     -0.555600      0.388536    0.00   0.002638145  -0.001719191  -0.001115462
 C      2.526150     -0.170601     -0.808021    0.00   0.001775269  -0.000293882  -0.000605346
 H      2.009545     -0.484191     -1.714576    0.00   0.000224202  -0.000089500  -0.000067478
 O      3.544562      0.450113     -0.653950    0.00   0.000910349   0.001903678  -0.000265407
26
 Energy =      -0.186987089002
 C     -0.210183      1.949858      0.709347    0.00  -0.000364704  -0.000311801   0.000326475
 C     -1.227942      2.193000     -0.408433    0.00   0.000129233   0.000177140  -0.000025246
 C     -1.353730      0.943184     -1.283459    0.00  -0.000421048   0.000064670   0.000208810
 C     -1.880233     -0.254187     -0.476530    0.00  -0.001586547   0.000556189   0.000167224
 C     -1.161855     -0.439235      0.861771    0.00  -0.002264916   0.000795134   0.000502025
 C     -0.603877      0.764458      1.592166    0.00  -0.001961552   0.000493309   0.000650261
 H     -2.031387      1.137486     -2.136645    0.00   0.000018427   0.000029207  -0.000017241
 H     -2.211665      2.464310      0.020240    0.00   0.000016629   0.000079787  -0.000033163
 H     -0.918311      3.059303     -1.023231    0.00   0.000077740  -0.000015902  -0.000010148
 H      0.793325      1.766572      0.273627    0.00  -0.000039919  -0.000138570   0.000056645
 H     -0.103851      2.857656      1.334583    0.00   0.000040187  -0.000013523  -0.000006513
 H     -2.953587     -0.059872     -0.208015    0.00  -0.000149138   0.000056107  -0.000087644
 H     -1.357569      1.076256      2.345978    0.00  -0.000181033   0.000120596   0.000001790
 H      0.279288      0.436265      2.185284    0.00  -0.000222781  -0.000003177   0.000113687
 H     -0.370913      0.694888     -1.728593    0.00  -0.000028948  -0.000063930   0.000069050
 O     -1.139415     -1.534022      1.410107    0.00  -0.001804825   0.000875637  -0.000147778
 C     -1.808465     -1.535793     -1.309700    0.00  -0.000283530   0.000030019   0.001053047
 H     -2.103407     -2.408883     -0.708423    0.00  -0.000149697   0.000040765   0.000076225
 H     -2.472226     -1.487478     -2.178585    0.00   0.000149732  -0.000027267  -0.000033501
 H     -0.790372     -1.727219     -1.672054    0.00   0.000036449  -0.000040742   0.000296482
 H      0.742800     -2.022937      0.688010    0.00   0.000056027   0.000049229   0.000122306
 O      0.731942     -1.283703     -0.021210    0.00   0.003057108  -0.002633162  -0.001071056
 O      1.883740     -0.552416      0.390647    0.00   0.002752204  -0.001775365  -0.001208957
 C      2.521744     -0.169903     -0.806493    0.00   0.001874672  -0.000267722  -0.000649152
 H      2.002943     -0.481609     -1.712507    0.00   0.000235356  -0.000087304  -0.000073095
 O      3.542789      0.446535     -0.653457    0.00   0.001014873   0.002010677  -0.000280534
26
 Energy =      -0.186742045007
 C     -0.209347      1.950600      0.708587    0.00  -0.000364544  -0.000338814   0.000339036
 C     -1.228238      2.192610     -0.408393    0.00   0.000129645   0.000163225  -0.000010115
 C     -1.352772      0.943060     -1.283970    0.00  -0.000414963   0.000041977   0.000238302
 C     -1.876442     -0.255495     -0.476929    0.00  -0.001733362   0.000586277   0.000177036
 C     -1.156416     -0.441124      0.860557    0.00  -0.002492110   0.000865318   0.000555609
 C     -0.599343      0.763341      1.590651    0.00  -0.001999850   0.000486784   0.000676188
 H     -2.032012      1.136684     -2.136090    0.00   0.000029039   0.000028880  -0.000022098
 H     -2.212097      2.462134      0.021122    0.00   0.000016555   0.000079371  -0.000032158
 H     -0.920448      3.059737     -1.022953    0.00   0.000078560  -0.000017380  -0.000009274
 H      0.794362      1.770443      0.272103    0.00  -0.000040310  -0.000144986   0.000056977
 H     -0.104995      2.858011      1.334752    0.00   0.000043776  -0.000015031  -0.000006935
 H     -2.949269     -0.061441     -0.205479    0.00  -0.000164137   0.000057961  -0.000100234
 H     -1.352714      1.072906      2.345739    0.00  -0.000172289   0.000124970   0.000014167
 H      0.285312      0.436525      2.182290    0.00  -0.000221565  -0.000014931   0.000104536
 H     -0.370214      0.696753     -1.730635    0.00  -0.000024906  -0.000072641   0.000082362
 O     -1.136133     -1.535614      1.410350    0.00  -0.002023698   0.000970353  -0.000126845
 C     -1.807875     -1.535856     -1.312202    0.00  -0.000227539   0.000022028   0.001124634
 H     -2.099397     -2.409921     -0.710668    0.00  -0.000142784   0.000039475   0.000083991
 H     -2.476335     -1.486619     -2.177484    0.00   0.000161681  -0.000036798  -0.000035110
 H     -0.791729     -1.726142     -1.680282    0.00   0.000048096  -0.000034736   0.000312533
 H      0.741139     -2.024033      0.684362    0.00   0.000063158   0.000048699   0.000129344
 O      0.726552     -1.279045     -0.019269    0.00   0.003230509  -0.002812466  -0.001176707
 O      1.878917     -0.549323      0.392799    0.00   0.002866814  -0.001827010  -0.001303363
 C      2.517358     -0.169313     -0.804954    0.00   0.001977460  -0.000234939  -0.000692049
 H      1.996413     -0.479251     -1.710406    0.00   0.000246470  -0.000084124  -0.000078633
 O      3.540930      0.442979     -0.652962    0.00   0.001130294   0.002118538  -0.000301194
26
 Energy =       -0.18648193488
 C     -0.208560      1.951362      0.707843    0.00  -0.000363450  -0.000369828   0.000351242
 C     -1.228518      2.192277     -0.408388    0.00   0.000130442   0.000145644   0.000005531
 C     -1.351887      0.942997     -1.284519    0.00  -0.000404524   0.000014290   0.000270851
 C     -1.872541     -0.256793     -0.477328    0.00  -0.001892792   0.000616801   0.000188989
 C     -1.150779     -0.443059      0.859290    0.00  -0.002740856   0.000940281   0.000616734
 C     -0.594990      0.762304      1.589166    0.00  -0.002038386   0.000478890   0.000704312
 H     -2.032889      1.135939     -2.135430    0.00   0.000041171   0.000028180  -0.000027643
 H     -2.212503      2.460100      0.021929    0.00   0.000016492   0.000078561  -0.000031161
 H     -0.922481      3.060190     -1.022716    0.00   0.000079345  -0.000019175  -0.000008371
 H      0.795352      1.774263      0.270660    0.00  -0.000040751  -0.000152135   0.000057107
 H     -0.106171      2.858389      1.334926    0.00   0.000047861  -0.000016776  -0.000007602
 H     -2.944793     -0.062969     -0.202755    0.00  -0.000180510   0.000059932  -0.000113908
 H     -1.348389      1.069634      2.345181    0.00  -0.000161815   0.000129738   0.000028008
 H      0.290950      0.437084      2.179725    0.00  -0.000219733  -0.000027921   0.000093863
 H     -0.369675      0.698749     -1.732918    0.00  -0.000019968  -0.000082456   0.000097252
 O     -1.132680     -1.537275      1.410539    0.00  -0.002251161   0.001074234  -0.000099341
 C     -1.807445     -1.535899     -1.314711    0.00  -0.000167821   0.000016281   0.001193696
 H     -2.095821     -2.410870     -0.712969    0.00  -0.000134195   0.000037868   0.000091292
 H     -2.480515     -1.485557     -2.176407    0.00   0.000173607  -0.000046786  -0.000036911
 H     -0.793307     -1.725303     -1.688440    0.00   0.000060362  -0.000027151   0.000328064
 H      0.739375     -2.025054      0.680763    0.00   0.000071432   0.000047559   0.000135888
 O      0.721185     -1.274357     -0.017261    0.00   0.003415969  -0.003004172  -0.001294976
 O      1.874189     -0.546328      0.394979    0.00   0.002981579  -0.001873473  -0.001397251
 C      2.512999     -0.168837     -0.803413    0.00   0.002083491  -0.000195316  -0.000733125
 H      1.989973     -0.477124     -1.708290    0.00   0.000257473  -0.000079965  -0.000083981
 O      3.538986      0.439455     -0.652456    0.00   0.001256737   0.002226896  -0.000328557
26
 Energy =      -0.186205706543
 C     -0.207822      1.952146      0.707119    0.00  -0.000361567  -0.000405236   0.000362782
 C     -1.228783      2.192002     -0.408415    0.00   0.000131548   0.000124339   0.000021428
 C     -1.351079      0.942999     -1.285105    0.00  -0.000389461  -0.000018425   0.000306211
 C     -1.868532     -0.258076     -0.477731    0.00  -0.002064290   0.000647508   0.000203195
 C     -1.144942     -0.445037      0.857963    0.00  -0.003012211   0.001019798   0.000686447
 C     -0.590813      0.761345      1.587707    0.00  -0.002077032   0.000469598   0.000735005
 H     -2.034023      1.135258     -2.134662    0.00   0.000054802   0.000027098  -0.000033895
 H     -2.212886      2.458210      0.022665    0.00   0.000016426   0.000077349  -0.000030196
 H     -0.924413      3.060666     -1.022515    0.00   0.000080105  -0.000021286  -0.000007454
 H      0.796299      1.778043      0.269299    0.00  -0.000041265  -0.000160091   0.000056986
 H     -0.107383      2.858790      1.335110    0.00   0.000052483  -0.000018777  -0.000008568
 H     -2.940161     -0.064457     -0.199848    0.00  -0.000198249   0.000062026  -0.000128687
 H     -1.344593      1.066432      2.344303    0.00  -0.000149487   0.000134961   0.000043458
 H      0.296208      0.437939      2.177588    0.00  -0.000217177  -0.000042190   0.000081593
 H     -0.369303      0.700879     -1.735445    0.00  -0.000014102  -0.000093350   0.000113660
 O     -1.129076     -1.539005      1.410671    0.00  -0.002486768   0.001187439  -0.000064000
 C     -1.807164     -1.535930     -1.317210    0.00  -0.000104707   0.000013128   0.001259010
 H     -2.092684     -2.411727     -0.715298    0.00  -0.000123945   0.000035938   0.000097928
 H     -2.484742     -1.484310     -2.175353    0.00   0.000185432  -0.000057114  -0.000038947
 H     -0.795088     -1.724716     -1.696493    0.00   0.000073173  -0.000017945   0.000342899
 H      0.737497     -2.025993      0.677238    0.00   0.000080999   0.000045683   0.000141633
 O      0.715839     -1.269640     -0.015180    0.00   0.003614085  -0.003208129  -0.001427135
 O      1.869561     -0.543443      0.397174    0.00   0.003096167  -0.001914096  -0.001489104
 C      2.508675     -0.168477     -0.801882    0.00   0.002192570  -0.000148751  -0.000771463
 H      1.983643     -0.475236     -1.706175    0.00   0.000268292  -0.000074852  -0.000089017
 O      3.536955      0.435973     -0.651932    0.00   0.001394178   0.002335378  -0.000363769
26
 Energy =      -0.185912275087
 C     -0.207131      1.952957      0.706416    0.00  -0.000359084  -0.000445354   0.000373331
 C     -1.229035      2.191788     -0.408471    0.00   0.000132891   0.000099381   0.000037274
 C     -1.350352      0.943068     -1.285727    0.00  -0.000369532  -0.000056025   0.000344012
 C     -1.864420     -0.259343     -0.478140    0.00  -0.002246917   0.000678128   0.000219769
 C     -1.138907     -0.447054      0.856572    0.00  -0.003307209   0.001103524   0.000765927
 C     -0.586807      0.760460      1.586273    0.00  -0.002115621   0.000458867   0.000768614
 H     -2.035414      1.134645     -2.133785    0.00   0.000069855   0.000025633  -0.000040846
 H     -2.213246      2.456464      0.023338    0.00   0.000016350   0.000075734  -0.000029299
 H     -0.926249      3.061166     -1.022348    0.00   0.000080838  -0.000023697  -0.000006527
 H      0.797206      1.781791      0.268023    0.00  -0.000041884  -0.000168930   0.000056556
 H     -0.108636      2.859218      1.335309    0.00   0.000057677  -0.000021048  -0.000009880
 H     -2.935376     -0.065909     -0.196764    0.00  -0.000217315   0.000064257  -0.000144605
 H     -1.341320      1.063292      2.343104    0.00  -0.000135203   0.000140700   0.000060662
 H      0.301088      0.439082      2.175873    0.00  -0.000213777  -0.000057745   0.000067662
 H     -0.369102      0.703145     -1.738211    0.00  -0.000007287  -0.000105259   0.000131461
 O     -1.125340     -1.540803      1.410738    0.00  -0.002730131   0.001309925  -0.000019578
 C     -1.807024     -1.535956     -1.319683    0.00  -0.000038597   0.000012797   0.001319423
 H     -2.089984     -2.412492     -0.717628    0.00  -0.000112102   0.000033677   0.000103710
 H     -2.488990     -1.482897     -2.174315    0.00   0.000197058  -0.000067644  -0.000041254
 H     -0.797053     -1.724392     -1.704403    0.00   0.000086440  -0.000007128   0.000356856
 H      0.735494     -2.026839      0.673815    0.00   0.000092045   0.000042943   0.000146225
 O      0.710513     -1.264897     -0.013023    0.00   0.003825469  -0.003423996  -0.001574428
 O      1.865041     -0.540672      0.399369    0.00   0.003210313  -0.001948240  -0.001577356
 C      2.504392     -0.168234     -0.800371    0.00   0.002304466  -0.000095261  -0.000806193
 H      1.977437     -0.473587     -1.704077    0.00   0.000278854  -0.000068832  -0.000093625
 O      3.534840      0.432540     -0.651382    0.00   0.001542402   0.002443594  -0.000407892
26
 Energy =      -0.185600527392
 C     -0.206486      1.953797      0.705736    0.00  -0.000356215  -0.000490401   0.000382539
 C     -1.229276      2.191634     -0.408553    0.00   0.000134399   0.000070985   0.000052747
 C     -1.349708      0.943205     -1.286383    0.00  -0.000344557  -0.000098195   0.000383775
 C     -1.860212     -0.260591     -0.478556    0.00  -0.002439193   0.000708332   0.000238713
 C     -1.132674     -0.449105      0.855110    0.00  -0.003626831   0.001190987   0.000856479
 C     -0.582967      0.759649      1.584861    0.00  -0.002154060   0.000446721   0.000805531
 H     -2.037057      1.134101     -2.132799    0.00   0.000086201   0.000023798  -0.000048467
 H     -2.213585      2.454858      0.023953    0.00   0.000016250   0.000073727  -0.000028507
 H     -0.927992      3.061693     -1.022211    0.00   0.000081551  -0.000026376  -0.000005596
 H      0.798075      1.785518      0.266835    0.00  -0.000042634  -0.000178704   0.000055762
 H     -0.109933      2.859673      1.335528    0.00   0.000063464  -0.000023593  -0.000011584
 H     -2.930446     -0.067325     -0.193510    0.00  -0.000237625   0.000066634  -0.000161670
 H     -1.338565      1.060206      2.341585    0.00  -0.000118853   0.000147048   0.000079772
 H      0.305597      0.440504      2.174574    0.00  -0.000209411  -0.000074604   0.000052008
 H     -0.369073      0.705544     -1.741206    0.00   0.000000473  -0.000118078   0.000150478
 O     -1.121490     -1.542667      1.410735    0.00  -0.002980999   0.001441384   0.000035093
 C     -1.807013     -1.535981     -1.322114    0.00   0.000030005   0.000015386   0.001373861
 H     -2.087714     -2.413165     -0.719929    0.00  -0.000098768   0.000031077   0.000108473
 H     -2.493239     -1.481339     -2.173292    0.00   0.000208378  -0.000078232  -0.000043848
 H     -0.799184     -1.724336     -1.712138    0.00   0.000100054   0.000005243   0.000369755
 H      0.733354     -2.027581      0.670525    0.00   0.000104749   0.000039209   0.000149261
 O      0.705206     -1.260134     -0.010783    0.00   0.004050858  -0.003651280  -0.001738089
 O      1.860633     -0.538023      0.401552    0.00   0.003323859  -0.001975191  -0.001660438
 C      2.500155     -0.168109     -0.798890    0.00   0.002418844  -0.000034998  -0.000836538
 H      1.971371     -0.472174     -1.702010    0.00   0.000289082  -0.000061979  -0.000097693
 O      3.532643      0.429163     -0.650798    0.00   0.001700980   0.002551104  -0.000461819
26
 Energy =      -0.185269327851
 C     -0.205884      1.954668      0.705082    0.00  -0.000353179  -0.000540446   0.000390038
 C     -1.229504      2.191540     -0.408655    0.00   0.000136009   0.000039521   0.000067507
 C     -1.349149      0.943408     -1.287069    0.00  -0.000314395  -0.000144451   0.000424941
 C     -1.855920     -0.261815     -0.478982    0.00  -0.002639212   0.000737760   0.000259996
 C     -1.126244     -0.451186      0.853569    0.00  -0.003972030   0.001281557   0.000959582
 C     -0.579288      0.758906      1.583466    0.00  -0.002192202   0.000433224   0.000846085
 H     -2.038941      1.133630     -2.131708    0.00   0.000103660   0.000021612  -0.000056696
 H     -2.213902      2.453392      0.024518    0.00   0.000016117   0.000071347  -0.000027855
 H     -0.929646      3.062246     -1.022102    0.00   0.000082239  -0.000029277  -0.000004665
 H      0.798912      1.789233      0.265736    0.00  -0.000043540  -0.000189447   0.000054553
 H     -0.111277      2.860155      1.335773    0.00   0.000069858  -0.000026411  -0.000013716
 H     -2.925380     -0.068708     -0.190093    0.00  -0.000259068   0.000069171  -0.000179908
 H     -1.336319      1.057164      2.339746    0.00  -0.000100353   0.000154097   0.000100927
 H      0.309738      0.442196      2.173682    0.00  -0.000203948  -0.000092743   0.000034582
 H     -0.369215      0.708068     -1.744418    0.00   0.000009150  -0.000131657   0.000170469
 O     -1.117544     -1.544595      1.410656    0.00  -0.003239264   0.001581233   0.000101058
 C     -1.807121     -1.536011     -1.324488    0.00   0.000100528   0.000020839   0.001421361
 H     -2.085862     -2.413746     -0.722176    0.00  -0.000084090   0.000028133   0.000112075
 H     -2.497466     -1.479659     -2.172280    0.00   0.000219270  -0.000088722  -0.000046726
 H     -0.801459     -1.724549     -1.719670    0.00   0.000113888   0.000019047   0.000381413
 H      0.731065     -2.028210      0.667401    0.00   0.000119331   0.000034353   0.000150286
 O      0.699915     -1.255354     -0.008457    0.00   0.004291061  -0.003889268  -0.001919268
 O      1.856339     -0.535500      0.403707    0.00   0.003436781  -0.001994238  -0.001736824
 C      2.495970     -0.168099     -0.797449    0.00   0.002535274   0.000031748  -0.000861862
 H      1.965457     -0.470991     -1.699992    0.00   0.000298895  -0.000054385  -0.000101123
 O      3.530369      0.425850     -0.650173    0.00   0.001869222   0.002657404  -0.000526230
26
 Energy =      -0.184917524907
 C     -0.205322      1.955571      0.704456    0.00  -0.000350167  -0.000595389   0.000395440
 C     -1.229722      2.191504     -0.408774    0.00   0.000137675   0.000005498   0.000081211
 C     -1.348674      0.943676     -1.287781    0.00  -0.000278965  -0.000194143   0.000466890
 C     -1.851556     -0.263014     -0.479419    0.00  -0.002844566   0.000765996   0.000283501
 C     -1.119619     -0.453290      0.851943    0.00  -0.004343749   0.001374460   0.001076879
 C     -0.575764      0.758229      1.582086    0.00  -0.002229924   0.000418519   0.000890552
 H     -2.041053      1.133229     -2.130517    0.00   0.000122001   0.000019108  -0.000065439
 H     -2.214199      2.452060      0.025039    0.00   0.000015941   0.000068620  -0.000027366
 H     -0.931216      3.062824     -1.022017    0.00   0.000082895  -0.000032337  -0.000003744
 H      0.799720      1.792943      0.264728    0.00  -0.000044621  -0.000201160   0.000052882
 H     -0.112668      2.860666      1.336048    0.00   0.000076854  -0.000029489  -0.000016305
 H     -2.920191     -0.070061     -0.186520    0.00  -0.000281493   0.000071881  -0.000199335
 H     -1.334573      1.054157      2.337588    0.00  -0.000079638   0.000161965   0.000124249
 H      0.313517      0.444145      2.173186    0.00  -0.000197256  -0.000112122   0.000015346
 H     -0.369525      0.710709     -1.747826    0.00   0.000018688  -0.000145805   0.000191135
 O     -1.113515     -1.546582      1.410496    0.00  -0.003504989   0.001728572   0.000179213
 C     -1.807336     -1.536050     -1.326792    0.00   0.000172331   0.000028956   0.001461090
 H     -2.084409     -2.414237     -0.724344    0.00  -0.000068257   0.000024839   0.000114404
 H     -2.501650     -1.477880     -2.171274    0.00   0.000229600  -0.000098950  -0.000049868
 H     -0.803859     -1.725025     -1.726970    0.00   0.000127797   0.000034108   0.000391648
 H      0.728613     -2.028715      0.664478    0.00   0.000136028   0.000028250   0.000148794
 O      0.694637     -1.250562     -0.006041    0.00   0.004547055  -0.004137055  -0.002119040
 O      1.852163     -0.533107      0.405824    0.00   0.003549214  -0.002004604  -0.001805062
 C      2.491843     -0.168202     -0.796056    0.00   0.002653186   0.000104554  -0.000881733
 H      1.959706     -0.470029     -1.698034    0.00   0.000308205  -0.000046158  -0.000103834
 O      3.528022      0.422606     -0.649501    0.00   0.002046155   0.002761886  -0.000601508
26
 Energy =       -0.18454395812
 C     -0.204798      1.956508      0.703860    0.00  -0.000347325  -0.000654915   0.000398331
 C     -1.229930      2.191522     -0.408905    0.00   0.000139362  -0.000030448   0.000093529
 C     -1.348284      0.944004     -1.288516    0.00  -0.000238229  -0.000246477   0.000508950
 C     -1.847137     -0.264184     -0.479867    0.00  -0.003052368   0.000792568   0.000309065
 C     -1.112802     -0.455412      0.850224    0.00  -0.004742939   0.001468754   0.001210193
 C     -0.572389      0.757615      1.580717    0.00  -0.002267084   0.000402818   0.000939115
 H     -2.043373      1.132898     -2.129233    0.00   0.000140939   0.000016320  -0.000074564
 H     -2.214476      2.450858      0.025523    0.00   0.000015717   0.000065574  -0.000027060
 H     -0.932705      3.063425     -1.021954    0.00   0.000083495  -0.000035481  -0.000002835
 H      0.800503      1.796654      0.263812    0.00  -0.000045882  -0.000213808   0.000050711
 H     -0.114109      2.861204      1.336358    0.00   0.000084434  -0.000032799  -0.000019371
 H     -2.914891     -0.071385     -0.182799    0.00  -0.000304718   0.000074778  -0.000219977
 H     -1.333313      1.051174      2.335115    0.00  -0.000056670   0.000170788   0.000149836
 H      0.316939      0.446338      2.173076    0.00  -0.000189206  -0.000132670  -0.000005721
 H     -0.369998      0.713453     -1.751407    0.00   0.000029003  -0.000160286   0.000212123
 O     -1.109417     -1.548624      1.410250    0.00  -0.003778426   0.001882204   0.000270276
 C     -1.807647     -1.536101     -1.329015    0.00   0.000244713   0.000039389   0.001492334
 H     -2.083334     -2.414640     -0.726414    0.00  -0.000051490   0.000021196   0.000115381
 H     -2.505774     -1.476024     -2.170275    0.00   0.000239219  -0.000108744  -0.000053224
 H     -0.806361     -1.725753     -1.734015    0.00   0.000141616   0.000050194   0.000400271
 H      0.725986     -2.029087      0.661793    0.00   0.000155108   0.000020780   0.000144224
 O      0.689369     -1.245765     -0.003531    0.00   0.004820008  -0.004393529  -0.002338376
 O      1.848103     -0.530847      0.407888    0.00   0.003661478  -0.002005446  -0.001863816
 C      2.487778     -0.168413     -0.794720    0.00   0.002771847   0.000182839  -0.000895946
 H      1.954127     -0.469275     -1.696151    0.00   0.000316915  -0.000037425  -0.000105764
 O      3.525609      0.419434     -0.648778    0.00   0.002230483   0.002863828  -0.000687687
26
 Energy =      -0.184147465182
 C     -0.204307      1.957478      0.703297    0.00  -0.000344718  -0.000718487   0.000398288
 C     -1.230128      2.191591     -0.409046    0.00   0.000141058  -0.000067569   0.000104151
 C     -1.347978      0.944389     -1.289267    0.00  -0.000192210  -0.000300542   0.000550431
 C     -1.842679     -0.265322     -0.480327    0.00  -0.003259278   0.000816949   0.000336445
 C     -1.105794     -0.457544      0.848404    0.00  -0.005170562   0.001563326   0.001361522
 C     -0.569158      0.757059      1.579356    0.00  -0.002303533   0.000386416   0.000991838
 H     -2.045879      1.132635     -2.127866    0.00   0.000160148   0.000013288  -0.000083901
 H     -2.214733      2.449779      0.025976    0.00   0.000015443   0.000062237  -0.000026939
 H     -0.934118      3.064045     -1.021910    0.00   0.000084003  -0.000038618  -0.000001946
 H      0.801263      1.800371      0.262990    0.00  -0.000047316  -0.000227311   0.000048010
 H     -0.115599      2.861768      1.336705    0.00   0.000092554  -0.000036302  -0.000022920
 H     -2.909499     -0.072684     -0.178936    0.00  -0.000328521   0.000077874  -0.000241856
 H     -1.332526      1.048204      2.332329    0.00  -0.000031442   0.000180726   0.000177753
 H      0.320010      0.448760      2.173339    0.00  -0.000179678  -0.000154287  -0.000028619
 H     -0.370625      0.716283     -1.755133    0.00   0.000039978  -0.000174830   0.000233030
 O     -1.105263     -1.550713      1.409916    0.00  -0.004060034   0.002040630   0.000374776
 C     -1.808043     -1.536164     -1.331148    0.00   0.000316923   0.000051669   0.001514526
 H     -2.082609     -2.414956     -0.728366    0.00  -0.000034040   0.000017208   0.000114957
 H     -2.509817     -1.474115     -2.169281    0.00   0.000247971  -0.000117924  -0.000056727
 H     -0.808943     -1.726717     -1.740785    0.00   0.000155160   0.000067022   0.000407095
 H      0.723167     -2.029317      0.659386    0.00   0.000176872   0.000011822   0.000135951
 O      0.684107     -1.240967     -0.000923    0.00   0.005111324  -0.004657374  -0.002578130
 O      1.844159     -0.528722      0.409891    0.00   0.003774094  -0.001995838  -0.001911876
 C      2.483779     -0.168726     -0.793444    0.00   0.002890336   0.000265890  -0.000904595
 H      1.948728     -0.468716     -1.694352    0.00   0.000324920  -0.000028327  -0.000106873
 O      3.523138      0.416340     -0.647999    0.00   0.002420550   0.002962354  -0.000784391
26
 Energy =      -0.183726888147
 C     -0.203848      1.958479      0.702768    0.00  -0.000342331  -0.000785328   0.000394866
 C     -1.230317      2.191706     -0.409191    0.00   0.000142770  -0.000105044   0.000112804
 C     -1.347754      0.944825     -1.290029    0.00  -0.000140988  -0.000355326   0.000590636
 C     -1.838204     -0.266426     -0.480798    0.00  -0.003461536   0.000838556   0.000365346
 C     -1.098598     -0.459678      0.846472    0.00  -0.005627589   0.001656888   0.001533035
 C     -0.566064      0.756556      1.578001    0.00  -0.002339081   0.000369690   0.001048635
 H     -2.048545      1.132437     -2.126427    0.00   0.000179257   0.000010050  -0.000093241
 H     -2.214972      2.448817      0.026402    0.00   0.000015119   0.000058634  -0.000026994
 H     -0.935456      3.064679     -1.021883    0.00   0.000084367  -0.000041651  -0.000001082
 H      0.802005      1.804095      0.262262    0.00  -0.000048902  -0.000241537   0.000044762
 H     -0.117136      2.862358      1.337092    0.00   0.000101148  -0.000039947  -0.000026943
 H     -2.904032     -0.073959     -0.174939    0.00  -0.000352655   0.000081179  -0.000264991
 H     -1.332197      1.045233      2.329236    0.00  -0.000003988   0.000191959   0.000208018
 H      0.322736      0.451395      2.173961    0.00  -0.000168560  -0.000176841  -0.000053321
 H     -0.371396      0.719181     -1.758973    0.00   0.000051464  -0.000189133   0.000253412
 O     -1.101060     -1.552844      1.409489    0.00  -0.004350485   0.002202095   0.000493033
 C     -1.808512     -1.536241     -1.333181    0.00   0.000388180   0.000065219   0.001527223
 H     -2.082207     -2.415189     -0.730187    0.00  -0.000016186   0.000012888   0.000113115
 H     -2.513764     -1.472175     -2.168292    0.00   0.000255687  -0.000126299  -0.000060282
 H     -0.811584     -1.727898     -1.747262    0.00   0.000168224   0.000084264   0.000411933
 H      0.720143     -2.029398      0.657295    0.00   0.000201656   0.000001256   0.000123294
 O      0.678844     -1.236177      0.001784    0.00   0.005422679  -0.004927069  -0.002839032
 O      1.840328     -0.526733      0.411821    0.00   0.003887800  -0.001974750  -0.001948202
 C      2.479851     -0.169135     -0.792234    0.00   0.003007520   0.000352838  -0.000908066
 H      1.943517     -0.468336     -1.692647    0.00   0.000332098  -0.000019017  -0.000107152
 O      3.520617      0.413327     -0.647162    0.00   0.002614332   0.003056426  -0.000890805
26
 Energy =      -0.183281078201
 C     -0.203418      1.959509      0.702276    0.00  -0.000340039  -0.000854436   0.000387620
 C     -1.230497      2.191862     -0.409337    0.00   0.000144514  -0.000142002   0.000119259
 C     -1.347611      0.945305     -1.290798    0.00  -0.000084705  -0.000409759   0.000628883
 C     -1.833733     -0.267492     -0.481279    0.00  -0.003655022   0.000856755   0.000395405
 C     -1.091215     -0.461807      0.844420    0.00  -0.006114983   0.001747968   0.001727064
 C     -0.563101      0.756103      1.576649    0.00  -0.002373474   0.000353085   0.001109238
 H     -2.051342      1.132299     -2.124930    0.00   0.000197864   0.000006641  -0.000102339
 H     -2.215192      2.447966      0.026807    0.00   0.000014748   0.000054785  -0.000027200
 H     -0.936723      3.065321     -1.021870    0.00   0.000084518  -0.000044475  -0.000000249
 H      0.802730      1.807826      0.261628    0.00  -0.000050600  -0.000256294   0.000040965
 H     -0.118718      2.862969      1.337521    0.00   0.000110118  -0.000043669  -0.000031415
 H     -2.898509     -0.075213     -0.170813    0.00  -0.000376843   0.000084703  -0.000289404
 H     -1.332307      1.042249      2.325841    0.00   0.000025608   0.000204686   0.000240591
 H      0.325122      0.454226      2.174926    0.00  -0.000155764  -0.000200164  -0.000079765
 H     -0.372298      0.722125     -1.762894    0.00   0.000063282  -0.000202860   0.000272791
 O     -1.096817     -1.555008      1.408969    0.00  -0.004650662   0.002364636   0.000625165
 C     -1.809042     -1.536331     -1.335108    0.00   0.000457681   0.000079405   0.001530126
 H     -2.082096     -2.415343     -0.731866    0.00   0.000001780   0.000008255   0.000109869
 H     -2.517598     -1.470227     -2.167311    0.00   0.000262194  -0.000133675  -0.000063777
 H     -0.814261     -1.729273     -1.753431    0.00   0.000180584   0.000101553   0.000414593
 H      0.716895     -2.029322      0.655564    0.00   0.000229838  -0.000011039   0.000105487
 O      0.673576     -1.231400      0.004594    0.00   0.005756041  -0.005200898  -0.003121648
 O      1.836606     -0.524883      0.413670    0.00   0.004003550  -0.001941046  -0.001971918
 C      2.475999     -0.169633     -0.791091    0.00   0.003122055   0.000442678  -0.000907098
 H      1.938499     -0.468118     -1.691040    0.00   0.000338318  -0.000009652  -0.000106615
 O      3.518056      0.410399     -0.646269    0.00   0.002809399   0.003144820  -0.001005628
26
 Energy =      -0.182808898009
 C     -0.203015      1.960565      0.701822    0.00  -0.000337607  -0.000924588   0.000376106
 C     -1.230669      2.192051     -0.409482    0.00   0.000146313  -0.000177563   0.000123342
 C     -1.347545      0.945821     -1.291568    0.00  -0.000023574  -0.000462736   0.000664520
 C     -1.829290     -0.268518     -0.481769    0.00  -0.003835293   0.000870885   0.000426206
 C     -1.083647     -0.463922      0.842238    0.00  -0.006633666   0.001834896   0.001946067
 C     -0.560264      0.755695      1.575300    0.00  -0.002406379   0.000337094   0.001173184
 H     -2.054241      1.132218     -2.123392    0.00   0.000215540   0.000003091  -0.000110918
 H     -2.215395      2.447218      0.027193    0.00   0.000014337   0.000050705  -0.000027517
 H     -0.937918      3.065965     -1.021870    0.00   0.000084373  -0.000046982   0.000000544
 H      0.803440      1.811559      0.261086    0.00  -0.000052351  -0.000271332   0.000036633
 H     -0.120340      2.863599      1.337992    0.00   0.000119330  -0.000047396  -0.000036291
 H     -2.892952     -0.076449     -0.166564    0.00  -0.000400784   0.000088454  -0.000315107
 H     -1.332838      1.039238      2.322154    0.00   0.000057206   0.000219122   0.000275365
 H      0.327177      0.457234      2.176220    0.00  -0.000141225  -0.000224050  -0.000107843
 H     -0.373319      0.725092     -1.766860    0.00   0.000075221  -0.000215658   0.000290668
 O     -1.092539     -1.557196      1.408354    0.00  -0.004961667   0.002526168   0.000771079
 C     -1.809625     -1.536433     -1.336925    0.00   0.000524611   0.000093538   0.001523054
 H     -2.082245     -2.415421     -0.733395    0.00   0.000019549   0.000003345   0.000105261
 H     -2.521303     -1.468291     -2.166341    0.00   0.000267315  -0.000139852  -0.000067077
 H     -0.816953     -1.730814     -1.759277    0.00   0.000192003   0.000118496   0.000414894
 H      0.713405     -2.029082      0.654236    0.00   0.000261851  -0.000025200   0.000081684
 O      0.668294     -1.226644      0.007507    0.00   0.006113669  -0.005476959  -0.003426374
 O      1.832987     -0.523173      0.415431    0.00   0.004122519  -0.001893468  -0.001982333
 C      2.472229     -0.170211     -0.790015    0.00   0.003232349   0.000534268  -0.000902761
 H      1.933681     -0.468045     -1.689538    0.00   0.000343431  -0.000000402  -0.000105310
 O      3.515464      0.407559     -0.645320    0.00   0.003002931   0.003226125  -0.001127077
26
 Energy =      -0.182309221007
 C     -0.202637      1.961641      0.701409    0.00  -0.000334708  -0.000994380   0.000359897
 C     -1.230834      2.192269     -0.409622    0.00   0.000148184  -0.000210862   0.000124945
 C     -1.347554      0.946368     -1.292334    0.00   0.000042110  -0.000513150   0.000696923
 C     -1.824898     -0.269500     -0.482267    0.00  -0.003997673   0.000880259   0.000457275
 C     -1.075895     -0.466013      0.839914    0.00  -0.007184467   0.001915804   0.002192609
 C     -0.557548      0.755326      1.573952    0.00  -0.002437335   0.000322242   0.001239790
 H     -2.057207      1.132191     -2.121829    0.00   0.000231841  -0.000000578  -0.000118673
 H     -2.215581      2.446568      0.027562    0.00   0.000013894   0.000046401  -0.000027890
 H     -0.939044      3.066606     -1.021880    0.00   0.000083838  -0.000049067   0.000001293
 H      0.804135      1.815288      0.260635    0.00  -0.000054078  -0.000286332   0.000031796
 H     -0.121997      2.864244      1.338505    0.00   0.000128616  -0.000051050  -0.000041503
 H     -2.887382     -0.077669     -0.162198    0.00  -0.000424158   0.000092438  -0.000342104
 H     -1.333768      1.036186      2.318187    0.00   0.000090600   0.000235485   0.000312143
 H      0.328906      0.460398      2.177823    0.00  -0.000124911  -0.000248252  -0.000137391
 H     -0.374441      0.728059     -1.770834    0.00   0.000087047  -0.000227158   0.000306535
 O     -1.088229     -1.559398      1.407645    0.00  -0.005284803   0.002684566   0.000930470
 C     -1.810248     -1.536545     -1.338628    0.00   0.000588159   0.000106939   0.001505957
 H     -2.082620     -2.415428     -0.734769    0.00   0.000036810  -0.000001798   0.000099361
 H     -2.524867     -1.466388     -2.165387    0.00   0.000270871  -0.000144624  -0.000070031
 H     -0.819637     -1.732494     -1.764791    0.00   0.000202226   0.000134679   0.000412656
 H      0.709654     -2.028672      0.653357    0.00   0.000298186  -0.000041376   0.000050933
 O      0.662991     -1.221916      0.010525    0.00   0.006498116  -0.005753193  -0.003753371
 O      1.829465     -0.521602      0.417099    0.00   0.004246070  -0.001830637  -0.001978940
 C      2.468544     -0.170860     -0.789004    0.00   0.003336598   0.000626339  -0.000896496
 H      1.929067     -0.468098     -1.688140    0.00   0.000347272   0.000008565  -0.000103314
 O      3.512854      0.404810     -0.644319    0.00   0.003191696   0.003298742  -0.001252867
26
 Energy =      -0.181780926917
 C     -0.202283      1.962732      0.701038    0.00  -0.000330909  -0.001062261   0.000338599
 C     -1.230992      2.192509     -0.409755    0.00   0.000150124  -0.000241095   0.000124019
 C     -1.347635      0.946936     -1.293091    0.00   0.000111951  -0.000559909   0.000725524
 C     -1.820584     -0.270437     -0.482770    0.00  -0.004137311   0.000884192   0.000488086
 C     -1.067962     -0.468073      0.837439    0.00  -0.007768048   0.001988617   0.002469327
 C     -0.554947      0.754992      1.572606    0.00  -0.002465735   0.000309046   0.001308125
 H     -2.060209      1.132212     -2.120261    0.00   0.000246316  -0.000004355  -0.000125285
 H     -2.215752      2.446008      0.027917    0.00   0.000013431   0.000041882  -0.000028254
 H     -0.940099      3.067235     -1.021900    0.00   0.000082810  -0.000050630   0.000001991
 H      0.804813      1.819002      0.260272    0.00  -0.000055688  -0.000300912   0.000026506
 H     -0.123681      2.864900      1.339057    0.00   0.000137758  -0.000054554  -0.000046961
 H     -2.881822     -0.078875     -0.157720    0.00  -0.000446625   0.000096663  -0.000370386
 H     -1.335074      1.033076      2.313954    0.00   0.000125514   0.000253995   0.000350637
 H      0.330320      0.463698      2.179717    0.00  -0.000106832  -0.000272484  -0.000168179
 H     -0.375649      0.731000     -1.774778    0.00   0.000098503  -0.000236985   0.000319885
 O     -1.083891     -1.561606      1.406843    0.00  -0.005621560   0.002837798   0.001102810
 C     -1.810903     -1.536664     -1.340216    0.00   0.000647522   0.000118948   0.001478899
 H     -2.083188     -2.415368     -0.735985    0.00   0.000053249  -0.000007112   0.000092267
 H     -2.528275     -1.464537     -2.164455    0.00   0.000272687  -0.000147789  -0.000072477
 H     -0.822292     -1.734281     -1.769962    0.00   0.000210995   0.000149679   0.000407710
 H      0.705618     -2.028084      0.652977    0.00   0.000339412  -0.000059756   0.000012160
 O      0.657657     -1.217224      0.013647    0.00   0.006912171  -0.006027397  -0.004102520
 O      1.826034     -0.520174      0.418668    0.00   0.004375743  -0.001751054  -0.001961436
 C      2.464953     -0.171572     -0.788055    0.00   0.003432766   0.000717516  -0.000890073
 H      1.924663     -0.468259     -1.686848    0.00   0.000349665   0.000017080  -0.000100734
 O      3.510239      0.402157     -0.643271    0.00   0.003372091   0.003360881  -0.001380240
26
 Energy =      -0.181222892842
 C     -0.201952      1.963831      0.700712    0.00  -0.000325713  -0.001126591   0.000311864
 C     -1.231144      2.192765     -0.409878    0.00   0.000152103  -0.000267534   0.000120600
 C     -1.347783      0.947519     -1.293833    0.00   0.000185444  -0.000601975   0.000749802
 C     -1.816374     -0.271324     -0.483277    0.00  -0.004249267   0.000882025   0.000518048
 C     -1.059848     -0.470090      0.834801    0.00  -0.008384829   0.002051036   0.002778885
 C     -0.552458      0.754688      1.571263    0.00  -0.002490778   0.000297999   0.001377017
 H     -2.063212      1.132278     -2.118707    0.00   0.000258515  -0.000008237  -0.000130423
 H     -2.215908      2.445534      0.028256    0.00   0.000012957   0.000037153  -0.000028538
 H     -0.941081      3.067846     -1.021926    0.00   0.000081187  -0.000051587   0.000002633
 H      0.805474      1.822688      0.259994    0.00  -0.000057073  -0.000314626   0.000020830
 H     -0.125382      2.865561      1.339646    0.00   0.000146499  -0.000057835  -0.000052543
 H     -2.876295     -0.080068     -0.153136    0.00  -0.000467833   0.000101128  -0.000399916
 H     -1.336730      1.029896      2.309473    0.00   0.000161588   0.000274861   0.000390444
 H      0.331428      0.467112      2.181882    0.00  -0.000087054  -0.000296414  -0.000199903
 H     -0.376924      0.733890     -1.778655    0.00   0.000109318  -0.000244764   0.000330230
 O     -1.079525     -1.563810      1.405949    0.00  -0.005973579   0.002984054   0.001287330
 C     -1.811581     -1.536789     -1.341686    0.00   0.000701917   0.000128968   0.001442052
 H     -2.083916     -2.415247     -0.737045    0.00   0.000068560  -0.000012517   0.000084103
 H     -2.531515     -1.462758     -2.163550    0.00   0.000272592  -0.000149155  -0.000074243
 H     -0.824897     -1.736144     -1.774783    0.00   0.000218045   0.000163074   0.000399903
 H      0.701275     -2.027312      0.653147    0.00   0.000386194  -0.000080570  -0.000035869
 O      0.652283     -1.212575      0.016874    0.00   0.007358798  -0.006297285  -0.004473310
 O      1.822685     -0.518888      0.420135    0.00   0.004513213  -0.001653097  -0.001929722
 C      2.461461     -0.172336     -0.787163    0.00   0.003518626   0.000806315  -0.000885596
 H      1.920474     -0.468510     -1.685659    0.00   0.000350416   0.000024982  -0.000097708
 O      3.507632      0.399603     -0.642184    0.00   0.003540156   0.003410592  -0.001505969
26
 Energy =      -0.180633979765
 C     -0.201644      1.964931      0.700430    0.00  -0.000318570  -0.001185701   0.000279419
 C     -1.231289      2.193030     -0.409991    0.00   0.000154032  -0.000289569   0.000114797
 C     -1.347995      0.948109     -1.294558    0.00   0.000261947  -0.000638371   0.000769295
 C     -1.812292     -0.272160     -0.483785    0.00  -0.004328619   0.000873148   0.000546510
 C     -1.051556     -0.472053      0.831990    0.00  -0.009034879   0.002100525   0.003123954
 C     -0.550078      0.754410      1.569925    0.00  -0.002511450   0.000289523   0.001445018
 H     -2.066182      1.132386     -2.117188    0.00   0.000268010  -0.000012229  -0.000133762
 H     -2.216051      2.445139      0.028580    0.00   0.000012483   0.000032227  -0.000028668
 H     -0.941990      3.068432     -1.021958    0.00   0.000078875  -0.000051865   0.000003216
 H      0.806115      1.826328      0.259797    0.00  -0.000058114  -0.000326966   0.000014857
 H     -0.127089      2.866224      1.340268    0.00   0.000154530  -0.000060835  -0.000058101
 H     -2.870825     -0.081252     -0.148452    0.00  -0.000487420   0.000105838  -0.000430632
 H     -1.338708      1.026630      2.304767    0.00   0.000198382   0.000298268   0.000431034
 H      0.332240      0.470615      2.184293    0.00  -0.000065700  -0.000319673  -0.000232174
 H     -0.378247      0.736703     -1.782428    0.00   0.000119208  -0.000250129   0.000337112
 O     -1.075130     -1.566001      1.404966    0.00  -0.006342597   0.003121935   0.001482975
 C     -1.812272     -1.536915     -1.343039    0.00   0.000750583   0.000136485   0.001395693
 H     -2.084772     -2.415072     -0.737951    0.00   0.000082449  -0.000017915   0.000075018
 H     -2.534575     -1.461067     -2.162681    0.00   0.000270425  -0.000148540  -0.000075155
 H     -0.827431     -1.738051     -1.779247    0.00   0.000223111   0.000174455   0.000389104
 H      0.696597     -2.026347      0.653923    0.00   0.000439318  -0.000104130  -0.000094575
 O      0.646860     -1.207979      0.020203    0.00   0.007841021  -0.006560521  -0.004864720
 O      1.819410     -0.517746      0.421497    0.00   0.004660238  -0.001535041  -0.001883942
 C      2.458077     -0.173144     -0.786319    0.00   0.003591778   0.000891178  -0.000885448
 H      1.916506     -0.468834     -1.684569    0.00   0.000349330   0.000032120  -0.000094404
 O      3.505047      0.397152     -0.641065    0.00   0.003691628   0.003445786  -0.001626423
26
 Energy =      -0.180013014129
 C     -0.201360      1.966025      0.700195    0.00  -0.000308922  -0.001237971   0.000241086
 C     -1.231429      2.193300     -0.410091    0.00   0.000155769  -0.000306717   0.000106812
 C     -1.348267      0.948699     -1.295260    0.00   0.000340659  -0.000668224   0.000783604
 C     -1.808367     -0.272941     -0.484291    0.00  -0.004370552   0.000857036   0.000572749
 C     -1.043091     -0.473952      0.828995    0.00  -0.009717825   0.002134319   0.003507179
 C     -0.547805      0.754152      1.568597    0.00  -0.002526472   0.000283926   0.001510379
 H     -2.069087      1.132533     -2.115724    0.00   0.000274395  -0.000016344  -0.000134996
 H     -2.216181      2.444819      0.028888    0.00   0.000012017   0.000027125  -0.000028569
 H     -0.942823      3.068987     -1.021995    0.00   0.000075799  -0.000051415   0.000003736
 H      0.806732      1.829904      0.259674    0.00  -0.000058685  -0.000337368   0.000008693
 H     -0.128789      2.866884      1.340916    0.00   0.000161500  -0.000063513  -0.000063450
 H     -2.865437     -0.082425     -0.143674    0.00  -0.000505013   0.000110788  -0.000462430
 H     -1.340976      1.023266      2.299863    0.00   0.000235364   0.000324363   0.000471744
 H      0.332770      0.474181      2.186925    0.00  -0.000042972  -0.000341845  -0.000264507
 H     -0.379600      0.739414     -1.786061    0.00   0.000127894  -0.000252735   0.000340128
 O     -1.070707     -1.568169      1.403899    0.00  -0.006730374   0.003250642   0.001688334
 C     -1.812969     -1.537040     -1.344276    0.00   0.000792780   0.000141095   0.001340186
 H     -2.085724     -2.414847     -0.738709    0.00   0.000094637  -0.000023190   0.000065188
 H     -2.537446     -1.459482     -2.161855    0.00   0.000266040  -0.000145794  -0.000075043
 H     -0.829872     -1.739971     -1.783349    0.00   0.000225944   0.000183433   0.000375210
 H      0.691554     -2.025181      0.655366    0.00   0.000499740  -0.000130851  -0.000165633
 O      0.641376     -1.203444      0.023631    0.00   0.008361747  -0.006814817  -0.005275035
 O      1.816201     -0.516750      0.422754    0.00   0.004818627  -0.001395058  -0.001824526
 C      2.454807     -0.173984     -0.785517    0.00   0.003649681   0.000970476  -0.000892211
 H      1.912766     -0.469213     -1.683572    0.00   0.000346202   0.000038361  -0.000091016
 O      3.502499      0.394810     -0.639925    0.00   0.003822020   0.003464276  -0.001737612
26
 Energy =      -0.179358764642
 C     -0.201101      1.967105      0.700007    0.00  -0.000296232  -0.001281896   0.000196820
 C     -1.231563      2.193568     -0.410179    0.00   0.000157102  -0.000318655   0.000096929
 C     -1.348592      0.949281     -1.295936    0.00   0.000420585  -0.000690770   0.000792403
 C     -1.804623     -0.273665     -0.484792    0.00  -0.004370480   0.000833278   0.000595957
 C     -1.034458     -0.475774      0.825806    0.00  -0.010432753   0.002149382   0.003931164
 C     -0.545638      0.753910      1.567283    0.00  -0.002534283   0.000281359   0.001571039
 H     -2.071893      1.132716     -2.114336    0.00   0.000277310  -0.000020597  -0.000133851
 H     -2.216301      2.444568      0.029178    0.00   0.000011562   0.000021887  -0.000028176
 H     -0.943578      3.069506     -1.022034    0.00   0.000071906  -0.000050212   0.000004195
 H      0.807321      1.833391      0.259621    0.00  -0.000058663  -0.000345225   0.000002460
 H     -0.130467      2.867536      1.341585    0.00   0.000167010  -0.000065859  -0.000068374
 H     -2.860153     -0.083591     -0.138810    0.00  -0.000520233   0.000115977  -0.000495155
 H     -1.343501      1.019792      2.294793    0.00   0.000271910   0.000353236   0.000511746
 H      0.333034      0.477786      2.189749    0.00  -0.000019157  -0.000362476  -0.000296321
 H     -0.380963      0.741997     -1.789521    0.00   0.000135106  -0.000252267   0.000338938
 O     -1.066253     -1.570308      1.402752    0.00  -0.007138564   0.003370254   0.001901537
 C     -1.813663     -1.537161     -1.345399    0.00   0.000827799   0.000142524   0.001275970
 H     -2.086742     -2.414582     -0.739324    0.00   0.000104872  -0.000028200   0.000054819
 H     -2.540116     -1.458016     -2.161081    0.00   0.000259305  -0.000140808  -0.000073751
 H     -0.832204     -1.741871     -1.787087    0.00   0.000226308   0.000189652   0.000358156
 H      0.686112     -2.023801      0.657543    0.00   0.000568650  -0.000161288  -0.000251029
 O      0.635825     -1.198979      0.027152    0.00   0.008923531  -0.007058018  -0.005701615
 O      1.813050     -0.515903      0.423904    0.00   0.004990181  -0.001231241  -0.001752269
 C      2.451662     -0.174846     -0.784746    0.00   0.003689696   0.001042535  -0.000908553
 H      1.909258     -0.469631     -1.682660    0.00   0.000340834   0.000043597  -0.000087760
 O      3.500006      0.392581     -0.638776    0.00   0.003926699   0.003463833  -0.001835278
26
 Energy =      -0.178669914608
 C     -0.200865      1.968162      0.699867    0.00  -0.000280061  -0.001316185   0.000146754
 C     -1.231691      2.193831     -0.410253    0.00   0.000157751  -0.000325224   0.000085526
 C     -1.348967      0.949849     -1.296583    0.00   0.000500510  -0.000705400   0.000795440
 C     -1.801085     -0.274331     -0.485285    0.00  -0.004324177   0.000801620   0.000615216
 C     -1.025663     -0.477507      0.822415    0.00  -0.011178130   0.002142392   0.004398499
 C     -0.543578      0.753682      1.565988    0.00  -0.002532986   0.000281750   0.001624563
 H     -2.074570      1.132931     -2.113043    0.00   0.000276449  -0.000025001  -0.000130106
 H     -2.216410      2.444381      0.029448    0.00   0.000011121   0.000016565  -0.000027432
 H     -0.944253      3.069983     -1.022076    0.00   0.000067182  -0.000048262   0.000004597
 H      0.807878      1.836764      0.259631    0.00  -0.000057931  -0.000349900  -0.000003710
 H     -0.132105      2.868178      1.342265    0.00   0.000170633  -0.000067900  -0.000072614
 H     -2.855001     -0.084750     -0.133870    0.00  -0.000532692   0.000121395  -0.000528573
 H     -1.346246      1.016199      2.289595    0.00   0.000307297   0.000384893   0.000550046
 H      0.333048      0.481400      2.192733    0.00   0.000005366  -0.000381072  -0.000326934
 H     -0.382317      0.744430     -1.792774    0.00   0.000140593  -0.000248455   0.000333293
 O     -1.061767     -1.572410      1.401531    0.00  -0.007568536   0.003482063   0.002120071
 C     -1.814348     -1.537276     -1.346409    0.00   0.000854939   0.000140644   0.001203537
 H     -2.087799     -2.414284     -0.739806    0.00   0.000112931  -0.000032779   0.000044150
 H     -2.542577     -1.456684     -2.160367    0.00   0.000250116  -0.000133534  -0.000071147
 H     -0.834405     -1.743723     -1.790457    0.00   0.000224001   0.000192806   0.000337926
 H      0.680232     -2.022192      0.660528    0.00   0.000647593  -0.000196186  -0.000353158
 O      0.630196     -1.194593      0.030761    0.00   0.009528208  -0.007288227  -0.006140590
 O      1.809948     -0.515206      0.424949    0.00   0.005176662  -0.001041639  -0.001668481
 C      2.448650     -0.175720     -0.783995    0.00   0.003709126   0.001105625  -0.000937016
 H      1.905991     -0.470074     -1.681824    0.00   0.000333029   0.000047762  -0.000084861
 O      3.497583      0.390470     -0.637630    0.00   0.004001006   0.003442248  -0.001914997
26
 Energy =      -0.177945030064
 C     -0.200656      1.969189      0.699775    0.00  -0.000260112  -0.001339819   0.000091256
 C     -1.231813      2.194083     -0.410315    0.00   0.000157385  -0.000326452   0.000073065
 C     -1.349384      0.950397     -1.297198    0.00   0.000578952  -0.000711673   0.000792560
 C     -1.797778     -0.274936     -0.485767    0.00  -0.004227891   0.000761994   0.000629469
 C     -1.016719     -0.479138      0.818813    0.00  -0.011951766   0.002109636   0.004911800
 C     -0.541625      0.753464      1.564720    0.00  -0.002520316   0.000284720   0.001668090
 H     -2.077089      1.133178     -2.111862    0.00   0.000271579  -0.000029557  -0.000123609
 H     -2.216510      2.444252      0.029696    0.00   0.000010690   0.000011238  -0.000026300
 H     -0.944848      3.070416     -1.022120    0.00   0.000061651  -0.000045604   0.000004948
 H      0.808398      1.839996      0.259695    0.00  -0.000056392  -0.000350752  -0.000009677
 H     -0.133685      2.868805      1.342946    0.00   0.000171917  -0.000069701  -0.000075876
 H     -2.850003     -0.085902     -0.128866    0.00  -0.000541984   0.000127031  -0.000562345
 H     -1.349170      1.012481      2.284314    0.00   0.000340699   0.000419217   0.000585458
 H      0.332833      0.484994      2.195841    0.00   0.000030106  -0.000397094  -0.000355558
 H     -0.383642      0.746690     -1.795794    0.00   0.000144137  -0.000241093   0.000323049
 O     -1.057248     -1.574471      1.400243    0.00  -0.008021110   0.003589050   0.002340526
 C     -1.815017     -1.537383     -1.347310    0.00   0.000873516   0.000135500   0.001123410
 H     -2.088866     -2.413961     -0.740166    0.00   0.000118633  -0.000036735   0.000033455
 H     -2.544821     -1.455495     -2.159721    0.00   0.000238397  -0.000124010  -0.000067135
 H     -0.836461     -1.745498     -1.793459    0.00   0.000218860   0.000192644   0.000314566
 H      0.673868     -2.020337      0.664403    0.00   0.000738690  -0.000236511  -0.000474915
 O      0.624483     -1.190294      0.034446    0.00   0.010176376  -0.007503930  -0.006586495
 O      1.806888     -0.514661      0.425890    0.00   0.005379754  -0.000824310  -0.001575202
 C      2.445782     -0.176595     -0.783255    0.00   0.003705264   0.001157970  -0.000979679
 H      1.902969     -0.470529     -1.681053    0.00   0.000322605   0.000050827  -0.000082535
 O      3.495248      0.388484     -0.636501    0.00   0.004040362   0.003397413  -0.001972326
26
 Energy =      -0.177182523936
 C     -0.200473      1.970179      0.699730    0.00  -0.000236326  -0.001352130   0.000031009
 C     -1.231928      2.194322     -0.410364    0.00   0.000155656  -0.000322536   0.000060074
 C     -1.349837      0.950919     -1.297778    0.00   0.000654110  -0.000709384   0.000783718
 C     -1.794725     -0.275479     -0.486232    0.00  -0.004078505   0.000714553   0.000637453
 C     -1.007638     -0.480652      0.814993    0.00  -0.012750794   0.002046788   0.005473837
 C     -0.539783      0.753253      1.563487    0.00  -0.002493571   0.000289482   0.001698250
 H     -2.079425      1.133454     -2.110811    0.00   0.000262563  -0.000034244  -0.000114303
 H     -2.216601      2.444176      0.029919    0.00   0.000010264   0.000005995  -0.000024756
 H     -0.945361      3.070801     -1.022164    0.00   0.000055385  -0.000042305   0.000005257
 H      0.808875      1.843056      0.259807    0.00  -0.000053976  -0.000347164  -0.000015296
 H     -0.135186      2.869418      1.343617    0.00   0.000170413  -0.000071370  -0.000077831
 H     -2.845186     -0.087047     -0.123815    0.00  -0.000547672   0.000132872  -0.000595964
 H     -1.352228      1.008635      2.279001    0.00   0.000371177   0.000455910   0.000616586
 H      0.332414      0.488537      2.199034    0.00   0.000054464  -0.000409947  -0.000381305
 H     -0.384922      0.748758     -1.798557    0.00   0.000145560  -0.000230052   0.000308196
 O     -1.052697     -1.576491      1.398899    0.00  -0.008496187   0.003696579   0.002558152
 C     -1.815663     -1.537479     -1.348104    0.00   0.000882835   0.000127333   0.001036107
 H     -2.089920     -2.413623     -0.740415    0.00   0.000121848  -0.000039845   0.000023056
 H     -2.546843     -1.454457     -2.159150    0.00   0.000224115  -0.000112395  -0.000061675
 H     -0.838355     -1.747169     -1.796097    0.00   0.000210780   0.000188985   0.000288202
 H      0.666960     -2.018211      0.669261    0.00   0.000845038  -0.000283452  -0.000619815
 O      0.618683     -1.186092      0.038195    0.00   0.010866596  -0.007704104  -0.007031844
 O      1.803861     -0.514271      0.426731    0.00   0.005601034  -0.000577487  -0.001475495
 C      2.443067     -0.177461     -0.782514    0.00   0.003675407   0.001197716  -0.001037694
 H      1.900200     -0.470984     -1.680339    0.00   0.000309382   0.000052811  -0.000080950
 O      3.493016      0.386627     -0.635404    0.00   0.004040403   0.003327392  -0.002002969
26
 Energy =      -0.176380615639
 C     -0.200317      1.971124      0.699731    0.00  -0.000208957  -0.001352827  -0.000032872
 C     -1.232036      2.194545     -0.410402    0.00   0.000152255  -0.000313836   0.000047118
 C     -1.350319      0.951411     -1.298320    0.00   0.000723814  -0.000698592   0.000768991
 C     -1.791945     -0.275959     -0.486678    0.00  -0.003873689   0.000659720   0.000637639
 C     -0.998437     -0.482034      0.810949    0.00  -0.013571704   0.001948357   0.006087729
 C     -0.538056      0.753049      1.562299    0.00  -0.002449533   0.000294727   0.001711084
 H     -2.081556      1.133756     -2.109902    0.00   0.000249379  -0.000039003  -0.000102243
 H     -2.216684      2.444146      0.030118    0.00   0.000009834   0.000000926  -0.000022795
 H     -0.945794      3.071137     -1.022209    0.00   0.000048498  -0.000038465   0.000005539
 H      0.809307      1.845916      0.259958    0.00  -0.000050662  -0.000338591  -0.000020433
 H     -0.136588      2.870014      1.344265    0.00   0.000165712  -0.000073044  -0.000078143
 H     -2.840576     -0.088185     -0.118734    0.00  -0.000549254   0.000138896  -0.000628671
 H     -1.355374      1.004666      2.273714    0.00   0.000397662   0.000494395   0.000641800
 H      0.331818      0.491997      2.202269    0.00   0.000077729  -0.000418952  -0.000403189
 H     -0.386139      0.750616     -1.801042    0.00   0.000144732  -0.000215311   0.000288877
 O     -1.048115     -1.578470      1.397509    0.00  -0.008992193   0.003813476   0.002766164
 C     -1.816280     -1.537565     -1.348797    0.00   0.000882196   0.000116595   0.000942115
 H     -2.090938     -2.413280     -0.740568    0.00   0.000122517  -0.000041852   0.000013325
 H     -2.548637     -1.453576     -2.158660    0.00   0.000207292  -0.000098997  -0.000054797
 H     -0.840074     -1.748713     -1.798375    0.00   0.000199727   0.000181730   0.000259061
 H      0.659431     -2.015786      0.675207    0.00   0.000971493  -0.000338326  -0.000792074
 O      0.612796     -1.181995      0.041990    0.00   0.011594112  -0.007888249  -0.007466666
 O      1.800863     -0.514038      0.427478    0.00   0.005841882  -0.000299947  -0.001373772
 C      2.440516     -0.178308     -0.781764    0.00   0.003616919   0.001222882  -0.001110618
 H      1.897689     -0.471428     -1.679669    0.00   0.000293178   0.000053781  -0.000080175
 O      3.490906      0.384906     -0.634352    0.00   0.003997060   0.003230507  -0.002002995
26
 Energy =      -0.175537283027
 C     -0.200188      1.972020      0.699775    0.00  -0.000178659  -0.001341976  -0.000098717
 C     -1.232135      2.194749     -0.410429    0.00   0.000146994  -0.000300836   0.000034749
 C     -1.350821      0.951869     -1.298825    0.00   0.000785451  -0.000679676   0.000748585
 C     -1.789457     -0.276377     -0.487098    0.00  -0.003612080   0.000598205   0.000628104
 C     -0.989137     -0.483267      0.806677    0.00  -0.014410301   0.001806493   0.006757301
 C     -0.536451      0.752851      1.561169    0.00  -0.002384398   0.000298516   0.001701992
 H     -2.083462      1.134082     -2.109145    0.00   0.000232151  -0.000043710  -0.000087631
 H     -2.216760      2.444157      0.030289    0.00   0.000009399  -0.000003891  -0.000020423
 H     -0.946150      3.071425     -1.022254    0.00   0.000041138  -0.000034208   0.000005805
 H      0.809688      1.848546      0.260139    0.00  -0.000046488  -0.000324615  -0.000024964
 H     -0.137870      2.870596      1.344877    0.00   0.000157490  -0.000074859  -0.000076491
 H     -2.836198     -0.089315     -0.113652    0.00  -0.000546108   0.000145068  -0.000659316
 H     -1.358557      1.000584      2.268517    0.00   0.000418946   0.000533694   0.000659222
 H      0.331075      0.495340      2.205501    0.00   0.000099080  -0.000423312  -0.000420130
 H     -0.387279      0.752253     -1.803237    0.00   0.000141586  -0.000196980   0.000265410
 O     -1.043507     -1.580417      1.396088    0.00  -0.009505300   0.003953778   0.002954572
 C     -1.816863     -1.537638     -1.349390    0.00   0.000870884   0.000103986   0.000841874
 H     -2.091902     -2.412944     -0.740640    0.00   0.000120665  -0.000042461   0.000004701
 H     -2.550201     -1.452848     -2.158254    0.00   0.000188018  -0.000084312  -0.000046621
 H     -0.841608     -1.750111     -1.800302    0.00   0.000185754   0.000170876   0.000227490
 H      0.651171     -2.013030      0.682359    0.00   0.001126049  -0.000402277  -0.000996652
 O      0.606829     -1.178010      0.045809    0.00   0.012348823  -0.008056238  -0.007878065
 O      1.797887     -0.513962      0.428139    0.00   0.006103218   0.000008195  -0.001275988
 C      2.438140     -0.179124     -0.780997    0.00   0.003527302   0.001231312  -0.001195615
 H      1.895442     -0.471855     -1.679036    0.00   0.000273779   0.000053831  -0.000080100
 O      3.488932      0.383324     -0.633360    0.00   0.003906605   0.003105397  -0.001969093
26
 Energy =      -0.174650197747
 C     -0.200085      1.972860      0.699858    0.00  -0.000146516  -0.001319886  -0.000164130
 C     -1.232226      2.194934     -0.410447    0.00   0.000139889  -0.000284076   0.000023423
 C     -1.351333      0.952290     -1.299290    0.00   0.000835930  -0.000653362   0.000722794
 C     -1.787275     -0.276734     -0.487487    0.00  -0.003293621   0.000531082   0.000606409
 C     -0.979762     -0.484331      0.802173    0.00  -0.015261415   0.001608675   0.007487579
 C     -0.534973      0.752662      1.560107    0.00  -0.002293693   0.000298282   0.001665756
 H     -2.085131      1.134426     -2.108544    0.00   0.000211184  -0.000048145  -0.000070843
 H     -2.216829      2.444203      0.030433    0.00   0.000008960  -0.000008420  -0.000017654
 H     -0.946431      3.071666     -1.022298    0.00   0.000033478  -0.000029670   0.000006070
 H      0.810017      1.850921      0.260343    0.00  -0.000041569  -0.000305010  -0.000028786
 H     -0.139013      2.871164      1.345438    0.00   0.000145570  -0.000076899  -0.000072638
 H     -2.832081     -0.090436     -0.108602    0.00  -0.000537427   0.000151314  -0.000686183
 H     -1.361720      0.996410      2.263482    0.00   0.000433674   0.000572227   0.000666733
 H      0.330222      0.498530      2.208680    0.00   0.000117587  -0.000422064  -0.000430969
 H     -0.388329      0.753657     -1.805134    0.00   0.000136110  -0.000175330   0.000238310
 O     -1.038880     -1.582344      1.394657    0.00  -0.010028239   0.004139457   0.003108271
 C     -1.817407     -1.537699     -1.349889    0.00   0.000848226   0.000090461   0.000735798
 H     -2.092796     -2.412625     -0.740650    0.00   0.000116428  -0.000041344  -0.000002309
 H     -2.551535     -1.452271     -2.157936    0.00   0.000166481  -0.000069053  -0.000037373
 H     -0.842950     -1.751345     -1.801889    0.00   0.000169017   0.000156522   0.000193984
 H      0.642016     -2.009917      0.690847    0.00   0.001322187  -0.000475590  -0.001239171
 O      0.600795     -1.174145      0.049626    0.00   0.013112009  -0.008207881  -0.008249800
 O      1.794929     -0.514042      0.428722    0.00   0.006384800   0.000343964  -0.001189385
 C      2.435948     -0.179899     -0.780213    0.00   0.003404419   0.001220633  -0.001286648
 H      1.893465     -0.472258     -1.678433    0.00   0.000250935   0.000053054  -0.000080349
 O      3.487110      0.381886     -0.632441    0.00   0.003765595   0.002951059  -0.001898890
26
 Energy =      -0.173716619756
 C     -0.200007      1.973643      0.699975    0.00  -0.000114017  -0.001286862  -0.000225848
 C     -1.232307      2.195099     -0.410458    0.00   0.000131243  -0.000264079   0.000013419
 C     -1.351847      0.952673     -1.299714    0.00   0.000871661  -0.000620700   0.000691890
 C     -1.785409     -0.277032     -0.487840    0.00  -0.002920096   0.000459901   0.000569452
 C     -0.970341     -0.485200      0.797435    0.00  -0.016117871   0.001333809   0.008285254
 C     -0.533633      0.752484      1.559130    0.00  -0.002172340   0.000291073   0.001596788
 H     -2.086556      1.134783     -2.108100    0.00   0.000187007  -0.000051952  -0.000052475
 H     -2.216891      2.444278      0.030549    0.00   0.000008534  -0.000012685  -0.000014506
 H     -0.946643      3.071861     -1.022343    0.00   0.000025696  -0.000024992   0.000006339
 H      0.810293      1.853016      0.260560    0.00  -0.000036107  -0.000279824  -0.000031814
 H     -0.140001      2.871720      1.345937    0.00   0.000130007  -0.000079107  -0.000066515
 H     -2.828256     -0.091544     -0.103633    0.00  -0.000522141   0.000157454  -0.000706783
 H     -1.364806      0.992180      2.258690    0.00   0.000440387   0.000607591   0.000662042
 H      0.329295      0.501528      2.211755    0.00   0.000132214  -0.000414071  -0.000434481
 H     -0.389278      0.754827     -1.806732    0.00   0.000128350  -0.000150815   0.000208292
 O     -1.034249     -1.584276      1.393240    0.00  -0.010548549   0.004404334   0.003204177
 C     -1.817906     -1.537749     -1.350298    0.00   0.000813699   0.000077226   0.000624391
 H     -2.093606     -2.412338     -0.740616    0.00   0.000110063  -0.000038148  -0.000007120
 H     -2.552642     -1.451830     -2.157702    0.00   0.000142991  -0.000054153  -0.000027393
 H     -0.844094     -1.752403     -1.803153    0.00   0.000149783   0.000138883   0.000159207
 H      0.631710     -2.006433      0.700813    0.00   0.001582369  -0.000556362  -0.001525711
 O      0.594722     -1.170408      0.053406    0.00   0.013851360  -0.008342107  -0.008561834
 O      1.791987     -0.514274      0.429242    0.00   0.006683713   0.000698909  -0.001121256
 C      2.433950     -0.180623     -0.779414    0.00   0.003246922   0.001188308  -0.001373973
 H      1.891762     -0.472632     -1.677859    0.00   0.000224367   0.000051485  -0.000080213
 O      3.485455      0.380596     -0.631608    0.00   0.003570756   0.002766882  -0.001791331
26
 Energy =      -0.172733189864
 C     -0.199951      1.974364      0.700120    0.00  -0.000082893  -0.001242801  -0.000279672
 C     -1.232379      2.195243     -0.410464    0.00   0.000121664  -0.000241262   0.000004755
 C     -1.352349      0.953015     -1.300098    0.00   0.000888673  -0.000582942   0.000655889
 C     -1.783864     -0.277274     -0.488148    0.00  -0.002496161   0.000386919   0.000513442
 C     -0.960913     -0.485836      0.792461    0.00  -0.016967833   0.000947198   0.009158219
 C     -0.532440      0.752322      1.558251    0.00  -0.002014955   0.000274261   0.001489755
 H     -2.087737      1.135145     -2.107807    0.00   0.000160416  -0.000054608  -0.000033378
 H     -2.216947      2.444377      0.030636    0.00   0.000008147  -0.000016774  -0.000011002
 H     -0.946792      3.072015     -1.022386    0.00   0.000017966  -0.000020306   0.000006610
 H      0.810518      1.854817      0.260784    0.00  -0.000030400  -0.000249450  -0.000033975
 H     -0.140822      2.872263      1.346361    0.00   0.000111180  -0.000081185  -0.000058325
 H     -2.824756     -0.092637     -0.098805    0.00  -0.000498888   0.000163086  -0.000717719
 H     -1.367754      0.987946      2.254222    0.00   0.000437635   0.000636312   0.000642883
 H      0.328336      0.504292      2.214672    0.00   0.000141802  -0.000398100  -0.000429419
 H     -0.390118      0.755762     -1.808039    0.00   0.000118405  -0.000124099   0.000176276
 O     -1.029634     -1.586249      1.391872    0.00  -0.011045991   0.004798201   0.003207720
 C     -1.818358     -1.537790     -1.350621    0.00   0.000767144   0.000065650   0.000508498
 H     -2.094327     -2.412095     -0.740561    0.00   0.000101959  -0.000032524  -0.000009086
 H     -2.553529     -1.451509     -2.157550    0.00   0.000118025  -0.000040713  -0.000017123
 H     -0.845042     -1.753278     -1.804115    0.00   0.000128432   0.000118319   0.000124004
 H      0.619856     -2.002602      0.712400    0.00   0.001942246  -0.000638234  -0.001862466
 O      0.588656     -1.166805      0.057110    0.00   0.014514157  -0.008455869  -0.008789507
 O      1.789066     -0.514647      0.429710    0.00   0.006991435   0.001055276  -0.001076113
 C      2.432152     -0.181285     -0.778609    0.00   0.003055033   0.001131854  -0.001444423
 H      1.890340     -0.472974     -1.677319    0.00   0.000193868   0.000049062  -0.000078666
 O      3.483979      0.379457     -0.630872    0.00   0.003318935   0.002552730  -0.001647178
26
 Energy =       -0.17169548903
 C     -0.199915      1.975020      0.700282    0.00  -0.000054804  -0.001186681  -0.000320650
 C     -1.232442      2.195367     -0.410464    0.00   0.000111991  -0.000215908  -0.000002841
 C     -1.352828      0.953319     -1.300441    0.00   0.000882939  -0.000541289   0.000614230
 C     -1.782642     -0.277463     -0.488404    0.00  -0.002031040   0.000315445   0.000434192
 C     -0.951527     -0.486187      0.787253    0.00  -0.017788983   0.000397553   0.010111754
 C     -0.531405      0.752180      1.557488    0.00  -0.001816751   0.000246881   0.001340855
 H     -2.088680      1.135499     -2.107652    0.00   0.000132511  -0.000055425  -0.000014702
 H     -2.216998      2.444498      0.030694    0.00   0.000007837  -0.000020805  -0.000007189
 H     -0.946883      3.072131     -1.022430    0.00   0.000010455  -0.000015734   0.000006868
 H      0.810695      1.856313      0.261007    0.00  -0.000024828  -0.000214709  -0.000035193
 H     -0.141471      2.872788      1.346706    0.00   0.000089886  -0.000082502  -0.000048633
 H     -2.821621     -0.093704     -0.094201    0.00  -0.000466156   0.000167411  -0.000714758
 H     -1.370499      0.983784      2.250166    0.00   0.000424217   0.000653720   0.000607440
 H      0.327388      0.506781      2.217375    0.00   0.000145063  -0.000373099  -0.000414610
 H     -0.390843      0.756472     -1.809068    0.00   0.000106417  -0.000096075   0.000143364
 O     -1.025070     -1.588317      1.390603    0.00  -0.011489086   0.005387312   0.003070650
 C     -1.818757     -1.537823     -1.350864    0.00   0.000709131   0.000057098   0.000389773
 H     -2.094953     -2.411910     -0.740507    0.00   0.000092607  -0.000024218  -0.000007555
 H     -2.554206     -1.451283     -2.157472    0.00   0.000092275  -0.000029878  -0.000007083
 H     -0.845796     -1.753968     -1.804802    0.00   0.000105453   0.000095384   0.000089414
 H      0.605865     -1.998524      0.725744    0.00   0.002453311  -0.000707039  -0.002255444
 O      0.582668     -1.163349      0.060688    0.00   0.015019783  -0.008543359  -0.008901608
 O      1.786173     -0.515140      0.430140    0.00   0.007289050   0.001381705  -0.001051009
 C      2.430561     -0.181875     -0.777817    0.00   0.002831626   0.001049354  -0.001483104
 H      1.889200     -0.473280     -1.676825    0.00   0.000159550   0.000045596  -0.000074541
 O      3.482694      0.378471     -0.630239    0.00   0.003007546   0.002309261  -0.001469619
26
 Energy =      -0.170597183673
 C     -0.199893      1.975607      0.700453    0.00  -0.000030937  -0.001116215  -0.000343705
 C     -1.232497      2.195470     -0.410461    0.00   0.000103078  -0.000188232  -0.000009836
 C     -1.353272      0.953584     -1.300741    0.00   0.000851132  -0.000496551   0.000565495
 C     -1.781731     -0.277607     -0.488598    0.00  -0.001540979   0.000250128   0.000328248
 C     -0.942259     -0.486180      0.781827    0.00  -0.018537775  -0.000375137   0.011136243
 C     -0.530539      0.752062      1.556852    0.00  -0.001575487   0.000211412   0.001149970
 H     -2.089401      1.135831     -2.107614    0.00   0.000104694  -0.000053641   0.000002130
 H     -2.217045      2.444636      0.030726    0.00   0.000007635  -0.000024831  -0.000003178
 H     -0.946925      3.072213     -1.022472    0.00   0.000003347  -0.000011392   0.000007085
 H      0.810830      1.857506      0.261221    0.00  -0.000019824  -0.000176927  -0.000035351
 H     -0.141950      2.873289      1.346971    0.00   0.000067412  -0.000082089  -0.000038392
 H     -2.818892     -0.094730     -0.089923    0.00  -0.000422733   0.000169068  -0.000693377
 H     -1.372982      0.979796      2.246604    0.00   0.000399578   0.000654195   0.000555094
 H      0.326500      0.508951      2.219809    0.00   0.000140670  -0.000338737  -0.000389161
 H     -0.391448      0.756972     -1.809841    0.00   0.000092580  -0.000067879   0.000110816
 O     -1.020607     -1.590545      1.389493    0.00  -0.011831311   0.006241578   0.002735598
 C     -1.819102     -1.537851     -1.351032    0.00   0.000641412   0.000052608   0.000271308
 H     -2.095485     -2.411793     -0.740478    0.00   0.000082540  -0.000013245  -0.000002000
 H     -2.554689     -1.451126     -2.157457    0.00   0.000066703  -0.000022581   0.000002185
 H     -0.846366     -1.754475     -1.805246    0.00   0.000081445   0.000070920   0.000056661
 H      0.588940     -1.994420      0.740953    0.00   0.003178051  -0.000736736  -0.002710336
 O      0.576865     -1.160054      0.064081    0.00   0.015255981  -0.008596756  -0.008856439
 O      1.783335     -0.515717      0.430537    0.00   0.007540970   0.001631058  -0.001030181
 C      2.429179     -0.182383     -0.777059    0.00   0.002583238   0.000940374  -0.001476887
 H      1.888341     -0.473544     -1.676393    0.00   0.000122255   0.000040843  -0.000066953
 O      3.481611      0.377637     -0.629714    0.00   0.002636325   0.002038766  -0.001265038
26
 Energy =       -0.16942890008
 C     -0.199883      1.976122      0.700619    0.00  -0.000011636  -0.001028255  -0.000344978
 C     -1.232545      2.195554     -0.410455    0.00   0.000095471  -0.000158641  -0.000016647
 C     -1.353667      0.953810     -1.300999    0.00   0.000791930  -0.000448896   0.000507666
 C     -1.781110     -0.277714     -0.488723    0.00  -0.001051571   0.000196661   0.000195464
 C     -0.933221     -0.485738      0.776225    0.00  -0.019133387  -0.001406751   0.012180538
 C     -0.529851      0.751968      1.556355    0.00  -0.001294774   0.000174876   0.000923593
 H     -2.089925      1.136124     -2.107665    0.00   0.000078579  -0.000048669   0.000015578
 H     -2.217088      2.444788      0.030733    0.00   0.000007536  -0.000028704   0.000000812
 H     -0.946926      3.072267     -1.022513    0.00  -0.000003128  -0.000007416   0.000007227
 H      0.810932      1.858407      0.261420    0.00  -0.000015817  -0.000137982  -0.000034287
 H     -0.142273      2.873749      1.347163    0.00   0.000045487  -0.000078842  -0.000028806
 H     -2.816609     -0.095691     -0.086083    0.00  -0.000368628   0.000166195  -0.000650061
 H     -1.375150      0.976108      2.243603    0.00   0.000364293   0.000632235   0.000487418
 H      0.325718      0.510770      2.221924    0.00   0.000127630  -0.000296103  -0.000352897
 H     -0.391933      0.757283     -1.810387    0.00   0.000077184  -0.000040890   0.000080014
 O     -1.016316     -1.593002      1.388614    0.00  -0.012008896   0.007393722   0.002156346
 C     -1.819392     -1.537876     -1.351135    0.00   0.000567291   0.000052463   0.000158208
 H     -2.095926     -2.411751     -0.740494    0.00   0.000072204  -0.000000195   0.000007697
 H     -2.555001     -1.451008     -2.157493    0.00   0.000042549  -0.000019200   0.000010183
 H     -0.846762     -1.754812     -1.805486    0.00   0.000057130   0.000046204   0.000027134
 H      0.568165     -1.990687      0.758082    0.00   0.004166887  -0.000686745  -0.003231907
 O      0.571394     -1.156940      0.067214    0.00   0.015088382  -0.008609741  -0.008596349
 O      1.780593     -0.516326      0.430900    0.00   0.007689992   0.001745960  -0.000983137
 C      2.428003     -0.182803     -0.776362    0.00   0.002319987   0.000807260  -0.001419207
 H      1.887750     -0.473760     -1.676040    0.00   0.000084013   0.000034685  -0.000055914
 O      3.480737      0.376954     -0.629298    0.00   0.002211293   0.001746769  -0.001043690
26
 Energy =       -0.16817845033
 C     -0.199882      1.976558      0.700769    0.00   0.000003599  -0.000920539  -0.000323688
 C     -1.232586      2.195618     -0.410446    0.00   0.000089071  -0.000128066  -0.000023275
 C     -1.354004      0.954000     -1.301211    0.00   0.000707659  -0.000398039   0.000439379
 C     -1.780742     -0.277794     -0.488775    0.00  -0.000597439   0.000160096   0.000042875
 C     -0.924570     -0.484809      0.770541    0.00  -0.019442069  -0.002646842   0.013114769
 C     -0.529339      0.751896      1.555996    0.00  -0.000987976   0.000147207   0.000677233
 H     -2.090283      1.136363     -2.107773    0.00   0.000055741  -0.000040497   0.000024383
 H     -2.217128      2.444950      0.030719    0.00   0.000007454  -0.000031972   0.000004441
 H     -0.946894      3.072297     -1.022552    0.00  -0.000008649  -0.000003967   0.000007251
 H      0.811010      1.859044      0.261597    0.00  -0.000013131  -0.000100243  -0.000031828
 H     -0.142463      2.874153      1.347295    0.00   0.000026038  -0.000072008  -0.000020996
 H     -2.814792     -0.096557     -0.082785    0.00  -0.000306162   0.000157001  -0.000584267
 H     -1.376967      0.972848      2.241193    0.00   0.000320382   0.000584631   0.000408943
 H      0.325084      0.512226      2.223683    0.00   0.000106073  -0.000248131  -0.000306997
 H     -0.392301      0.757436     -1.810740    0.00   0.000060705  -0.000016660   0.000052406
 O     -1.012287     -1.595727      1.388030    0.00  -0.011943391   0.008766553   0.001337728
 C     -1.819630     -1.537900     -1.351183    0.00   0.000491377   0.000055790   0.000057439
 H     -2.096283     -2.411784     -0.740572    0.00   0.000061812   0.000013469   0.000020806
 H     -2.555171     -1.450907     -2.157565    0.00   0.000021239  -0.000019223   0.000016501
 H     -0.847002     -1.754998     -1.805564    0.00   0.000033413   0.000023022   0.000002276
 H      0.542785     -1.987907      0.777108    0.00   0.005407695  -0.000507315  -0.003818852
 O      0.566426     -1.154029      0.070005    0.00   0.014394710  -0.008580523  -0.008046878
 O      1.778009     -0.516903      0.431212    0.00   0.007660395   0.001678695  -0.000873592
 C      2.427023     -0.183130     -0.775748    0.00   0.002053053   0.000656297  -0.001313713
 H      1.887396     -0.473927     -1.675776    0.00   0.000048111   0.000027408  -0.000042772
 O      3.480069      0.376417     -0.628985    0.00   0.001750287   0.001443855  -0.000819571
26
 Energy =      -0.166836416855
 C     -0.199886      1.976916      0.700897    0.00   0.000015555  -0.000794240  -0.000283459
 C     -1.232622      2.195665     -0.410435    0.00   0.000083053  -0.000098120  -0.000029076
 C     -1.354278      0.954155     -1.301378    0.00   0.000604986  -0.000343861   0.000361919
 C     -1.780576     -0.277857     -0.488759    0.00  -0.000215944   0.000141824  -0.000112476
 C     -0.916475     -0.483411      0.764916    0.00  -0.019277344  -0.003905802   0.013712585
 C     -0.528992      0.751836      1.555765    0.00  -0.000679408   0.000135789   0.000434457
 H     -2.090513      1.136539     -2.107905    0.00   0.000037295  -0.000030019   0.000028093
 H     -2.217164      2.445114      0.030690    0.00   0.000007237  -0.000033937   0.000007307
 H     -0.946840      3.072310     -1.022588    0.00  -0.000012840  -0.000001218   0.000007117
 H      0.811073      1.859457      0.261745    0.00  -0.000011840  -0.000066242  -0.000027933
 H     -0.142553      2.874487      1.347386    0.00   0.000010661  -0.000061744  -0.000015542
 H     -2.813423     -0.097300     -0.080089    0.00  -0.000240323   0.000140802  -0.000499999
 H     -1.378430      0.970111      2.239355    0.00   0.000271083   0.000512945   0.000326682
 H      0.324620      0.513338      2.225076    0.00   0.000078161  -0.000199041  -0.000254446
 H     -0.392560      0.757468     -1.810944    0.00   0.000043946   0.000003277   0.000029332
 O     -1.008604     -1.598701      1.387769    0.00  -0.011549881   0.010110340   0.000373515
 C     -1.819820     -1.537924     -1.351189    0.00   0.000418169   0.000060553  -0.000023647
 H     -2.096563     -2.411879     -0.740714    0.00   0.000051316   0.000025469   0.000035378
 H     -2.555232     -1.450807     -2.157658    0.00   0.000004082  -0.000021233   0.000020841
 H     -0.847112     -1.755064     -1.805528    0.00   0.000011489   0.000003457  -0.000016664
 H      0.512590     -1.986741      0.797945    0.00   0.006762034  -0.000163782  -0.004444325
 O      0.562107     -1.151329      0.072373    0.00   0.013119192  -0.008500670  -0.007136497
 O      1.775651     -0.517387      0.431455    0.00   0.007375880   0.001422171  -0.000682087
 C      2.426221     -0.183371     -0.775228    0.00   0.001789684   0.000497914  -0.001172844
 H      1.887232     -0.474045     -1.675595    0.00   0.000018296   0.000019804  -0.000029880
 O      3.479593      0.376011     -0.628761    0.00   0.001285461   0.001145565  -0.000608351
26
 Energy =      -0.165410388975
 C     -0.199895      1.977201      0.700998    0.00   0.000024517  -0.000654971  -0.000231463
 C     -1.232653      2.195698     -0.410422    0.00   0.000076135  -0.000070739  -0.000032918
 C     -1.354494      0.954278     -1.301503    0.00   0.000493230  -0.000286954   0.000280136
 C     -1.780549     -0.277911     -0.488687    0.00   0.000063973   0.000137458  -0.000245905
 C     -0.909056     -0.481646      0.759505    0.00  -0.018428923  -0.004884913   0.013693727
 C     -0.528783      0.751782      1.555638    0.00  -0.000399337   0.000139687   0.000220826
 H     -2.090654      1.136653     -2.108036    0.00   0.000023537  -0.000018905   0.000027320
 H     -2.217196      2.445273      0.030651    0.00   0.000006720  -0.000033905   0.000009072
 H     -0.946774      3.072311     -1.022620    0.00  -0.000015352   0.000000708   0.000006778
 H      0.811129      1.859699      0.261863    0.00  -0.000011605  -0.000038097  -0.000022848
 H     -0.142577      2.874747      1.347451    0.00   0.000000106  -0.000049229  -0.000012242
 H     -2.812443     -0.097907     -0.077975    0.00  -0.000177398   0.000118715  -0.000405223
 H     -1.379571      0.967917      2.238008    0.00   0.000219951   0.000424038   0.000248006
 H      0.324323      0.514159      2.226135    0.00   0.000048111  -0.000152807  -0.000199598
 H     -0.392726      0.757417     -1.811039    0.00   0.000028059   0.000017689   0.000011725
 O     -1.005316     -1.601840      1.387809    0.00  -0.010746477   0.011030487  -0.000563100
 C     -1.819971     -1.537949     -1.351168    0.00   0.000349889   0.000064046  -0.000079638
 H     -2.096776     -2.412016     -0.740914    0.00   0.000040626   0.000033482   0.000048366
 H     -2.555221     -1.450703     -2.157761    0.00  -0.000008103  -0.000023360   0.000023012
 H     -0.847119     -1.755047     -1.805420    0.00  -0.000007091  -0.000010706  -0.000028945
 H      0.478103     -1.987729      0.820485    0.00   0.007939405   0.000319860  -0.005017767
 O      0.558506     -1.148821      0.074269    0.00   0.011310508  -0.008316668  -0.005848024
 O      1.773562     -0.517743      0.431617    0.00   0.006786218   0.001028749  -0.000428141
 C      2.425570     -0.183535     -0.774798    0.00   0.001529038   0.000344927  -0.001010305
 H      1.887196     -0.474122     -1.675480    0.00  -0.000002740   0.000012920  -0.000019373
 O      3.479278      0.375715     -0.628610    0.00   0.000857001   0.000868488  -0.000423475
26
 Energy =      -0.163944072534
 C     -0.199905      1.977422      0.701076    0.00   0.000029919  -0.000510748  -0.000175609
 C     -1.232681      2.195721     -0.410410    0.00   0.000067074  -0.000047501  -0.000033661
 C     -1.354660      0.954376     -1.301594    0.00   0.000380996  -0.000228432   0.000200909
 C     -1.780609     -0.277964     -0.488574    0.00   0.000229945   0.000137938  -0.000332562
 C     -0.902339     -0.479663      0.754418    0.00  -0.016709653  -0.005293853   0.012814663
 C     -0.528676      0.751726      1.555587    0.00  -0.000174819   0.000149169   0.000056405
 H     -2.090739      1.136715     -2.108151    0.00   0.000013981  -0.000008993   0.000023393
 H     -2.217224      2.445421      0.030608    0.00   0.000005824  -0.000031458   0.000009552
 H     -0.946702      3.072305     -1.022650    0.00  -0.000015971   0.000001809   0.000006182
 H      0.811184      1.859823      0.261953    0.00  -0.000011662  -0.000017047  -0.000017125
 H     -0.142563      2.874940      1.347502    0.00  -0.000005805  -0.000036135  -0.000010296
 H     -2.811761     -0.098388     -0.076360    0.00  -0.000122617   0.000093223  -0.000308955
 H     -1.380450      0.966214      2.237040    0.00   0.000169865   0.000327554   0.000178230
 H      0.324168      0.514757      2.226917    0.00   0.000020953  -0.000111849  -0.000146865
 H     -0.392819      0.757316     -1.811065    0.00   0.000014415   0.000025843  -0.000000126
 O     -1.002421     -1.605040      1.388088    0.00  -0.009464137   0.011115879  -0.001282985
 C     -1.820092     -1.537973     -1.351131    0.00   0.000285361   0.000063700  -0.000108433
 H     -2.096934     -2.412172     -0.741157    0.00   0.000029963   0.000036102   0.000056364
 H     -2.555167     -1.450595     -2.157866    0.00  -0.000015141  -0.000023972   0.000022910
 H     -0.847051     -1.754981     -1.805276    0.00  -0.000020514  -0.000018590  -0.000034472
 H      0.440348     -1.991099      0.844616    0.00   0.008550672   0.000829463  -0.005353475
 O      0.555590     -1.146465      0.075691    0.00   0.009109740  -0.007888119  -0.004277383
 O      1.771749     -0.517966      0.431698    0.00   0.005882608   0.000593998  -0.000167820
 C      2.425038     -0.183639     -0.774446    0.00   0.001263121   0.000209820  -0.000833818
 H      1.887236     -0.474169     -1.675409    0.00  -0.000014363   0.000007547  -0.000012072
 O      3.479086      0.375502     -0.628511    0.00   0.000500245   0.000624654  -0.000272951
26
 Energy =       -0.16253086517
 C     -0.199918      1.977595      0.701134    0.00   0.000030717  -0.000368883  -0.000122025
 C     -1.232705      2.195736     -0.410397    0.00   0.000055049  -0.000029160  -0.000030608
 C     -1.354789      0.954455     -1.301659    0.00   0.000273903  -0.000169397   0.000130474
 C     -1.780715     -0.278017     -0.488436    0.00   0.000286268   0.000132769  -0.000354689
 C     -0.896259     -0.477597      0.749697    0.00  -0.013996259  -0.004960617   0.010943340
 C     -0.528641      0.751666      1.555587    0.00  -0.000022932   0.000150617  -0.000047747
 H     -2.090789      1.136739     -2.108248    0.00   0.000007719  -0.000001678   0.000017741
 H     -2.217248      2.445558      0.030564    0.00   0.000004586  -0.000026564   0.000008738
 H     -0.946630      3.072296     -1.022677    0.00  -0.000014663   0.000002197   0.000005270
 H      0.811240      1.859868      0.262019    0.00  -0.000011048  -0.000003397  -0.000011463
 H     -0.142530      2.875081      1.347548    0.00  -0.000007827  -0.000023926  -0.000008751
 H     -2.811290     -0.098762     -0.075131    0.00  -0.000078596   0.000067033  -0.000218262
 H     -1.381131      0.964904      2.236342    0.00   0.000122590   0.000232427   0.000119636
 H      0.324121      0.515196      2.227491    0.00   0.000000933  -0.000076884  -0.000099537
 H     -0.392859      0.757188     -1.811049    0.00   0.000004284   0.000027549  -0.000006538
 O     -0.999880     -1.608213      1.388539    0.00  -0.007667439   0.010072486  -0.001642199
 C     -1.820193     -1.537997     -1.351087    0.00   0.000221020   0.000057637  -0.000110983
 H     -2.097048     -2.412333     -0.741430    0.00   0.000019981   0.000033218   0.000056499
 H     -2.555089     -1.450487     -2.157968    0.00  -0.000017336  -0.000022076   0.000020515
 H     -0.846934     -1.754889     -1.805115    0.00  -0.000027076  -0.000020385  -0.000033661
 H      0.400421     -1.996748      0.870199    0.00   0.008216865   0.001180287  -0.005191399
 O      0.553262     -1.144211      0.076676    0.00   0.006705885  -0.006996448  -0.002647411
 O      1.770184     -0.518075      0.431711    0.00   0.004693331   0.000217974   0.000033822
 C      2.424595     -0.183698     -0.774154    0.00   0.000981683   0.000102660  -0.000644412
 H      1.887311     -0.474196     -1.675363    0.00  -0.000017744   0.000003902  -0.000007494
 O      3.478979      0.375348     -0.628448    0.00   0.000236106   0.000418658  -0.000158856
26
 Energy =      -0.161312819764
 C     -0.199931      1.977732      0.701178    0.00   0.000026076  -0.000234289  -0.000074232
 C     -1.232727      2.195746     -0.410384    0.00   0.000039833  -0.000015574  -0.000023724
 C     -1.354891      0.954518     -1.301704    0.00   0.000174442  -0.000110708   0.000072633
 C     -1.780840     -0.278074     -0.488283    0.00   0.000249170   0.000112698  -0.000304902
 C     -0.890700     -0.475539      0.745323    0.00  -0.010254085  -0.003869436   0.008085099
 C     -0.528651      0.751600      1.555621    0.00   0.000051002   0.000131878  -0.000088649
 H     -2.090820      1.136735     -2.108327    0.00   0.000003807   0.000002350   0.000011502
 H     -2.217268      2.445684      0.030522    0.00   0.000003130  -0.000019540   0.000006761
 H     -0.946558      3.072284     -1.022702    0.00  -0.000011572   0.000002044   0.000004016
 H      0.811298      1.859867      0.262066    0.00  -0.000008977   0.000003269  -0.000006487
 H     -0.142490      2.875182      1.347591    0.00  -0.000006903  -0.000013520  -0.000006848
 H     -2.810955     -0.099057     -0.074177    0.00  -0.000045150   0.000042225  -0.000136949
 H     -1.381670      0.963888      2.235823    0.00   0.000078929   0.000144822   0.000071842
 H      0.324149      0.515529      2.227916    0.00  -0.000009428  -0.000047518  -0.000059446
 H     -0.392863      0.757048     -1.811009    0.00  -0.000001513   0.000023144  -0.000008197
 O     -0.997640     -1.611311      1.389107    0.00  -0.005391827   0.007792102  -0.001560047
 C     -1.820279     -1.538021     -1.351040    0.00   0.000152988   0.000044898  -0.000090415
 H     -2.097130     -2.412490     -0.741720    0.00   0.000011558   0.000025666   0.000047030
 H     -2.554999     -1.450379     -2.158067    0.00  -0.000015217  -0.000017362   0.000015897
 H     -0.846784     -1.754789     -1.804949    0.00  -0.000025699  -0.000017066  -0.000027199
 H      0.359203     -2.004344      0.897045    0.00   0.006682890   0.001184696  -0.004282120
 O      0.551401     -1.142018      0.077284    0.00   0.004293681  -0.005419942  -0.001253348
 O      1.768823     -0.518094      0.431675    0.00   0.003271514  -0.000025258   0.000131762
 C      2.424217     -0.183726     -0.773905    0.00   0.000677011   0.000030367  -0.000440512
 H      1.887399     -0.474213     -1.675330    0.00  -0.000014911   0.000001700  -0.000004631
 O      3.478929      0.375234     -0.628408    0.00   0.000069250   0.000248354  -0.000078834
26
 Energy =      -0.160461781615
 C     -0.199945      1.977844      0.701214    0.00   0.000015337  -0.000107880  -0.000032790
 C     -1.232748      2.195753     -0.410372    0.00   0.000022636  -0.000005425  -0.000014271
 C     -1.354976      0.954572     -1.301737    0.00   0.000082242  -0.000052692   0.000028210
 C     -1.780972     -0.278133     -0.488123    0.00   0.000142906   0.000071053  -0.000187716
 C     -0.885518     -0.473530      0.741224    0.00  -0.005555271  -0.002163678   0.004392535
 C     -0.528689      0.751530      1.555674    0.00   0.000052323   0.000086413  -0.000069753
 H     -2.090840      1.136711     -2.108393    0.00   0.000001071   0.000003502   0.000005079
 H     -2.217284      2.445809      0.030478    0.00   0.000001503  -0.000011331   0.000003956
 H     -0.946480      3.072266     -1.022730    0.00  -0.000007244   0.000001993   0.000002468
 H      0.811356      1.859844      0.262099    0.00  -0.000004730   0.000003608  -0.000002585
 H     -0.142449      2.875253      1.347638    0.00  -0.000004058  -0.000005213  -0.000004505
 H     -2.810697     -0.099298     -0.073394    0.00  -0.000019732   0.000020211  -0.000066461
 H     -1.382119      0.963068      2.235411    0.00   0.000039192   0.000068065   0.000032361
 H      0.324222      0.515798      2.228248    0.00  -0.000009466  -0.000023160  -0.000027447
 H     -0.392842      0.756906     -1.810955    0.00  -0.000002841   0.000013369  -0.000006088
 O     -0.995634     -1.614325      1.389753    0.00  -0.002793775   0.004384061  -0.001012351
 C     -1.820356     -1.538044     -1.350992    0.00   0.000078998   0.000025939  -0.000051948
 H     -2.097192     -2.412639     -0.742023    0.00   0.000005472   0.000014517   0.000027910
 H     -2.554899     -1.450271     -2.158166    0.00  -0.000009680  -0.000010087   0.000009041
 H     -0.846612     -1.754688     -1.804778    0.00  -0.000016772  -0.000010083  -0.000015767
 H      0.317315     -2.013442      0.924871    0.00   0.003911265   0.000709886  -0.002484721
 O      0.549879     -1.139855      0.077599    0.00   0.002050826  -0.003021331  -0.000387463
 O      1.767612     -0.518051      0.431606    0.00   0.001693435  -0.000094624   0.000112989
 C      2.423876     -0.183738     -0.773690    0.00   0.000363781   0.000007285  -0.000216145
 H      1.887472     -0.474226     -1.675298    0.00  -0.000006764   0.000000467  -0.000003808
 O      3.478918      0.375151     -0.628380    0.00  -0.000030657   0.000095132  -0.000030731
26
 Energy =      -0.160146677847
 C     -0.993468     -0.698795      0.000000    0.00  -0.000000344   0.000001305   0.000000341
 C     -2.026274     -0.480971     -1.111600    0.00   0.000001749  -0.000000153  -0.000000830
 C     -2.148552     -1.722112     -2.002998    0.00   0.000001130   0.000000013   0.000000050
 C     -2.574604     -2.954931     -1.189194    0.00  -0.000000081  -0.000000371   0.000000435
 C     -1.674161     -3.148404      0.036205    0.00  -0.000003143   0.000001400   0.000002687
 C     -1.322257     -1.925280      0.854509    0.00  -0.000000777   0.000000543   0.000000685
 H     -2.884361     -1.540053     -2.809682    0.00  -0.000000265   0.000000597  -0.000000252
 H     -3.010807     -0.230822     -0.670798    0.00  -0.000000209  -0.000001444   0.000000457
 H     -1.739926      0.395527     -1.723990    0.00  -0.000001195   0.000001022   0.000000466
 H      0.017906     -0.816939     -0.439120    0.00   0.000000390  -0.000001086   0.000000070
 H     -0.935914      0.198573      0.646440    0.00   0.000000249   0.000000280  -0.000000726
 H     -3.603993     -2.776211     -0.774012    0.00  -0.000000119   0.000000387  -0.000001397
 H     -2.175990     -1.714292      1.533839    0.00   0.000000571   0.000000336   0.000000275
 H     -0.469161     -2.160718      1.527240    0.00   0.000000477  -0.000000380  -0.000000640
 H     -1.186310     -1.919968     -2.512131    0.00   0.000000034  -0.000000483  -0.000000229
 O     -1.787495     -4.293939      0.689280    0.00   0.000001007  -0.000002222  -0.000002604
 C     -2.613934     -4.214796     -2.052186    0.00   0.000000950   0.000000217  -0.000000010
 H     -2.890728     -5.089508     -1.443576    0.00   0.000000665  -0.000000362   0.000000381
 H     -3.348309     -4.126899     -2.859498    0.00  -0.000000731  -0.000000290   0.000000305
 H     -1.639935     -4.431317     -2.505853    0.00  -0.000000514   0.000000342  -0.000000510
 H     -0.518328     -4.701059      0.252691    0.00   0.000000784   0.000000221   0.000001474
 O     -0.244777     -3.814408     -0.623714    0.00  -0.000000213  -0.000002540  -0.000000638
 O      0.973052     -3.194655     -0.269728    0.00  -0.000001548   0.000001785   0.000001259
 C      1.630068     -2.860445     -1.474737    0.00   0.000017997   0.000016150   0.000007603
 H      1.094049     -3.150961     -2.376518    0.00   0.000002613   0.000000433  -0.000001642
 O      2.685425     -2.301648     -1.329607    0.00  -0.000019477  -0.000015697  -0.000007012
26
 Energy =      -0.160493027576
 C     -0.199974      1.978024      0.701266    0.00  -0.000018347   0.000106500   0.000029748
 C     -1.232784      2.195763     -0.410349    0.00  -0.000019984   0.000006660   0.000012348
 C     -1.355111      0.954661     -1.301780    0.00  -0.000078652   0.000052954  -0.000024595
 C     -1.781220     -0.278271     -0.487786    0.00  -0.000146421  -0.000093625   0.000208897
 C     -0.875787     -0.469821      0.733665    0.00   0.005967798   0.002170164  -0.004526651
 C     -0.528809      0.751368      1.555823    0.00  -0.000085185  -0.000105100   0.000105877
 H     -2.090865      1.136640     -2.108492    0.00  -0.000001505  -0.000003373  -0.000004848
 H     -2.217313      2.446004      0.030406    0.00  -0.000001386   0.000008045  -0.000003106
 H     -0.946355      3.072245     -1.022771    0.00   0.000005114  -0.000000130  -0.000001602
 H      0.811473      1.859736      0.262140    0.00   0.000006568  -0.000006904   0.000001729
 H     -0.142363      2.875350      1.347722    0.00   0.000004430   0.000004487   0.000003786
 H     -2.810272     -0.099667     -0.072150    0.00   0.000023879  -0.000016959   0.000059093
 H     -1.382844      0.961805      2.234746    0.00  -0.000033414  -0.000059311  -0.000035013
 H      0.324472      0.516224      2.228711    0.00   0.000014595   0.000019795   0.000019196
 H     -0.392761      0.756615     -1.810828    0.00   0.000004714  -0.000015282   0.000006555
 O     -0.992339     -1.620096      1.391286    0.00   0.002296349  -0.004636155   0.001417818
 C     -1.820495     -1.538090     -1.350901    0.00  -0.000085593  -0.000028405   0.000055245
 H     -2.097247     -2.412920     -0.742650    0.00  -0.000000183  -0.000013753  -0.000033970
 H     -2.554702     -1.450070     -2.158350    0.00   0.000009855   0.000009865  -0.000009303
 H     -0.846241     -1.754488     -1.804448    0.00   0.000019370   0.000009833   0.000017252
 H      0.233046     -2.035219      0.982990    0.00  -0.004331071  -0.001393133   0.003183872
 O      0.547584     -1.135504      0.077452    0.00  -0.001597813   0.003767961  -0.000562214
 O      1.765508     -0.517802      0.431417    0.00  -0.001631620   0.000287211  -0.000170998
 C      2.423277     -0.183694     -0.773305    0.00  -0.000344943   0.000058310   0.000240041
 H      1.887643     -0.474238     -1.675258    0.00   0.000010492  -0.000000747  -0.000000114
 O      3.478949      0.375011     -0.628355    0.00   0.000012955  -0.000128908   0.000010957
26
 Energy =      -0.161552060826
 C     -0.199989      1.978102      0.701287    0.00  -0.000038081   0.000195056   0.000054618
 C     -1.232800      2.195767     -0.410339    0.00  -0.000042941   0.000011334   0.000026764
 C     -1.355169      0.954700     -1.301796    0.00  -0.000149636   0.000097622  -0.000039107
 C     -1.781329     -0.278353     -0.487610    0.00  -0.000264102  -0.000217349   0.000449829
 C     -0.871014     -0.468130      0.730076    0.00   0.012227533   0.004151006  -0.009070033
 C     -0.528878      0.751275      1.555913    0.00  -0.000172850  -0.000246299   0.000232073
 H     -2.090876      1.136599     -2.108531    0.00  -0.000002147  -0.000009700  -0.000007981
 H     -2.217326      2.446078      0.030378    0.00  -0.000002568   0.000017694  -0.000006595
 H     -0.946308      3.072242     -1.022785    0.00   0.000012044  -0.000002115  -0.000003773
 H      0.811530      1.859661      0.262154    0.00   0.000011644  -0.000014216   0.000002938
 H     -0.142319      2.875385      1.347760    0.00   0.000008686   0.000006519   0.000009244
 H     -2.810054     -0.099820     -0.071596    0.00   0.000051475  -0.000033785   0.000123186
 H     -1.383163      0.961267      2.234435    0.00  -0.000068455  -0.000117074  -0.000070726
 H      0.324629      0.516413      2.228885    0.00   0.000032235   0.000041546   0.000037839
 H     -0.392711      0.756468     -1.810759    0.00   0.000010277  -0.000030394   0.000015228
 O     -0.991030     -1.622882      1.392180    0.00   0.003993870  -0.009283514   0.003185308
 C     -1.820562     -1.538114     -1.350857    0.00  -0.000170475  -0.000059066   0.000109647
 H     -2.097247     -2.413058     -0.742974    0.00  -0.000000769  -0.000029354  -0.000070386
 H     -2.554606     -1.449974     -2.158438    0.00   0.000022064   0.000020813  -0.000019838
 H     -0.846050     -1.754389     -1.804285    0.00   0.000040735   0.000020187   0.000036862
 H      0.191173     -2.047519      1.012900    0.00  -0.008731415  -0.002741472   0.006364005
 O      0.546679     -1.133280      0.077075    0.00  -0.002985401   0.007614003  -0.001483400
 O      1.764552     -0.517609      0.431311    0.00  -0.003197480   0.000697739  -0.000350494
 C      2.423001     -0.183642     -0.773123    0.00  -0.000710292   0.000128652   0.000455012
 H      1.887742     -0.474239     -1.675249    0.00   0.000017436  -0.000000974   0.000002483
 O      3.478977      0.374943     -0.628352    0.00   0.000108613  -0.000216859   0.000017296
26
 Energy =      -0.163283370799
 C     -0.200005      1.978177      0.701309    0.00  -0.000058841   0.000274342   0.000080944
 C     -1.232817      2.195771     -0.410328    0.00  -0.000063242   0.000017479   0.000038692
 C     -1.355228      0.954738     -1.301810    0.00  -0.000218227   0.000134553  -0.000049656
 C     -1.781424     -0.278445     -0.487426    0.00  -0.000316094  -0.000364747   0.000687210
 C     -0.866093     -0.466538      0.726480    0.00   0.018353218   0.005575325  -0.013168120
 C     -0.528945      0.751170      1.556007    0.00  -0.000230746  -0.000409971   0.000352761
 H     -2.090887      1.136550     -2.108566    0.00  -0.000003558  -0.000015764  -0.000010334
 H     -2.217338      2.446161      0.030347    0.00  -0.000003736   0.000025487  -0.000009370
 H     -0.946250      3.072231     -1.022803    0.00   0.000018017  -0.000003645  -0.000005614
 H      0.811584      1.859593      0.262168    0.00   0.000015615  -0.000020626   0.000004410
 H     -0.142279      2.875412      1.347805    0.00   0.000011858   0.000007686   0.000014488
 H     -2.809791     -0.099981     -0.070993    0.00   0.000090617  -0.000051228   0.000194775
 H     -1.383494      0.960707      2.234088    0.00  -0.000104131  -0.000178781  -0.000114433
 H      0.324785      0.516617      2.229066    0.00   0.000047577   0.000065229   0.000057176
 H     -0.392661      0.756325     -1.810685    0.00   0.000014299  -0.000043546   0.000023346
 O     -0.989934     -1.625639      1.393178    0.00   0.004582548  -0.013262028   0.005178329
 C     -1.820630     -1.538138     -1.350814    0.00  -0.000251760  -0.000087386   0.000154239
 H     -2.097251     -2.413200     -0.743310    0.00  -0.000000996  -0.000044720  -0.000104715
 H     -2.554499     -1.449874     -2.158535    0.00   0.000033890   0.000031088  -0.000030567
 H     -0.845856     -1.754294     -1.804107    0.00   0.000058994   0.000028639   0.000056698
 H      0.149798     -2.060461      1.043024    0.00  -0.012430545  -0.004121655   0.009211250
 O      0.545816     -1.130993      0.076574    0.00  -0.004145077   0.011303467  -0.002742526
 O      1.763609     -0.517380      0.431206    0.00  -0.004577074   0.001220827  -0.000497176
 C      2.422721     -0.183583     -0.772943    0.00  -0.001026185   0.000242750   0.000657555
 H      1.887823     -0.474241     -1.675236    0.00   0.000024664  -0.000000796   0.000003152
 O      3.479013      0.374879     -0.628348    0.00   0.000178913  -0.000321980   0.000017485
26
 Energy =       -0.16556364572
 C     -0.200021      1.978252      0.701332    0.00  -0.000078867   0.000342875   0.000110981
 C     -1.232834      2.195776     -0.410317    0.00  -0.000080876   0.000024962   0.000048137
 C     -1.355290      0.954774     -1.301823    0.00  -0.000285106   0.000161250  -0.000057975
 C     -1.781498     -0.278554     -0.487231    0.00  -0.000270999  -0.000531788   0.000905117
 C     -0.860903     -0.465069      0.722827    0.00   0.024053768   0.006224538  -0.016554882
 C     -0.529003      0.751048      1.556104    0.00  -0.000228528  -0.000593521   0.000443528
 H     -2.090900      1.136496     -2.108598    0.00  -0.000005837  -0.000021284  -0.000011490
 H     -2.217351      2.446244      0.030317    0.00  -0.000004878   0.000031394  -0.000011231
 H     -0.946190      3.072218     -1.022822    0.00   0.000022807  -0.000005129  -0.000007015
 H      0.811633      1.859527      0.262183    0.00   0.000017235  -0.000023783   0.000006751
 H     -0.142242      2.875436      1.347855    0.00   0.000013439   0.000008383   0.000019647
 H     -2.809455     -0.100158     -0.070308    0.00   0.000144884  -0.000071321   0.000280466
 H     -1.383853      0.960087      2.233681    0.00  -0.000142576  -0.000251219  -0.000168972
 H      0.324940      0.516846      2.229266    0.00   0.000056388   0.000092821   0.000081504
 H     -0.392616      0.756183     -1.810607    0.00   0.000014962  -0.000052796   0.000029696
 O     -0.989108     -1.628371      1.394311    0.00   0.003859387  -0.016141497   0.007257491
 C     -1.820700     -1.538162     -1.350773    0.00  -0.000325632  -0.000110960   0.000183545
 H     -2.097256     -2.413350     -0.743658    0.00  -0.000002150  -0.000059100  -0.000133085
 H     -2.554385     -1.449770     -2.158638    0.00   0.000044392   0.000040102  -0.000040550
 H     -0.845663     -1.754201     -1.803916    0.00   0.000071345   0.000034198   0.000075091
 H      0.109199     -2.074149      1.073269    0.00  -0.014924297  -0.005358331   0.011338599
 O      0.544959     -1.128618      0.075951    0.00  -0.005198670   0.014488867  -0.004075211
 O      1.762661     -0.517103      0.431106    0.00  -0.005714420   0.001824731  -0.000573858
 C      2.422437     -0.183507     -0.772761    0.00  -0.001289824   0.000384308   0.000830515
 H      1.887903     -0.474242     -1.675226    0.00   0.000030107  -0.000000006   0.000003069
 O      3.479051      0.374810     -0.628344    0.00   0.000223947  -0.000437694   0.000020131
26
 Energy =      -0.168214212031
 C     -0.200040      1.978330      0.701359    0.00  -0.000097877   0.000399485   0.000147573
 C     -1.232853      2.195782     -0.410307    0.00  -0.000095262   0.000033471   0.000054919
 C     -1.355357      0.954809     -1.301836    0.00  -0.000351569   0.000175192  -0.000063842
 C     -1.781540     -0.278684     -0.487020    0.00  -0.000101093  -0.000714396   0.001093080
 C     -0.855300     -0.463761      0.719060    0.00   0.029088822   0.005979494  -0.019045775
 C     -0.529043      0.750902      1.556203    0.00  -0.000140829  -0.000796671   0.000479932
 H     -2.090919      1.136437     -2.108626    0.00  -0.000009532  -0.000025869  -0.000011183
 H     -2.217364      2.446327      0.030287    0.00  -0.000006034   0.000035107  -0.000011986
 H     -0.946129      3.072204     -1.022840    0.00   0.000026018  -0.000006498  -0.000007851
 H      0.811676      1.859468      0.262203    0.00   0.000016130  -0.000021959   0.000010327
 H     -0.142209      2.875457      1.347910    0.00   0.000012801   0.000008937   0.000024670
 H     -2.809007     -0.100365     -0.069480    0.00   0.000217192  -0.000095608   0.000385039
 H     -1.384264      0.959353      2.233176    0.00  -0.000185639  -0.000340105  -0.000236985
 H      0.325083      0.517120      2.229509    0.00   0.000055266   0.000125957   0.000114610
 H     -0.392581      0.756044     -1.810528    0.00   0.000011101  -0.000056789   0.000032902
 O     -0.988615     -1.631074      1.395612    0.00   0.001844834  -0.017657512   0.009256141
 C     -1.820776     -1.538188     -1.350732    0.00  -0.000389303  -0.000128034   0.000193502
 H     -2.097265     -2.413513     -0.744019    0.00  -0.000005412  -0.000071527  -0.000152375
 H     -2.554263     -1.449660     -2.158751    0.00   0.000052419   0.000047537  -0.000048981
 H     -0.845475     -1.754112     -1.803709    0.00   0.000075661   0.000035917   0.000090181
 H      0.069771     -2.088705      1.103498    0.00  -0.015965944  -0.006323876   0.012528275
 O      0.544057     -1.126126      0.075212    0.00  -0.006252653   0.016933382  -0.005271646
 O      1.761686     -0.516764      0.431014    0.00  -0.006574184   0.002482909  -0.000557717
 C      2.422143     -0.183410     -0.772571    0.00  -0.001487531   0.000546275   0.000964465
 H      1.887982     -0.474240     -1.675217    0.00   0.000032892   0.000001687   0.000002649
 O      3.479088      0.374731     -0.628341    0.00   0.000229725  -0.000566507   0.000030076
26
 Energy =      -0.171041364659
 C     -0.200061      1.978414      0.701393    0.00  -0.000116382   0.000442120   0.000193087
 C     -1.232873      2.195790     -0.410295    0.00  -0.000106256   0.000042090   0.000059435
 C     -1.355433      0.954844     -1.301849    0.00  -0.000418727   0.000173790  -0.000065297
 C     -1.781531     -0.278844     -0.486788    0.00   0.000216400  -0.000908542   0.001247291
 C     -0.849124     -0.462672      0.715128    0.00   0.033275921   0.004849053  -0.020557701
 C     -0.529054      0.750723      1.556295    0.00   0.000050724  -0.001022233   0.000439980
 H     -2.090947      1.136372     -2.108650    0.00  -0.000015331  -0.000029504  -0.000008868
 H     -2.217379      2.446412      0.030260    0.00  -0.000007185   0.000036394  -0.000011526
 H     -0.946065      3.072187     -1.022859    0.00   0.000027406  -0.000007700  -0.000008040
 H      0.811710      1.859424      0.262233    0.00   0.000012517  -0.000013838   0.000015146
 H     -0.142183      2.875479      1.347974    0.00   0.000009233   0.000009408   0.000029724
 H     -2.808392     -0.100623     -0.068432    0.00   0.000309256  -0.000125002   0.000511384
 H     -1.384757      0.958430      2.232524    0.00  -0.000234835  -0.000449236  -0.000320598
 H      0.325201      0.517462      2.229828    0.00   0.000042126   0.000166060   0.000159441
 H     -0.392563      0.755912     -1.810451    0.00   0.000002352  -0.000054653   0.000031677
 O     -0.988533     -1.633731      1.397114    0.00  -0.001187680  -0.017765920   0.010998452
 C     -1.820858     -1.538214     -1.350695    0.00  -0.000441635  -0.000138316   0.000182325
 H     -2.097284     -2.413690     -0.744391    0.00  -0.000011736  -0.000080622  -0.000160994
 H     -2.554134     -1.449541     -2.158874    0.00   0.000056924   0.000053464  -0.000055048
 H     -0.845299     -1.754029     -1.803486    0.00   0.000071108   0.000032944   0.000099815
 H      0.032008     -2.104220      1.133509    0.00  -0.015624203  -0.006930879   0.012761142
 O      0.543049     -1.123487      0.074360    0.00  -0.007370847   0.018532076  -0.006208249
 O      1.760664     -0.516345      0.430938    0.00  -0.007146686   0.003172475  -0.000440456
 C      2.421835     -0.183285     -0.772371    0.00  -0.001614430   0.000720405   0.001053753
 H      1.888059     -0.474233     -1.675210    0.00   0.000032076   0.000004541   0.000002701
 O      3.479120      0.374637     -0.628335    0.00   0.000189888  -0.000708375   0.000051424
26
 Energy =      -0.173876099921
 C     -0.200086      1.978504      0.701436    0.00  -0.000135462   0.000467674   0.000248715
 C     -1.232895      2.195799     -0.410283    0.00  -0.000114211   0.000049216   0.000062732
 C     -1.355522      0.954877     -1.301861    0.00  -0.000486873   0.000154577  -0.000058636
 C     -1.781444     -0.279043     -0.486529    0.00   0.000696432  -0.001110305   0.001370721
 C     -0.842224     -0.461884      0.710998    0.00   0.036484733   0.002982637  -0.021110625
 C     -0.529016      0.750497      1.556370    0.00   0.000354503  -0.001275570   0.000307118
 H     -2.090993      1.136299     -2.108665    0.00  -0.000024076  -0.000032659  -0.000003671
 H     -2.217397      2.446496      0.030234    0.00  -0.000008253   0.000035123  -0.000009826
 H     -0.946001      3.072167     -1.022878    0.00   0.000026916  -0.000008748  -0.000007554
 H      0.811734      1.859407      0.262274    0.00   0.000007177   0.000001347   0.000020811
 H     -0.142169      2.875501      1.348050    0.00   0.000001954   0.000009468   0.000035278
 H     -2.807538     -0.100956     -0.067061    0.00   0.000420958  -0.000159456   0.000659376
 H     -1.385374      0.957227      2.231656    0.00  -0.000290919  -0.000579204  -0.000420957
 H      0.325273      0.517908      2.230268    0.00   0.000016687   0.000214009   0.000217371
 H     -0.392572      0.755792     -1.810383    0.00  -0.000010801  -0.000046041   0.000024984
 O     -0.988952     -1.636305      1.398845    0.00  -0.004762063  -0.016649629   0.012332423
 C     -1.820950     -1.538242     -1.350662    0.00  -0.000483002  -0.000143026   0.000150791
 H     -2.097323     -2.413884     -0.744771    0.00  -0.000021763  -0.000084872  -0.000159170
 H     -2.553999     -1.449409     -2.159007    0.00   0.000057028   0.000058432  -0.000057961
 H     -0.845145     -1.753961     -1.803248    0.00   0.000058176   0.000024548   0.000101711
 H     -0.003531     -2.120662      1.163005    0.00  -0.014244998  -0.007127750   0.012192132
 O      0.541871     -1.120677      0.073391    0.00  -0.008551953   0.019302117  -0.006856398
 O      1.759580     -0.515824      0.430887    0.00  -0.007447922   0.003872379  -0.000228464
 C      2.421509     -0.183125     -0.772158    0.00  -0.001676327   0.000897010   0.001097620
 H      1.888129     -0.474218     -1.675201    0.00   0.000026738   0.000008705   0.000004257
 O      3.479143      0.374521     -0.628325    0.00   0.000107323  -0.000859982   0.000087222
26
 Energy =      -0.176600514858
 C     -0.200116      1.978601      0.701494    0.00  -0.000156208   0.000472436   0.000313617
 C     -1.232919      2.195809     -0.410270    0.00  -0.000119933   0.000052571   0.000066510
 C     -1.355630      0.954905     -1.301871    0.00  -0.000554692   0.000115830  -0.000039031
 C     -1.781236     -0.279292     -0.486237    0.00   0.001340895  -0.001315570   0.001471603
 C     -0.834482     -0.461503      0.706673    0.00   0.038632124   0.000659152  -0.020817564
 C     -0.528902      0.750206      1.556411    0.00   0.000765555  -0.001562024   0.000074115
 H     -2.091067      1.136215     -2.108663    0.00  -0.000036718  -0.000036310   0.000005538
 H     -2.217418      2.446577      0.030213    0.00  -0.000009160   0.000031349  -0.000006962
 H     -0.945938      3.072144     -1.022895    0.00   0.000024699  -0.000009727  -0.000006420
 H      0.811745      1.859436      0.262332    0.00   0.000001305   0.000023724   0.000026626
 H     -0.142178      2.875523      1.348144    0.00  -0.000009803   0.000008353   0.000042114
 H     -2.806353     -0.101392     -0.065247    0.00   0.000549431  -0.000197782   0.000824645
 H     -1.386163      0.955633      2.230486    0.00  -0.000353301  -0.000726207  -0.000537283
 H      0.325273      0.518500      2.230884    0.00  -0.000019254   0.000269437   0.000287475
 H     -0.392617      0.755696     -1.810336    0.00  -0.000027182  -0.000031138   0.000012209
 O     -0.989952     -1.638738      1.400817    0.00  -0.008328382  -0.014665209   0.013169255
 C     -1.821053     -1.538272     -1.350635    0.00  -0.000514667  -0.000144410   0.000102237
 H     -2.097393     -2.414089     -0.745150    0.00  -0.000035722  -0.000083216  -0.000148843
 H     -2.553864     -1.449260     -2.159148    0.00   0.000052088   0.000063508  -0.000056996
 H     -0.845024     -1.753917     -1.803008    0.00   0.000038371   0.000010164   0.000093871
 H     -0.036314     -2.137772      1.191580    0.00  -0.012317774  -0.006912597   0.011083709
 O      0.540460     -1.117689      0.072302    0.00  -0.009725727   0.019351972  -0.007267608
 O      1.758422     -0.515173      0.430872    0.00  -0.007516536   0.004561277   0.000058908
 C      2.421162     -0.182923     -0.771932    0.00  -0.001688982   0.001065176   0.001101015
 H      1.888183     -0.474190     -1.675186    0.00   0.000016212   0.000014139   0.000008253
 O      3.479151      0.374376     -0.628308    0.00  -0.000006641  -0.001014897   0.000139004
26
 Energy =       -0.17915338067
 C     -0.200153      1.978703      0.701571    0.00  -0.000178881   0.000453342   0.000384312
 C     -1.232946      2.195821     -0.410255    0.00  -0.000124582   0.000049508   0.000072939
 C     -1.355759      0.954924     -1.301876    0.00  -0.000618728   0.000057543  -0.000001913
 C     -1.780856     -0.279603     -0.485904    0.00   0.002132250  -0.001519754   0.001560172
 C     -0.825862     -0.461627      0.702196    0.00   0.039689139  -0.001766724  -0.019859662
 C     -0.528680      0.749828      1.556392    0.00   0.001263539  -0.001882526  -0.000252631
 H     -2.091184      1.136113     -2.108630    0.00  -0.000054143  -0.000041816   0.000019907
 H     -2.217443      2.446652      0.030200    0.00  -0.000009890   0.000025410  -0.000003117
 H     -0.945878      3.072117     -1.022909    0.00   0.000021098  -0.000010786  -0.000004707
 H      0.811742      1.859535      0.262408    0.00  -0.000003819   0.000052749   0.000031844
 H     -0.142225      2.875540      1.348266    0.00  -0.000026580   0.000004987   0.000051235
 H     -2.804736     -0.101961     -0.062864    0.00   0.000688449  -0.000237793   0.000997948
 H     -1.387174      0.953533      2.228915    0.00  -0.000419468  -0.000881669  -0.000665816
 H      0.325168      0.519284      2.231738    0.00  -0.000062037   0.000329957   0.000366046
 H     -0.392711      0.755640     -1.810328    0.00  -0.000045297  -0.000010647  -0.000006682
 O     -0.991579     -1.640964      1.403021    0.00  -0.011426929  -0.012233371   0.013507999
 C     -1.821168     -1.538304     -1.350619    0.00  -0.000537826  -0.000144991   0.000042098
 H     -2.097508     -2.414296     -0.745521    0.00  -0.000053336  -0.000075690  -0.000133112
 H     -2.553741     -1.449086     -2.159291    0.00   0.000041797   0.000070222  -0.000051564
 H     -0.844955     -1.753916     -1.802786    0.00   0.000013648  -0.000010449   0.000075216
 H     -0.065994     -2.155035      1.218779    0.00  -0.010298341  -0.006352283   0.009719491
 O      0.538767     -1.114539      0.071084    0.00  -0.010773513   0.018838503  -0.007539264
 O      1.757190     -0.514367      0.430909    0.00  -0.007407156   0.005216549   0.000393223
 C      2.420793     -0.182672     -0.771693    0.00  -0.001674314   0.001213975   0.001074593
 H      1.888205     -0.474144     -1.675155    0.00   0.000000365   0.000020559   0.000015157
 O      3.479140      0.374197     -0.628279    0.00  -0.000135445  -0.001164804   0.000206289
26
 Energy =      -0.181517480044
 C     -0.200198      1.978805      0.701671    0.00  -0.000202239   0.000409595   0.000455021
 C     -1.232976      2.195831     -0.410236    0.00  -0.000129453   0.000037618   0.000084253
 C     -1.355912      0.954929     -1.301870    0.00  -0.000673723  -0.000017848   0.000055249
 C     -1.780245     -0.279987     -0.485524    0.00   0.003030796  -0.001717802   0.001644516
 C     -0.816428     -0.462314      0.697646    0.00   0.039693279  -0.003959033  -0.018443809
 C     -0.528315      0.749341      1.556286    0.00   0.001814799  -0.002229400  -0.000651338
 H     -2.091368      1.135983     -2.108546    0.00  -0.000076909  -0.000050575   0.000040226
 H     -2.217471      2.446713      0.030198    0.00  -0.000010513   0.000017947   0.000001428
 H     -0.945824      3.072085     -1.022919    0.00   0.000016571  -0.000012124  -0.000002510
 H      0.811726      1.859732      0.262504    0.00  -0.000007201   0.000087272   0.000035939
 H     -0.142330      2.875545      1.348427    0.00  -0.000048463  -0.000001717   0.000063590
 H     -2.802594     -0.102687     -0.059805    0.00   0.000828961  -0.000276835   0.001166122
 H     -1.388455      0.950827      2.226847    0.00  -0.000484878  -0.001033509  -0.000799545
 H      0.324931      0.520304      2.232887    0.00  -0.000106999   0.000390938   0.000446885
 H     -0.392865      0.755645     -1.810380    0.00  -0.000063762   0.000014303  -0.000031090
 O     -0.993829     -1.642920      1.405422    0.00  -0.013801585  -0.009716193   0.013424324
 C     -1.821298     -1.538339     -1.350617    0.00  -0.000552849  -0.000146917  -0.000023140
 H     -2.097688     -2.414491     -0.745873    0.00  -0.000073804  -0.000063628  -0.000115331
 H     -2.553644     -1.448874     -2.159423    0.00   0.000026273   0.000080299  -0.000041311
 H     -0.844954     -1.753982     -1.802613    0.00  -0.000014173  -0.000037016   0.000046093
 H     -0.092519     -2.171792      1.244211    0.00  -0.008480753  -0.005574376   0.008330165
 O      0.536773     -1.111267      0.069725    0.00  -0.011567309   0.017922882  -0.007772549
 O      1.755891     -0.513384      0.431010    0.00  -0.007179613   0.005815567   0.000742501
 C      2.420398     -0.182369     -0.771443    0.00  -0.001653779   0.001334754   0.001033176
 H      1.888178     -0.474076     -1.675098    0.00  -0.000020204   0.000027488   0.000024813
 O      3.479104      0.373977     -0.628236    0.00  -0.000262468  -0.001301689   0.000286323
26
 Energy =      -0.183699516419
 C     -0.200253      1.978902      0.701796    0.00  -0.000223524   0.000343579   0.000519136
 C     -1.233010      2.195838     -0.410212    0.00  -0.000135693   0.000015358   0.000102263
 C     -1.356091      0.954913     -1.301847    0.00  -0.000713920  -0.000105680   0.000131830
 C     -1.779343     -0.280453     -0.485090    0.00   0.003979579  -0.001904420   0.001727523
 C     -0.806332     -0.463566      0.693119    0.00   0.038747925  -0.005688794  -0.016757093
 C     -0.527775      0.748722      1.556062    0.00   0.002379156  -0.002585389  -0.001088297
 H     -2.091646      1.135810     -2.108383    0.00  -0.000105001  -0.000063567   0.000066639
 H     -2.217504      2.446755      0.030210    0.00  -0.000011138   0.000009767   0.000006351
 H     -0.945781      3.072045     -1.022923    0.00   0.000011588  -0.000013939   0.000000082
 H      0.811702      1.860057      0.262618    0.00  -0.000008338   0.000125724   0.000038762
 H     -0.142519      2.875524      1.348646    0.00  -0.000074949  -0.000012449   0.000079736
 H     -2.799855     -0.103589     -0.056002    0.00   0.000960856  -0.000312477   0.001314765
 H     -1.390035      0.947455      2.224203    0.00  -0.000543632  -0.001168882  -0.000929228
 H      0.324541      0.521589      2.234375    0.00  -0.000149597   0.000446309   0.000522551
 H     -0.393087      0.755731     -1.810519    0.00  -0.000081597   0.000042327  -0.000059908
 O     -0.996652     -1.644562      1.407975    0.00  -0.015403082  -0.007345979   0.013029728
 C     -1.821441     -1.538377     -1.350631    0.00  -0.000559192  -0.000151754  -0.000087254
 H     -2.097947     -2.414662     -0.746200    0.00  -0.000095922  -0.000049189  -0.000098267
 H     -2.553593     -1.448606     -2.159527    0.00   0.000006067   0.000095214  -0.000026201
 H     -0.845042     -1.754143     -1.802529    0.00  -0.000043696  -0.000068658   0.000008259
 H     -0.116122     -2.187458      1.267671    0.00  -0.006979234  -0.004722376   0.007058577
 O      0.534492     -1.107925      0.068205    0.00  -0.012007735   0.016739139  -0.008040579
 O      1.754534     -0.512211      0.431186    0.00  -0.006887068   0.006338416   0.001076881
 C      2.419975     -0.182014     -0.771183    0.00  -0.001642132   0.001423119   0.000992630
 H      1.888079     -0.473981     -1.675004    0.00  -0.000044181   0.000034414   0.000036608
 O      3.479043      0.373714     -0.628172    0.00  -0.000375540  -0.001419812   0.000374508
26
 Energy =      -0.185713451167
 C     -0.200317      1.978987      0.701948    0.00  -0.000239173   0.000260429   0.000571012
 C     -1.233049      2.195838     -0.410180    0.00  -0.000144025  -0.000017651   0.000128040
 C     -1.356293      0.954870     -1.301797    0.00  -0.000734584  -0.000200193   0.000224270
 C     -1.778103     -0.281007     -0.484598    0.00   0.004914965  -0.002074404   0.001806673
 C     -0.795773     -0.465328      0.688705    0.00   0.037002213  -0.006865281  -0.014940419
 C     -0.527036      0.747954      1.555698    0.00   0.002918006  -0.002926862  -0.001525272
 H     -2.092047      1.135571     -2.108110    0.00  -0.000137745  -0.000081031   0.000098549
 H     -2.217542      2.446773      0.030239    0.00  -0.000011851   0.000001618   0.000011363
 H     -0.945751      3.071995     -1.022918    0.00   0.000006535  -0.000016379   0.000002990
 H      0.811676      1.860541      0.262749    0.00  -0.000007180   0.000166350   0.000040493
 H     -0.142817      2.875459      1.348942    0.00  -0.000104996  -0.000027249   0.000099614
 H     -2.796482     -0.104675     -0.051440    0.00   0.001074931  -0.000342930   0.001431257
 H     -1.391925      0.943398      2.220931    0.00  -0.000589697  -0.001276895  -0.001045144
 H      0.323987      0.523145      2.236219    0.00  -0.000186171   0.000490016   0.000586001
 H     -0.393385      0.755921     -1.810770    0.00  -0.000098251   0.000071961  -0.000091759
 O     -0.999971     -1.645871      1.410635    0.00  -0.016312585  -0.005228479   0.012431298
 C     -1.821596     -1.538421     -1.350664    0.00  -0.000555911  -0.000160623  -0.000145312
 H     -2.098303     -2.414799     -0.746501    0.00  -0.000118299  -0.000034569  -0.000083694
 H     -2.553613     -1.448258     -2.159582    0.00  -0.000017921   0.000115768  -0.000006576
 H     -0.845237     -1.754429     -1.802575    0.00  -0.000073865  -0.000103975  -0.000035659
 H     -0.137215     -2.201677      1.289169    0.00  -0.005789856  -0.003907267   0.005965843
 O      0.531971     -1.104571      0.066495    0.00  -0.012043178   0.015383656  -0.008377693
 O      1.753129     -0.510841      0.431443    0.00  -0.006568393   0.006769977   0.001372542
 C      2.419518     -0.181609     -0.770911    0.00  -0.001644779   0.001479366   0.000966390
 H      1.887890     -0.473856     -1.674861    0.00  -0.000069785   0.000040934   0.000049775
 O      3.478954      0.373407     -0.628084    0.00  -0.000468403  -0.001516286   0.000465419
26
 Energy =       -0.18757163786
 C     -0.200391      1.979051      0.702126    0.00  -0.000245744   0.000166732   0.000607132
 C     -1.233094      2.195826     -0.410137    0.00  -0.000154581  -0.000060787   0.000161871
 C     -1.356515      0.954795     -1.301714    0.00  -0.000732965  -0.000295823   0.000327219
 C     -1.776486     -0.281656     -0.484042    0.00   0.005776917  -0.002222937   0.001875921
 C     -0.784956     -0.467509      0.684476    0.00   0.034623201  -0.007509356  -0.013087622
 C     -0.526081      0.747025      1.555175    0.00   0.003399836  -0.003229089  -0.001926753
 H     -2.092607      1.135242     -2.107691    0.00  -0.000173889  -0.000102394   0.000134741
 H     -2.217586      2.446765      0.030289    0.00  -0.000012672  -0.000005971   0.000016275
 H     -0.945737      3.071930     -1.022901    0.00   0.000001664  -0.000019503   0.000006148
 H      0.811656      1.861213      0.262896    0.00  -0.000003961   0.000207382   0.000041478
 H     -0.143252      2.875329      1.349341    0.00  -0.000137186  -0.000045471   0.000122511
 H     -2.792462     -0.105950     -0.046149    0.00   0.001164053  -0.000367074   0.001506721
 H     -1.394110      0.938674      2.217009    0.00  -0.000618030  -0.001350071  -0.001138597
 H      0.323272      0.524961      2.238417    0.00  -0.000214098   0.000517329   0.000631776
 H     -0.393765      0.756233     -1.811160    0.00  -0.000113460   0.000101776  -0.000125189
 O     -1.003710     -1.646841      1.413368    0.00  -0.016659021  -0.003386362   0.011712040
 C     -1.821762     -1.538472     -1.350715    0.00  -0.000542266  -0.000174414  -0.000194117
 H     -2.098767     -2.414898     -0.746782    0.00  -0.000139582  -0.000021468  -0.000072442
 H     -2.553725     -1.447796     -2.159564    0.00  -0.000044556   0.000141834   0.000016853
 H     -0.845556     -1.754869     -1.802788    0.00  -0.000103772  -0.000141234  -0.000082804
 H     -0.156272     -2.214351      1.308887    0.00  -0.004860272  -0.003188378   0.005058193
 O      0.529277     -1.101256      0.064557    0.00  -0.011669253   0.013921122  -0.008785156
 O      1.751679     -0.509269      0.431783    0.00  -0.006246929   0.007100309   0.001613162
 C      2.419019     -0.181158     -0.770621    0.00  -0.001659106   0.001507281   0.000963133
 H      1.887593     -0.473698     -1.674657    0.00  -0.000095101   0.000046819   0.000063600
 O      3.478840      0.373055     -0.627969    0.00  -0.000539227  -0.001590251   0.000553906
26
 Energy =      -0.189282373961
 C     -0.200471      1.979090      0.702329    0.00  -0.000240584   0.000069250   0.000626379
 C     -1.233147      2.195798     -0.410077    0.00  -0.000166849  -0.000112789   0.000203393
 C     -1.356752      0.954683     -1.301589    0.00  -0.000708524  -0.000388035   0.000434741
 C     -1.774466     -0.282405     -0.483418    0.00   0.006514977  -0.002345760   0.001927944
 C     -0.774066     -0.470013      0.680487    0.00   0.031775039  -0.007704952  -0.011259209
 C     -0.524898      0.745925      1.554485    0.00   0.003802143  -0.003470625  -0.002264286
 H     -2.093360      1.134796     -2.107089    0.00  -0.000211733  -0.000126411   0.000173576
 H     -2.217637      2.446728      0.030362    0.00  -0.000013556  -0.000012759   0.000021029
 H     -0.945740      3.071847     -1.022871    0.00  -0.000002903  -0.000023281   0.000009504
 H      0.811650      1.862100      0.263059    0.00   0.000000949   0.000247097   0.000042094
 H     -0.143852      2.875111      1.349867    0.00  -0.000169890  -0.000065942   0.000147181
 H     -2.787808     -0.107415     -0.040195    0.00   0.001223407  -0.000384263   0.001536517
 H     -1.396557      0.933334      2.212443    0.00  -0.000625198  -0.001384500  -0.001202708
 H      0.322409      0.527002      2.240944    0.00  -0.000231588   0.000525501   0.000656424
 H     -0.394235      0.756687     -1.811714    0.00  -0.000127085   0.000130411  -0.000158743
 O     -1.007801     -1.647474      1.416152    0.00  -0.016569368  -0.001802458   0.010929190
 C     -1.821936     -1.538532     -1.350786    0.00  -0.000518112  -0.000193873  -0.000232180
 H     -2.099350     -2.414959     -0.747049    0.00  -0.000158594  -0.000010957  -0.000064679
 H     -2.553954     -1.447184     -2.159447    0.00  -0.000072557   0.000172349   0.000043047
 H     -0.846017     -1.755494     -1.803206    0.00  -0.000132519  -0.000178533  -0.000130499
 H     -0.173741     -2.225552      1.327100    0.00  -0.004130753  -0.002582401   0.004314116
 O      0.526490     -1.098022      0.062344    0.00  -0.010919096   0.012396427  -0.009241567
 O      1.750182     -0.507494      0.432203    0.00  -0.005933620   0.007323669   0.001789386
 C      2.418473     -0.180663     -0.770303    0.00  -0.001677590   0.001512434   0.000986072
 H      1.887175     -0.473505     -1.674382    0.00  -0.000118342   0.000051996   0.000077454
 O      3.478701      0.372658     -0.627822    0.00  -0.000588055  -0.001641593   0.000635822
26
 Energy =      -0.190850735244
 C     -0.200553      1.979097      0.702553    0.00  -0.000222136  -0.000025865   0.000629726
 C     -1.233209      2.195747     -0.409996    0.00  -0.000179721  -0.000172106   0.000251782
 C     -1.356997      0.954529     -1.301415    0.00  -0.000662736  -0.000473539   0.000541045
 C     -1.772027     -0.283261     -0.482724    0.00   0.007089977  -0.002439219   0.001955606
 C     -0.763267     -0.472749      0.676777    0.00   0.028610245  -0.007558391  -0.009498018
 C     -0.523479      0.744653      1.553626    0.00   0.004111000  -0.003635661  -0.002517883
 H     -2.094342      1.134205     -2.106265    0.00  -0.000249263  -0.000151369   0.000213148
 H     -2.217696      2.446660      0.030461    0.00  -0.000014402  -0.000018775   0.000025681
 H     -0.945761      3.071738     -1.022823    0.00  -0.000007156  -0.000027608   0.000013016
 H      0.811667      1.863232      0.263239    0.00   0.000007116   0.000283819   0.000042664
 H     -0.144644      2.874785      1.350548    0.00  -0.000201371  -0.000087173   0.000172004
 H     -2.782551     -0.109070     -0.033671    0.00   0.001250278  -0.000394119   0.001519839
 H     -1.399213      0.927449      2.207265    0.00  -0.000609525  -0.001379349  -0.001232665
 H      0.321420      0.529219      2.243759    0.00  -0.000237413   0.000513821   0.000658375
 H     -0.394801      0.757300     -1.812460    0.00  -0.000139011   0.000156550  -0.000190945
 O     -1.012193     -1.647770      1.418974    0.00  -0.016149708  -0.000447356   0.010120102
 C     -1.822115     -1.538606     -1.350874    0.00  -0.000484058  -0.000219621  -0.000259500
 H     -2.100060     -2.414988     -0.747314    0.00  -0.000174374  -0.000003588  -0.000060177
 H     -2.554324     -1.446380     -2.159205    0.00  -0.000100547   0.000205425   0.000070690
 H     -0.846639     -1.756331     -1.803862    0.00  -0.000159172  -0.000213897  -0.000176384
 H     -0.190017     -2.235436      1.344099    0.00  -0.003549597  -0.002081823   0.003702932
 O      0.523695     -1.094907      0.059805    0.00  -0.009853506   0.010845326  -0.009710865
 O      1.748631     -0.505512      0.432699    0.00  -0.005631459   0.007437185   0.001897361
 C      2.417871     -0.180124     -0.769943    0.00  -0.001690680   0.001500802   0.001033412
 H      1.886627     -0.473275     -1.674024    0.00  -0.000137979   0.000056502   0.000090739
 O      3.478540      0.372213     -0.627641    0.00  -0.000614803  -0.001669968   0.000708314
26
 Energy =      -0.192280351076
 C     -0.200635      1.979070      0.702799    0.00  -0.000190012  -0.000113381   0.000619714
 C     -1.233282      2.195667     -0.409886    0.00  -0.000191597  -0.000237118   0.000305884
 C     -1.357245      0.954328     -1.301183    0.00  -0.000598785  -0.000550129   0.000640745
 C     -1.769162     -0.284231     -0.481956    0.00   0.007473567  -0.002500271   0.001952585
 C     -0.752698     -0.475644      0.673377    0.00   0.025269648  -0.007174124  -0.007840436
 C     -0.521822      0.743209      1.552603    0.00   0.004319939  -0.003714847  -0.002675900
 H     -2.095591      1.133441     -2.105179    0.00  -0.000284250  -0.000175286   0.000251369
 H     -2.217765      2.446560      0.030592    0.00  -0.000015076  -0.000024255   0.000030378
 H     -0.945804      3.071598     -1.022753    0.00  -0.000011158  -0.000032330   0.000016659
 H      0.811717      1.864635      0.263439    0.00   0.000014072   0.000315902   0.000043407
 H     -0.145653      2.874329      1.351407    0.00  -0.000229855  -0.000107536   0.000195164
 H     -2.776739     -0.110914     -0.026696    0.00   0.001243805  -0.000396438   0.001459103
 H     -1.402004      0.921107      2.201533    0.00  -0.000571029  -0.001336362  -0.001225780
 H      0.320341      0.531552      2.246805    0.00  -0.000230742   0.000483341   0.000637640
 H     -0.395473      0.758085     -1.813423    0.00  -0.000149073   0.000178894  -0.000220260
 O     -1.016851     -1.647726      1.421831    0.00  -0.015482660   0.000706757   0.009308872
 C     -1.822297     -1.538699     -1.350980    0.00  -0.000441540  -0.000252111  -0.000277324
 H     -2.100904     -2.414994     -0.747591    0.00  -0.000186143   0.000000454  -0.000058500
 H     -2.554858     -1.445341     -2.158810    0.00  -0.000127078   0.000238518   0.000098237
 H     -0.847438     -1.757406     -1.804787    0.00  -0.000182760  -0.000245335  -0.000218390
 H     -0.205420     -2.244168      1.360151    0.00  -0.003076199  -0.001669924   0.003194752
 O      0.520979     -1.091946      0.056885    0.00  -0.008553880   0.009301586  -0.010147050
 O      1.747016     -0.503320      0.433266    0.00  -0.005339350   0.007439956   0.001937191
 C      2.417207     -0.179539     -0.769526    0.00  -0.001688743   0.001477956   0.001099281
 H      1.885945     -0.473001     -1.673571    0.00  -0.000152776   0.000060465   0.000102819
 O      3.478358      0.371721     -0.627424    0.00  -0.000618325  -0.001674384   0.000769840
26
 Energy =      -0.193574984304
 C     -0.200707      1.979004      0.703063    0.00  -0.000144942  -0.000189066   0.000599912
 C     -1.233367      2.195549     -0.409741    0.00  -0.000200559  -0.000306219   0.000364285
 C     -1.357487      0.954074     -1.300885    0.00  -0.000521308  -0.000616363   0.000728848
 C     -1.765878     -0.285321     -0.481118    0.00   0.007647546  -0.002526567   0.001913590
 C     -0.742488     -0.478638      0.670313    0.00   0.021885033  -0.006643130  -0.006321817
 C     -0.519923      0.741599      1.551426    0.00   0.004429070  -0.003705437  -0.002734608
 H     -2.097140      1.132482     -2.103791    0.00  -0.000314339  -0.000196074   0.000286023
 H     -2.217844      2.446420      0.030761    0.00  -0.000015429  -0.000029580   0.000035321
 H     -0.945872      3.071418     -1.022657    0.00  -0.000015020  -0.000037254   0.000020425
 H      0.811811      1.866335      0.263665    0.00   0.000021327   0.000341747   0.000044428
 H     -0.146904      2.873728      1.352468    0.00  -0.000253581  -0.000125421   0.000214811
 H     -2.770443     -0.112942     -0.019409    0.00   0.001204891  -0.000391196   0.001359475
 H     -1.404835      0.914416      2.195339    0.00  -0.000511327  -0.001259567  -0.001181602
 H      0.319220      0.533926      2.250007    0.00  -0.000211124   0.000436533   0.000595555
 H     -0.396262      0.759055     -1.814627    0.00  -0.000157037   0.000196164  -0.000245075
 O     -1.021748     -1.647332      1.424725    0.00  -0.014630950   0.001680474   0.008511362
 C     -1.822477     -1.538817     -1.351102    0.00  -0.000392857  -0.000291543  -0.000287982
 H     -2.101885     -2.414988     -0.747895    0.00  -0.000193269   0.000001227  -0.000059091
 H     -2.555578     -1.444031     -2.158236    0.00  -0.000150680   0.000268612   0.000123955
 H     -0.848431     -1.758742     -1.806012    0.00  -0.000202297  -0.000270900  -0.000254678
 H     -0.220193     -2.251889      1.375472    0.00  -0.002680173  -0.001329346   0.002764735
 O      0.518428     -1.089172      0.053530    0.00  -0.007116735   0.007800600  -0.010497478
 O      1.745327     -0.500917      0.433894    0.00  -0.005054774   0.007332844   0.001911764
 C      2.416481     -0.178905     -0.769034    0.00  -0.001663266   0.001448686   0.001174740
 H      1.885131     -0.472680     -1.673013    0.00  -0.000161788   0.000064086   0.000112986
 O      3.478160      0.371180     -0.627165    0.00  -0.000596410  -0.001653309   0.000820118
26
 Energy =      -0.194739504523
 C     -0.200764      1.978897      0.703345    0.00  -0.000088682  -0.000249722   0.000574388
 C     -1.233465      2.195384     -0.409551    0.00  -0.000204618  -0.000377833   0.000425328
 C     -1.357718      0.953764     -1.300516    0.00  -0.000436155  -0.000671239   0.000800701
 C     -1.762195     -0.286537     -0.480214    0.00   0.007603965  -0.002516638   0.001834570
 C     -0.732753     -0.481691      0.667596    0.00   0.018579607  -0.006038065  -0.004976598
 C     -0.517782      0.739835      1.550112    0.00   0.004444614  -0.003611259  -0.002697932
 H     -2.099016      1.131310     -2.102067    0.00  -0.000337188  -0.000211715   0.000314817
 H     -2.217932      2.446235      0.030979    0.00  -0.000015317  -0.000035190   0.000040723
 H     -0.945969      3.071190     -1.022529    0.00  -0.000018869  -0.000042158   0.000024319
 H      0.811956      1.868350      0.263921    0.00   0.000028385   0.000359894   0.000045691
 H     -0.148412      2.872968      1.353746    0.00  -0.000270888  -0.000139385   0.000229256
 H     -2.763755     -0.115145     -0.011971    0.00   0.001136256  -0.000378651   0.001228544
 H     -1.407590      0.907501      2.188813    0.00  -0.000433553  -0.001155160  -0.001102133
 H      0.318127      0.536258      2.253273    0.00  -0.000178593   0.000376937   0.000534631
 H     -0.397175      0.760214     -1.816091    0.00  -0.000162588   0.000207163  -0.000263752
 O     -1.026858     -1.646573      1.427659    0.00  -0.013642450   0.002485986   0.007738471
 C     -1.822654     -1.538969     -1.351243    0.00  -0.000341184  -0.000337755  -0.000294712
 H     -2.103002     -2.414987     -0.748240    0.00  -0.000195238  -0.000001038  -0.000061317
 H     -2.556503     -1.442417     -2.157462    0.00  -0.000169930   0.000292445   0.000145998
 H     -0.849632     -1.760352     -1.807562    0.00  -0.000216815  -0.000288810  -0.000283626
 H     -0.234511     -2.258697      1.390222    0.00  -0.002339758  -0.001045775   0.002394232
 O      0.516120     -1.086616      0.049697    0.00  -0.005647205   0.006379730  -0.010707020
 O      1.743551     -0.498304      0.434571    0.00  -0.004775247   0.007118933   0.001825998
 C      2.415692     -0.178215     -0.768451    0.00  -0.001607687   0.001416816   0.001248853
 H      1.884192     -0.472303     -1.672343    0.00  -0.000164365   0.000067638   0.000120472
 O      3.477953      0.370590     -0.626861    0.00  -0.000546498  -0.001605150   0.000860099
26
 Energy =      -0.195780219627
 C     -0.200794      1.978750      0.703647    0.00  -0.000023832  -0.000293299   0.000547131
 C     -1.233574      2.195161     -0.409304    0.00  -0.000202067  -0.000450346   0.000487132
 C     -1.357929      0.953390     -1.300069    0.00  -0.000350035  -0.000713947   0.000852024
 C     -1.758156     -0.287882     -0.479257    0.00   0.007346028  -0.002470167   0.001713206
 C     -0.723595     -0.484773      0.665228    0.00   0.015463508  -0.005411306  -0.003834109
 C     -0.515400      0.737932      1.548685    0.00   0.004378557  -0.003442418  -0.002577171
 H     -2.101233      1.129921     -2.099979    0.00  -0.000350666  -0.000220462   0.000335504
 H     -2.218029      2.445989      0.031260    0.00  -0.000014628  -0.000041510   0.000046758
 H     -0.946103      3.070903     -1.022359    0.00  -0.000022828  -0.000046807   0.000028357
 H      0.812164      1.870694      0.264216    0.00   0.000034783   0.000369199   0.000047010
 H     -0.150185      2.872045      1.355250    0.00  -0.000280367  -0.000148311   0.000237184
 H     -2.756797     -0.117508     -0.004564    0.00   0.001042482  -0.000359457   0.001075914
 H     -1.410130      0.900500      2.182123    0.00  -0.000342205  -0.001031299  -0.000992001
 H      0.317154      0.538453      2.256485    0.00  -0.000133887   0.000308803   0.000458447
 H     -0.398223      0.761559     -1.817827    0.00  -0.000165353   0.000210912  -0.000274761
 O     -1.032155     -1.645430      1.430636    0.00  -0.012554946   0.003128505   0.006997921
 C     -1.822823     -1.539166     -1.351403    0.00  -0.000290422  -0.000390071  -0.000301402
 H     -2.104246     -2.415010     -0.748644    0.00  -0.000191674  -0.000005965  -0.000064483
 H     -2.557646     -1.440488     -2.156472    0.00  -0.000183599   0.000306838   0.000162541
 H     -0.851048     -1.762241     -1.809456    0.00  -0.000225457  -0.000297625  -0.000303891
 H     -0.248482     -2.264659      1.404508    0.00  -0.002040206  -0.000808770   0.002070364
 O      0.514122     -1.084309      0.045360    0.00  -0.004249305   0.005075602  -0.010724455
 O      1.741676     -0.495487      0.435284    0.00  -0.004498754   0.006804359   0.001686418
 C      2.414849     -0.177459     -0.767761    0.00  -0.001518139   0.001385034   0.001309881
 H      1.883147     -0.471857     -1.671555    0.00  -0.000160199   0.000071454   0.000124502
 O      3.477748      0.369956     -0.626506    0.00  -0.000466791  -0.001528945   0.000891978
26
 Energy =      -0.196704529567
 C     -0.200787      1.978563      0.703970    0.00   0.000046469  -0.000319027   0.000521392
 C     -1.233694      2.194865     -0.408990    0.00  -0.000191936  -0.000522046   0.000547601
 C     -1.358116      0.952947     -1.299542    0.00  -0.000269956  -0.000743725   0.000879132
 C     -1.753827     -0.289357     -0.478265    0.00   0.006888999  -0.002388225   0.001549673
 C     -0.715093     -0.487863      0.663188    0.00   0.012625056  -0.004794895  -0.002912092
 C     -0.512780      0.735911      1.547172    0.00   0.004247731  -0.003214327  -0.002390027
 H     -2.103791      1.128323     -2.097517    0.00  -0.000353145  -0.000221074   0.000346091
 H     -2.218130      2.445662      0.031622    0.00  -0.000013311  -0.000048847   0.000053515
 H     -0.946283      3.070549     -1.022139    0.00  -0.000026987  -0.000050952   0.000032560
 H      0.812443      1.873366      0.264557    0.00   0.000040137   0.000369064   0.000048054
 H     -0.152220      2.870964      1.356975    0.00  -0.000281073  -0.000151577   0.000237881
 H     -2.749712     -0.120009      0.002628    0.00   0.000929800  -0.000334747   0.000912430
 H     -1.412295      0.893554      2.175477    0.00  -0.000242791  -0.000897479  -0.000858342
 H      0.316423      0.540415      2.259509    0.00  -0.000078642   0.000236672   0.000371472
 H     -0.399408      0.763071     -1.819830    0.00  -0.000164943   0.000206828  -0.000276893
 O     -1.037609     -1.643888      1.433660    0.00  -0.011400057   0.003609305   0.006294993
 C     -1.822985     -1.539421     -1.351589    0.00  -0.000244824  -0.000447145  -0.000312085
 H     -2.105601     -2.415080     -0.749122    0.00  -0.000182400  -0.000013056  -0.000067865
 H     -2.559011     -1.438254     -2.155266    0.00  -0.000190823   0.000309128   0.000171997
 H     -0.852679     -1.764396     -1.811701    0.00  -0.000227589  -0.000296479  -0.000314549
 H     -0.262164     -2.269815      1.418401    0.00  -0.001772184  -0.000611127   0.001784800
 O      0.512474     -1.082272      0.040520    0.00  -0.003013162   0.003919181  -0.010510797
 O      1.739691     -0.492479      0.436012    0.00  -0.004223367   0.006399062   0.001500847
 C      2.413964     -0.176628     -0.766955    0.00  -0.001394060   0.001354745   0.001346673
 H      1.882024     -0.471326     -1.670653    0.00  -0.000149385   0.000075871   0.000124397
 O      3.477561      0.369283     -0.626093    0.00  -0.000357553  -0.001425129   0.000919142
26
 Energy =      -0.197520252576
 C     -0.200730      1.978340      0.704320    0.00   0.000118985  -0.000327509   0.000499026
 C     -1.233821      2.194482     -0.408593    0.00  -0.000174442  -0.000591025   0.000604483
 C     -1.358277      0.952430     -1.298935    0.00  -0.000202432  -0.000759821   0.000879313
 C     -1.749298     -0.290962     -0.477268    0.00   0.006260056  -0.002273327   0.001347527
 C     -0.707298     -0.490949      0.661434    0.00   0.010121006  -0.004202842  -0.002210805
 C     -0.509917      0.733793      1.545604    0.00   0.004071902  -0.002945612  -0.002158437
 H     -2.106664      1.126545     -2.094691    0.00  -0.000343799  -0.000213045   0.000345119
 H     -2.218231      2.445228      0.032091    0.00  -0.000011407  -0.000057319   0.000060961
 H     -0.946522      3.070116     -1.021854    0.00  -0.000031404  -0.000054346   0.000036938
 H      0.812800      1.876354      0.264947    0.00   0.000044188   0.000359639   0.000048376
 H     -0.154493      2.869739      1.358906    0.00  -0.000272730  -0.000149173   0.000231383
 H     -2.742655     -0.122624      0.009432    0.00   0.000805471  -0.000306079   0.000748927
 H     -1.413918      0.886783      2.169103    0.00  -0.000141224  -0.000763369  -0.000710148
 H      0.316079      0.542046      2.262194    0.00  -0.000015495   0.000164916   0.000278731
 H     -0.400729      0.764718     -1.822080    0.00  -0.000161036   0.000194906  -0.000269489
 O     -1.043183     -1.641934      1.436734    0.00  -0.010205929   0.003929619   0.005632472
 C     -1.823140     -1.539750     -1.351809    0.00  -0.000208324  -0.000506831  -0.000330205
 H     -2.107038     -2.415226     -0.749690    0.00  -0.000167526  -0.000021712  -0.000070770
 H     -2.560592     -1.435760     -2.153858    0.00  -0.000191284   0.000297668   0.000173280
 H     -0.854514     -1.766788     -1.814293    0.00  -0.000222944  -0.000285276  -0.000315252
 H     -0.275580     -2.274190      1.431948    0.00  -0.001530055  -0.000447723   0.001532200
 O      0.511189     -1.080517      0.035209    0.00  -0.002001979   0.002930312  -0.010047478
 O      1.737584     -0.489300      0.436732    0.00  -0.003946464   0.005916899   0.001278078
 C      2.413057     -0.175706     -0.766027    0.00  -0.001238468   0.001325961   0.001350107
 H      1.880867     -0.470683     -1.669650    0.00  -0.000132483   0.000081178   0.000119706
 O      3.477412      0.368581     -0.625612    0.00  -0.000222182  -0.001296089   0.000945958
26
 Energy =      -0.198234936422
 C     -0.200608      1.978084      0.704704    0.00   0.000190841  -0.000320606   0.000479953
 C     -1.233949      2.193992     -0.408097    0.00  -0.000151290  -0.000655085   0.000655412
 C     -1.358415      0.951832     -1.298252    0.00  -0.000152601  -0.000761563   0.000851313
 C     -1.744678     -0.292691     -0.476301    0.00   0.005496429  -0.002129232   0.001114317
 C     -0.700226     -0.494015      0.659902    0.00   0.007971529  -0.003636448  -0.001710950
 C     -0.506799      0.731595      1.544006    0.00   0.003870823  -0.002655105  -0.001905235
 H     -2.109803      1.124630     -2.091535    0.00  -0.000322839  -0.000196741   0.000331944
 H     -2.218327      2.444647      0.032699    0.00  -0.000009058  -0.000066794   0.000068920
 H     -0.946838      3.069595     -1.021487    0.00  -0.000036112  -0.000056762   0.000041469
 H      0.813243      1.879636      0.265388    0.00   0.000046829   0.000341908   0.000047471
 H     -0.156969      2.868390      1.361021    0.00  -0.000255863  -0.000141706   0.000218473
 H     -2.735781     -0.125331      0.015706    0.00   0.000676817  -0.000275241   0.000594738
 H     -1.414823      0.880271      2.163236    0.00  -0.000043071  -0.000637271  -0.000557105
 H      0.316295      0.543255      2.264380    0.00   0.000052028   0.000097315   0.000185343
 H     -0.402179      0.766451     -1.824537    0.00  -0.000153453   0.000175825  -0.000252633
 O     -1.048837     -1.639561      1.439866    0.00  -0.008998640   0.004094003   0.005010337
 C     -1.823293     -1.540172     -1.352078    0.00  -0.000183735  -0.000566123  -0.000357699
 H     -2.108513     -2.415479     -0.750361    0.00  -0.000147523  -0.000031265  -0.000072621
 H     -2.562373     -1.433087     -2.152283    0.00  -0.000185303   0.000272250   0.000166069
 H     -0.856529     -1.769370     -1.817214    0.00  -0.000211713  -0.000264764  -0.000306341
 H     -0.288734     -2.277809      1.445195    0.00  -0.001310305  -0.000314223   0.001308667
 O      0.510243     -1.079046      0.029491    0.00  -0.001243726   0.002114227  -0.009341241
 O      1.735343     -0.485974      0.437414    0.00  -0.003664127   0.005374879   0.001027521
 C      2.412155     -0.174677     -0.764981    0.00  -0.001057740   0.001297344   0.001314243
 H      1.879729     -0.469895     -1.668572    0.00  -0.000110528   0.000087509   0.000110311
 O      3.477328      0.367862     -0.625045    0.00  -0.000067669  -0.001146330   0.000977324
26
 Energy =      -0.198855517219
 C     -0.200404      1.977802      0.705129    0.00   0.000259822  -0.000301096   0.000461920
 C     -1.234074      2.193372     -0.407484    0.00  -0.000125736  -0.000711621   0.000697923
 C     -1.358537      0.951148     -1.297504    0.00  -0.000123465  -0.000748519   0.000795817
 C     -1.740094     -0.294541     -0.475408    0.00   0.004642242  -0.001960571   0.000861617
 C     -0.693868     -0.497044      0.658511    0.00   0.006163482  -0.003091524  -0.001376929
 C     -0.503394      0.729330      1.542398    0.00   0.003660999  -0.002358742  -0.001650613
 H     -2.113140      1.122642     -2.088112    0.00  -0.000291594  -0.000173410   0.000306956
 H     -2.218411      2.443872      0.033486    0.00  -0.000006505  -0.000076896   0.000077085
 H     -0.947254      3.068976     -1.021015    0.00  -0.000041149  -0.000057992   0.000046072
 H      0.813777      1.883187      0.265875    0.00   0.000048096   0.000317572   0.000044851
 H     -0.159597      2.866943      1.363291    0.00  -0.000231778  -0.000130270   0.000200481
 H     -2.729235     -0.128114      0.021352    0.00   0.000550253  -0.000243943   0.000456486
 H     -1.414834      0.874053      2.158101    0.00   0.000047079  -0.000524756  -0.000408272
 H      0.317266      0.543956      2.265903    0.00   0.000119807   0.000036798   0.000096042
 H     -0.403743      0.768207     -1.827139    0.00  -0.000142251   0.000150942  -0.000227230
 O     -1.054533     -1.636767      1.443063    0.00  -0.007802773   0.004112219   0.004425686
 C     -1.823453     -1.540711     -1.352416    0.00  -0.000171987  -0.000621115  -0.000394171
 H     -2.109973     -2.415876     -0.751144    0.00  -0.000123274  -0.000041016  -0.000073026
 H     -2.564333     -1.430353     -2.150596    0.00  -0.000173805   0.000234335   0.000150953
 H     -0.858691     -1.772081     -1.820436    0.00  -0.000194588  -0.000236467  -0.000288859
 H     -0.301625     -2.280691      1.458191    0.00  -0.001110308  -0.000206424   0.001110735
 O      0.509583     -1.077848      0.023460    0.00  -0.000731021   0.001461730  -0.008423956
 O      1.732957     -0.482526      0.438023    0.00  -0.003371281   0.004791750   0.000759016
 C      2.411287     -0.173518     -0.763828    0.00  -0.000860950   0.001266416   0.001236936
 H      1.878676     -0.468914     -1.667455    0.00  -0.000084978   0.000094787   0.000096500
 O      3.477340      0.367142     -0.624368    0.00   0.000095665  -0.000982188   0.001017979
26
 Energy =      -0.199388473359
 C     -0.200097      1.977498      0.705604    0.00   0.000324331  -0.000272157   0.000440607
 C     -1.234194      2.192597     -0.406730    0.00  -0.000102315  -0.000757500   0.000729410
 C     -1.358661      0.950374     -1.296704    0.00  -0.000115422  -0.000720704   0.000715897
 C     -1.735683     -0.296506     -0.474638    0.00   0.003745297  -0.001772511   0.000604389
 C     -0.688201     -0.500005      0.657175    0.00   0.004661474  -0.002565301  -0.001164077
 C     -0.499650      0.727002      1.540788    0.00   0.003453096  -0.002067438  -0.001409557
 H     -2.116583      1.120655     -2.084510    0.00  -0.000252435  -0.000145064   0.000271695
 H     -2.218477      2.442842      0.034505    0.00  -0.000004076  -0.000087041   0.000085059
 H     -0.947804      3.068247     -1.020408    0.00  -0.000046592  -0.000057849   0.000050559
 H      0.814413      1.886986      0.266393    0.00   0.000048114   0.000288787   0.000040109
 H     -0.162321      2.865424      1.365687    0.00  -0.000202366  -0.000116203   0.000178951
 H     -2.723149     -0.130969      0.026312    0.00   0.000430714  -0.000213518   0.000337644
 H     -1.413766      0.868117      2.153908    0.00   0.000125901  -0.000428045  -0.000271107
 H      0.319214      0.544072      2.266591    0.00   0.000183514  -0.000014572   0.000014820
 H     -0.405398      0.769913     -1.829808    0.00  -0.000127806   0.000122194  -0.000195001
 O     -1.060234     -1.633551      1.446338    0.00  -0.006641740   0.003999062   0.003873344
 C     -1.823633     -1.541392     -1.352852    0.00  -0.000171702  -0.000666970  -0.000436357
 H     -2.111349     -2.416458     -0.752051    0.00  -0.000096081  -0.000050249  -0.000071829
 H     -2.566448     -1.427709     -2.148867    0.00  -0.000158168   0.000187015   0.000129460
 H     -0.860960     -1.774844     -1.823925    0.00  -0.000172737  -0.000202489  -0.000264454
 H     -0.314239     -2.282847      1.470994    0.00  -0.000927765  -0.000120155   0.000935041
 O      0.509132     -1.076910      0.017228    0.00  -0.000428777   0.000952858  -0.007348125
 O      1.730416     -0.478981      0.438517    0.00  -0.003062901   0.004186509   0.000482958
 C      2.410487     -0.172203     -0.762589    0.00  -0.000658947   0.001229966   0.001119987
 H      1.877785     -0.467674     -1.666351    0.00  -0.000057612   0.000102666   0.000078978
 O      3.477483      0.366435     -0.623542    0.00   0.000255001  -0.000811290   0.001071599
26
 Energy =      -0.199840371019
 C     -0.199658      1.977181      0.706132    0.00   0.000382979  -0.000236776   0.000410128
 C     -1.234310      2.191634     -0.405810    0.00  -0.000086293  -0.000788974   0.000747104
 C     -1.358810      0.949504     -1.295872    0.00  -0.000126164  -0.000678784   0.000617286
 C     -1.731597     -0.298582     -0.474043    0.00   0.002854943  -0.001570620   0.000359901
 C     -0.683215     -0.502857      0.655813    0.00   0.003422422  -0.002060829  -0.001026982
 C     -0.495488      0.724611      1.539177    0.00   0.003250691  -0.001786709  -0.001191120
 H     -2.120026      1.118753     -2.080846    0.00  -0.000208603  -0.000114261   0.000228853
 H     -2.218522      2.441481      0.035821    0.00  -0.000002134  -0.000096509   0.000092369
 H     -0.948538      3.067402     -1.019629    0.00  -0.000052606  -0.000056183   0.000054612
 H      0.815162      1.891021      0.266914    0.00   0.000047026   0.000257766   0.000032952
 H     -0.165071      2.863857      1.368180    0.00  -0.000169813  -0.000100802   0.000155289
 H     -2.717654     -0.133901      0.030553    0.00   0.000321716  -0.000184777   0.000238988
 H     -1.411420      0.862425      2.150855    0.00   0.000191269  -0.000346393  -0.000151093
 H      0.322382      0.543528      2.266270    0.00   0.000238920  -0.000055434  -0.000055252
 H     -0.407114      0.771484     -1.832443    0.00  -0.000110851   0.000091933  -0.000158396
 O     -1.065902     -1.629919      1.449699    0.00  -0.005538251   0.003772889   0.003347254
 C     -1.823851     -1.542243     -1.353419    0.00  -0.000179228  -0.000697988  -0.000478053
 H     -2.112556     -2.417272     -0.753092    0.00  -0.000067610  -0.000058224  -0.000069082
 H     -2.568691     -1.425333     -2.147181    0.00  -0.000140006   0.000134757   0.000103932
 H     -0.863284     -1.777574     -1.827642    0.00  -0.000147720  -0.000165264  -0.000235225
 H     -0.326531     -2.284260      1.483650    0.00  -0.000760871  -0.000051678   0.000778647
 O      0.508801     -1.076220      0.010929    0.00  -0.000285911   0.000562328  -0.006180654
 O      1.727716     -0.475368      0.438842    0.00  -0.002736167   0.003577419   0.000210857
 C      2.409792     -0.170703     -0.761295    0.00  -0.000463521   0.001184547   0.000969164
 H      1.877140     -0.466095     -1.665332    0.00  -0.000030383   0.000110531   0.000058846
 O      3.477793      0.365762     -0.622510    0.00   0.000396167  -0.000641964   0.001139675
26
 Energy =      -0.200218538535
 C     -0.199052      1.976857      0.706707    0.00   0.000433901  -0.000197324   0.000364023
 C     -1.234435      2.190449     -0.404697    0.00  -0.000082849  -0.000801737   0.000748162
 C     -1.359015      0.948536     -1.295033    0.00  -0.000150947  -0.000624234   0.000508418
 C     -1.728002     -0.300756     -0.473674    0.00   0.002020786  -0.001360971   0.000146105
 C     -0.678922     -0.505536      0.654357    0.00   0.002409010  -0.001588260  -0.000926436
 C     -0.490812      0.722161      1.537557    0.00   0.003050716  -0.001517970  -0.000999370
 H     -2.123351      1.117026     -2.077264    0.00  -0.000163925  -0.000083841   0.000182177
 H     -2.218550      2.439698      0.037514    0.00  -0.000001038  -0.000104515   0.000098511
 H     -0.949528      3.066436     -1.018634    0.00  -0.000059413  -0.000052879   0.000057765
 H      0.816037      1.895290      0.267382    0.00   0.000044912   0.000226411   0.000023220
 H     -0.167771      2.862266      1.370731    0.00  -0.000136252  -0.000085115   0.000130532
 H     -2.712889     -0.136917      0.034048    0.00   0.000225865  -0.000158043   0.000159684
 H     -1.407574      0.856943      2.149135    0.00   0.000241932  -0.000277310  -0.000051979
 H      0.327031      0.542256      2.264754    0.00   0.000282116  -0.000084869  -0.000112040
 H     -0.408852      0.772832     -1.834928    0.00  -0.000092533   0.000062736  -0.000120460
 O     -1.071490     -1.625884      1.453141    0.00  -0.004515115   0.003454098   0.002842596
 C     -1.824126     -1.543292     -1.354153    0.00  -0.000189176  -0.000707895  -0.000510677
 H     -2.113498     -2.418366     -0.754275    0.00  -0.000039793  -0.000064157  -0.000064973
 H     -2.571041     -1.423424     -2.145633    0.00  -0.000120942   0.000082902   0.000077287
 H     -0.865606     -1.780168     -1.831540    0.00  -0.000121392  -0.000127363  -0.000203508
 H     -0.338399     -2.284887      1.496173    0.00  -0.000608813   0.000001835   0.000639660
 O      0.508502     -1.075775      0.004719    0.00  -0.000247111   0.000264939  -0.004996877
 O      1.724863     -0.471722      0.438937    0.00  -0.002393183   0.002981558  -0.000044021
 C      2.409238     -0.168987     -0.759993    0.00  -0.000286559   0.001127095   0.000794478
 H      1.876834     -0.464074     -1.664483    0.00  -0.000005273   0.000117539   0.000037581
 O      3.478305      0.365141     -0.621193    0.00   0.000505076  -0.000482631   0.001220142
26
 Energy =      -0.200531539564
 C     -0.198238      1.976539      0.707300    0.00   0.000474140  -0.000155452   0.000296926
 C     -1.234594      2.189016     -0.403367    0.00  -0.000095933  -0.000791330   0.000730154
 C     -1.359316      0.947474     -1.294217    0.00  -0.000183410  -0.000559336   0.000399744
 C     -1.725067     -0.303004     -0.473572    0.00   0.001290611  -0.001150391  -0.000020596
 C     -0.675368     -0.507966      0.652768    0.00   0.001597709  -0.001163287  -0.000834045
 C     -0.485526      0.719672      1.535920    0.00   0.002845704  -0.001261156  -0.000835409
 H     -2.126433      1.115557     -2.073929    0.00  -0.000122402  -0.000056572   0.000136143
 H     -2.218576      2.437398      0.039674    0.00  -0.000001064  -0.000110274   0.000102959
 H     -0.950880      3.065361     -1.017380    0.00  -0.000067196  -0.000047905   0.000059463
 H      0.817050      1.899785      0.267705    0.00   0.000041747   0.000196016   0.000010919
 H     -0.170322      2.860681      1.373282    0.00  -0.000103458  -0.000069833   0.000105332
 H     -2.709007     -0.140014      0.036771    0.00   0.000145430  -0.000133365   0.000098439
 H     -1.402009      0.851681      2.148921    0.00   0.000277196  -0.000218138   0.000023794
 H      0.333407      0.540218      2.261867    0.00   0.000309763  -0.000102280  -0.000154305
 H     -0.410566      0.773872     -1.837132    0.00  -0.000074378   0.000037145  -0.000084552
 O     -1.076932     -1.621490      1.456633    0.00  -0.003595295   0.003064934   0.002358209
 C     -1.824473     -1.544552     -1.355082    0.00  -0.000195542  -0.000690828  -0.000524695
 H     -2.114066     -2.419784     -0.755604    0.00  -0.000014628  -0.000067250  -0.000059706
 H     -2.573470     -1.422170     -2.144311    0.00  -0.000102409   0.000036903   0.000052644
 H     -0.867857     -1.782505     -1.835564    0.00  -0.000095763  -0.000091292  -0.000171636
 H     -0.349654     -2.284655      1.508526    0.00  -0.000472239   0.000042110   0.000517759
 O      0.508150     -1.075587     -0.001223    0.00  -0.000262277   0.000039612  -0.003874570
 O      1.721884     -0.468102      0.438728    0.00  -0.002043126   0.002414589  -0.000266487
 C      2.408860     -0.167030     -0.758745    0.00  -0.000138900   0.001055681   0.000610463
 H      1.876961     -0.461502     -1.663914    0.00   0.000015915   0.000122728   0.000016984
 O      3.479041      0.364594     -0.619489    0.00   0.000569803  -0.000341028   0.001306072
26
 Energy =      -0.200789086379
 C     -0.197178      1.976247      0.707848    0.00   0.000499773  -0.000112542   0.000206891
 C     -1.234836      2.187327     -0.401814    0.00  -0.000126921  -0.000754247   0.000692058
 C     -1.359755      0.946334     -1.293454    0.00  -0.000217100  -0.000486921   0.000301958
 C     -1.722939     -0.305282     -0.473747    0.00   0.000704436  -0.000946372  -0.000128839
 C     -0.672605     -0.510063      0.651045    0.00   0.000977896  -0.000803058  -0.000734378
 C     -0.479563      0.717194      1.534255    0.00   0.002627651  -0.001017711  -0.000699345
 H     -2.129169      1.114409     -2.070999    0.00  -0.000087558  -0.000034678   0.000095250
 H     -2.218630      2.434493      0.042388    0.00  -0.000002301  -0.000113075   0.000105210
 H     -0.952736      3.064210     -1.015842    0.00  -0.000075876  -0.000041385   0.000059237
 H      0.818197      1.904478      0.267740    0.00   0.000037447   0.000167204  -0.000003703
 H     -0.172595      2.859146      1.375727    0.00  -0.000072710  -0.000055364   0.000080198
 H     -2.706140     -0.143165      0.038712    0.00   0.000082373  -0.000110797   0.000054102
 H     -1.394567      0.846716      2.150318    0.00   0.000296849  -0.000167266   0.000074995
 H      0.341665      0.537442      2.257487    0.00   0.000319635  -0.000107610  -0.000181669
 H     -0.412214      0.774546     -1.838933    0.00  -0.000058119   0.000017271  -0.000053796
 O     -1.082140     -1.616830      1.460103    0.00  -0.002799445   0.002630729   0.001898379
 C     -1.824899     -1.546012     -1.356214    0.00  -0.000193357  -0.000643381  -0.000512140
 H     -2.114157     -2.421537     -0.757067    0.00   0.000006151  -0.000066836  -0.000053419
 H     -2.575951     -1.421711     -2.143277    0.00  -0.000085486   0.000001220   0.000032766
 H     -0.869968     -1.784454     -1.839642    0.00  -0.000072755  -0.000059255  -0.000141622
 H     -0.360020     -2.283492      1.520615    0.00  -0.000353099   0.000070230   0.000414113
 O      0.507683     -1.075677     -0.006708    0.00  -0.000292755  -0.000128705  -0.002885099
 O      1.718833     -0.464597      0.438148    0.00  -0.001701806   0.001889934  -0.000440849
 C      2.408682     -0.164824     -0.757623    0.00  -0.000028323   0.000970368   0.000435400
 H      1.877592     -0.458279     -1.663734    0.00   0.000031827   0.000125200  -0.000000979
 O      3.480000      0.364143     -0.617281    0.00   0.000583573  -0.000222955   0.001385281
26
 Energy =      -0.201001173679
 C     -0.195847      1.976006      0.708245    0.00   0.000507240  -0.000070525   0.000097459
 C     -1.235234      2.185412     -0.400055    0.00  -0.000173478  -0.000689712   0.000635562
 C     -1.360372      0.945149     -1.292763    0.00  -0.000247518  -0.000409864   0.000223118
 C     -1.721684     -0.307524     -0.474164    0.00   0.000283778  -0.000756211  -0.000176439
 C     -0.670642     -0.511762      0.649230    0.00   0.000541188  -0.000520035  -0.000624661
 C     -0.472926      0.714808      1.532551    0.00   0.002392265  -0.000792134  -0.000591014
 H     -2.131517      1.113596     -2.068583    0.00  -0.000061631  -0.000019274   0.000062890
 H     -2.218766      2.430939      0.045717    0.00  -0.000004548  -0.000112371   0.000104916
 H     -0.955267      3.063049     -1.014024    0.00  -0.000084879  -0.000033669   0.000056942
 H      0.819451      1.909295      0.267288    0.00   0.000032006   0.000140129  -0.000019975
 H     -0.174433      2.857722      1.377910    0.00  -0.000044840  -0.000042008   0.000055810
 H     -2.704339     -0.146317      0.039924    0.00   0.000037561  -0.000090512   0.000025338
 H     -1.385241      0.842177      2.153283    0.00   0.000301328  -0.000124285   0.000102224
 H      0.351783      0.534068      2.251610    0.00   0.000311619  -0.000101917  -0.000194664
 H     -0.413777      0.774850     -1.840253    0.00  -0.000045281   0.000004302  -0.000030304
 O     -1.087018     -1.612057      1.463433    0.00  -0.002139836   0.002180514   0.001472411
 C     -1.825396     -1.547617     -1.357514    0.00  -0.000180478  -0.000567219  -0.000469788
 H     -2.113701     -2.423593     -0.758628    0.00   0.000021500  -0.000062698  -0.000046169
 H     -2.578452     -1.422075     -2.142533    0.00  -0.000070801  -0.000021908   0.000019356
 H     -0.871880     -1.785894     -1.843691    0.00  -0.000053810  -0.000032820  -0.000114839
 H     -0.369183     -2.281358      1.532348    0.00  -0.000253506   0.000087670   0.000330352
 O      0.507064     -1.076069     -0.011582    0.00  -0.000314103  -0.000249657  -0.002079669
 O      1.715782     -0.461334      0.437157    0.00  -0.001386661   0.001416685  -0.000554609
 C      2.408702     -0.162389     -0.756689    0.00   0.000043038   0.000873684   0.000287860
 H      1.878757     -0.454346     -1.664030    0.00   0.000041862   0.000124412  -0.000014569
 O      3.481143      0.363805     -0.614464    0.00   0.000547985  -0.000130578   0.001442460
26
 Energy =      -0.201176767758
 C     -0.194248      1.975848      0.708354    0.00   0.000495384  -0.000032157  -0.000022210
 C     -1.235881      2.183346     -0.398137    0.00  -0.000229491  -0.000601201   0.000565556
 C     -1.361207      0.943967     -1.292146    0.00  -0.000273562  -0.000330616   0.000166166
 C     -1.721246     -0.309654     -0.474731    0.00   0.000022402  -0.000585545  -0.000172472
 C     -0.669394     -0.513047      0.647393    0.00   0.000268067  -0.000316147  -0.000511528
 C     -0.465691      0.712611      1.530786    0.00   0.002141187  -0.000590800  -0.000509295
 H     -2.133534      1.113072     -2.066688    0.00  -0.000045054  -0.000010020   0.000040327
 H     -2.219053      2.426753      0.049683    0.00  -0.000007304  -0.000107943   0.000102033
 H     -0.958649      3.061973     -1.011968    0.00  -0.000093129  -0.000025352   0.000052903
 H      0.820752      1.914117      0.266107    0.00   0.000025636   0.000114821  -0.000036709
 H     -0.175659      2.856475      1.379643    0.00  -0.000020405  -0.000030109   0.000033118
 H     -2.703519     -0.149399      0.040559    0.00   0.000009734  -0.000072721   0.000009879
 H     -1.374226      0.838203      2.157569    0.00   0.000292002  -0.000089176   0.000108704
 H      0.363516      0.530359      2.244387    0.00   0.000288433  -0.000087789  -0.000194810
 H     -0.415282      0.774864     -1.841097    0.00  -0.000036700  -0.000001862  -0.000014607
 O     -1.091494     -1.607363      1.466486    0.00  -0.001613982   0.001744088   0.001091163
 C     -1.825940     -1.549274     -1.358904    0.00  -0.000158485  -0.000470264  -0.000401176
 H     -2.112677     -2.425857     -0.760213    0.00   0.000031356  -0.000055337  -0.000038054
 H     -2.580948     -1.423153     -2.142000    0.00  -0.000058546  -0.000033139   0.000012554
 H     -0.873568     -1.786744     -1.847630    0.00  -0.000039517  -0.000012615  -0.000091853
 H     -0.376884     -2.278263      1.543734    0.00  -0.000174144   0.000097196   0.000267063
 O      0.506294     -1.076780     -0.015785    0.00  -0.000315316  -0.000329836  -0.001476015
 O      1.712806     -0.458463      0.435768    0.00  -0.001108926   0.000997457  -0.000602957
 C      2.408890     -0.159773     -0.755968    0.00   0.000080012   0.000770148   0.000180983
 H      1.880418     -0.449701     -1.664824    0.00   0.000046330   0.000120377  -0.000022772
 O      3.482392      0.363591     -0.610966    0.00   0.000474016  -0.000061457   0.001464009
26
 Energy =      -0.201322967689
 C     -0.192405      1.975797      0.708026    0.00   0.000466461  -0.000000276  -0.000139773
 C     -1.236878      2.181238     -0.396119    0.00  -0.000286448  -0.000496416   0.000489079
 C     -1.362303      0.942852     -1.291586    0.00  -0.000297248  -0.000251355   0.000128813
 C     -1.721459     -0.311602     -0.475324    0.00  -0.000111244  -0.000437555  -0.000134425
 C     -0.668679     -0.513959      0.645604    0.00   0.000123775  -0.000181625  -0.000405593
 C     -0.457984      0.710690      1.528921    0.00   0.001881122  -0.000419023  -0.000451054
 H     -2.135386      1.112745     -2.065215    0.00  -0.000036690  -0.000005359   0.000026639
 H     -2.219566      2.422023      0.054276    0.00  -0.000009875  -0.000100025   0.000096885
 H     -0.963036      3.061093     -1.009739    0.00  -0.000099352  -0.000017183   0.000047801
 H      0.822018      1.918800      0.263945    0.00   0.000018748   0.000091448  -0.000052330
 H     -0.176105      2.855458      1.380733    0.00   0.000000189  -0.000020020   0.000013121
 H     -2.703465     -0.152350      0.040864    0.00  -0.000004546  -0.000057551   0.000004373
 H     -1.361880      0.834891      2.162753    0.00   0.000271307  -0.000061487   0.000100012
 H      0.376457      0.526643      2.236094    0.00   0.000255068  -0.000068916  -0.000184630
 H     -0.416816      0.774738     -1.841551    0.00  -0.000032327  -0.000002500  -0.000005821
 O     -1.095533     -1.602929      1.469132    0.00  -0.001204675   0.001346468   0.000762697
 C     -1.826496     -1.550870     -1.360274    0.00  -0.000131975  -0.000364860  -0.000315789
 H     -2.111116     -2.428203     -0.761720    0.00   0.000036528  -0.000045924  -0.000029350
 H     -2.583434     -1.424734     -2.141530    0.00  -0.000048634  -0.000035434   0.000011054
 H     -0.875048     -1.786982     -1.851399    0.00  -0.000029560   0.000001677  -0.000072591
 H     -0.382968     -2.274219      1.554982    0.00  -0.000113584   0.000102743   0.000222952
 O      0.505401     -1.077809     -0.019376    0.00  -0.000295475  -0.000374810  -0.001057093
 O      1.709972     -0.456147      0.434052    0.00  -0.000869354   0.000628927  -0.000590677
 C      2.409198     -0.157037     -0.755423    0.00   0.000092592   0.000665081   0.000118382
 H      1.882482     -0.444387     -1.666056    0.00   0.000046257   0.000113683  -0.000025569
 O      3.483651      0.363509     -0.606766    0.00   0.000378941  -0.000009706   0.001442887
26
 Energy =      -0.201445200553
 C     -0.190361      1.975866      0.707124    0.00   0.000425434   0.000023487  -0.000243176
 C     -1.238315      2.179213     -0.394058    0.00  -0.000335589  -0.000385729   0.000413333
 C     -1.363723      0.941877     -1.291052    0.00  -0.000321791  -0.000174781   0.000105827
 C     -1.722111     -0.313309     -0.475817    0.00  -0.000160210  -0.000313673  -0.000081808
 C     -0.668269     -0.514572      0.643907    0.00   0.000066198  -0.000099375  -0.000316091
 C     -0.449959      0.709111      1.526902    0.00   0.001621906  -0.000279105  -0.000411089
 H     -2.137324      1.112524     -2.063992    0.00  -0.000034604  -0.000003307   0.000019703
 H     -2.220368      2.416895      0.059463    0.00  -0.000011594  -0.000089311   0.000090056
 H     -0.968527      3.060517     -1.007409    0.00  -0.000102499  -0.000009924   0.000042372
 H      0.823161      1.923192      0.260580    0.00   0.000011871   0.000070379  -0.000065248
 H     -0.175627      2.854703      1.381024    0.00   0.000016647  -0.000011969  -0.000003422
 H     -2.703901     -0.155125      0.041119    0.00  -0.000009756  -0.000045042   0.000005043
 H     -1.348659      0.832287      2.168328    0.00   0.000242616  -0.000040249   0.000082617
 H      0.390121      0.523246      2.227066    0.00   0.000217211  -0.000049059  -0.000167383
 H     -0.418527      0.774665     -1.841767    0.00  -0.000031516   0.000000467  -0.000002354
 O     -1.099129     -1.598894      1.471262    0.00  -0.000887646   0.001003925   0.000490214
 C     -1.827041     -1.552298     -1.361507    0.00  -0.000106614  -0.000263932  -0.000226015
 H     -2.109076     -2.430492     -0.763025    0.00   0.000038262  -0.000035902  -0.000020593
 H     -2.585929     -1.426585     -2.140947    0.00  -0.000040877  -0.000032590   0.000012833
 H     -0.876368     -1.786631     -1.854954    0.00  -0.000023104   0.000010982  -0.000056734
 H     -0.387337     -2.269167      1.566524    0.00  -0.000069164   0.000108517   0.000195200
 O      0.504436     -1.079138     -0.022499    0.00  -0.000259601  -0.000389962  -0.000784283
 O      1.707346     -0.454566      0.432132    0.00  -0.000661538   0.000306048  -0.000530419
 C      2.409578     -0.154246     -0.754963    0.00   0.000091861   0.000563670   0.000094624
 H      1.884817     -0.438466     -1.667592    0.00   0.000043000   0.000105302  -0.000023801
 O      3.484831      0.363574     -0.601887    0.00   0.000281095   0.000031132   0.001380591
26
 Energy =      -0.201548032314
 C     -0.188169      1.976058      0.705554    0.00   0.000378495   0.000039320  -0.000323506
 C     -1.240253      2.177398     -0.392011    0.00  -0.000370008  -0.000280074   0.000344025
 C     -1.365552      0.941118     -1.290518    0.00  -0.000349307  -0.000104762   0.000091806
 C     -1.723012     -0.314732     -0.476113    0.00  -0.000164262  -0.000214571  -0.000030387
 C     -0.667949     -0.514962      0.642315    0.00   0.000056738  -0.000051472  -0.000247755
 C     -0.441803      0.707911      1.524679    0.00   0.001375351  -0.000170294  -0.000383303
 H     -2.139638      1.112356     -2.062822    0.00  -0.000036730  -0.000002229   0.000017299
 H     -2.221487      2.411578      0.065182    0.00  -0.000012061  -0.000076870   0.000082247
 H     -0.975122      3.060327     -1.005051    0.00  -0.000102057  -0.000004155   0.000037137
 H      0.824098      1.927142      0.255872    0.00   0.000005542   0.000052158  -0.000074287
 H     -0.174131      2.854222      1.380409    0.00   0.000028817  -0.000005974  -0.000016173
 H     -2.704576     -0.157699      0.041581    0.00  -0.000010010  -0.000035210   0.000008594
 H     -1.335073      0.830403      2.173788    0.00   0.000209815  -0.000024314   0.000062416
 H      0.403991      0.520436      2.217661    0.00   0.000179973  -0.000031135  -0.000146525
 H     -0.420607      0.774837     -1.841929    0.00  -0.000033407   0.000005042  -0.000002551
 O     -1.102274     -1.595357      1.472792    0.00  -0.000640092   0.000723216   0.000272541
 C     -1.827564     -1.553481     -1.362499    0.00  -0.000087079  -0.000177591  -0.000143691
 H     -2.106625     -2.432609     -0.764006    0.00   0.000037823  -0.000026581  -0.000012522
 H     -2.588464     -1.428518     -2.140091    0.00  -0.000035088  -0.000027861   0.000015960
 H     -0.877594     -1.785746     -1.858262    0.00  -0.000019239   0.000016472  -0.000044058
 H     -0.389886     -2.262924      1.578949    0.00  -0.000038754   0.000118266   0.000180268
 O      0.503461     -1.080725     -0.025326    0.00  -0.000215173  -0.000380736  -0.000614302
 O      1.705018     -0.453917      0.430169    0.00  -0.000478988   0.000026835  -0.000439718
 C      2.409999     -0.151465     -0.754464    0.00   0.000086419   0.000470887   0.000098906
 H      1.887271     -0.432018     -1.669247    0.00   0.000037859   0.000096389  -0.000018851
 O      3.485866      0.363808     -0.596414    0.00   0.000195426   0.000065244   0.001286430
26
 Energy =      -0.201635829538
 C     -0.185898      1.976361      0.703300    0.00   0.000331706   0.000048851  -0.000376980
 C     -1.242683      2.175899     -0.390030    0.00  -0.000386460  -0.000188750   0.000284535
 C     -1.367876      0.940641     -1.289964    0.00  -0.000379292  -0.000045818   0.000082901
 C     -1.724027     -0.315848     -0.476162    0.00  -0.000151500  -0.000140161   0.000010930
 C     -0.667560     -0.515186      0.640815    0.00   0.000067145  -0.000023860  -0.000200150
 C     -0.433753      0.707110      1.522236    0.00   0.001154098  -0.000089655  -0.000362238
 H     -2.142610      1.112234     -2.061517    0.00  -0.000041168  -0.000001263   0.000017654
 H     -2.222893      2.406345      0.071310    0.00  -0.000011361  -0.000063954   0.000074198
 H     -0.982658      3.060554     -1.002747    0.00  -0.000098223  -0.000000087   0.000032262
 H      0.824770      1.930517      0.249842    0.00   0.000000227   0.000037330  -0.000079066
 H     -0.171612      2.854008      1.378871    0.00   0.000036809  -0.000001873  -0.000025246
 H     -2.705301     -0.160069      0.042428    0.00  -0.000008260  -0.000027998   0.000012737
 H     -1.321681      0.829226      2.178694    0.00   0.000176763  -0.000012621   0.000043796
 H      0.417532      0.518388      2.208250    0.00   0.000147224  -0.000016812  -0.000125179
 H     -0.423254      0.775394     -1.842232    0.00  -0.000037070   0.000009590  -0.000004928
 O     -1.104942     -1.592374      1.473660    0.00  -0.000445268   0.000502538   0.000105479
 C     -1.828077     -1.554376     -1.363184    0.00  -0.000075588  -0.000111081  -0.000077161
 H     -2.103847     -2.434470     -0.764568    0.00   0.000036293  -0.000018876  -0.000005866
 H     -2.591076     -1.430413     -2.138856    0.00  -0.000031071  -0.000023287   0.000019083
 H     -0.878793     -1.784407     -1.861298    0.00  -0.000017200   0.000019336  -0.000034466
 H     -0.390508     -2.255216      1.592881    0.00  -0.000021669   0.000134648   0.000174359
 O      0.502540     -1.082488     -0.027996    0.00  -0.000169607  -0.000353312  -0.000510627
 O      1.703104     -0.454382      0.428344    0.00  -0.000320194  -0.000205767  -0.000337957
 C      2.410450     -0.148765     -0.753796    0.00   0.000080732   0.000391376   0.000118930
 H      1.889678     -0.425147     -1.670805    0.00   0.000031896   0.000088085  -0.000012322
 O      3.486726      0.364235     -0.590506    0.00   0.000131037   0.000093421   0.001175321
26
 Energy =      -0.201712854476
 C     -0.183631      1.976753      0.700450    0.00   0.000289839   0.000054059  -0.000405550
 C     -1.245508      2.174778     -0.388173    0.00  -0.000386295  -0.000117238   0.000235851
 C     -1.370740      0.940475     -1.289387    0.00  -0.000408642  -0.000001264   0.000077079
 C     -1.725080     -0.316668     -0.475963    0.00  -0.000137048  -0.000088540   0.000040063
 C     -0.667018     -0.515281      0.639387    0.00   0.000081021  -0.000007867  -0.000168942
 C     -0.426062      0.706691      1.519609    0.00   0.000968527  -0.000032975  -0.000344230
 H     -2.146425      1.112186     -2.059932    0.00  -0.000046276  -0.000000247   0.000019483
 H     -2.224496      2.401492      0.077644    0.00  -0.000010035  -0.000051760   0.000066606
 H     -0.990784      3.061158     -1.000592    0.00  -0.000091911   0.000002524   0.000027671
 H      0.825162      1.933244      0.242729    0.00  -0.000003744   0.000026115  -0.000080155
 H     -0.168209      2.854033      1.376505    0.00   0.000041157   0.000000659  -0.000031128
 H     -2.705973     -0.162255      0.043736    0.00  -0.000006161  -0.000023130   0.000016284
 H     -1.309010      0.828701      2.182751    0.00   0.000146776  -0.000004293   0.000029131
 H      0.430254      0.517157      2.199190    0.00   0.000121075  -0.000006478  -0.000105779
 H     -0.426613      0.776378     -1.842841    0.00  -0.000041525   0.000013090  -0.000008197
 O     -1.107112     -1.589963      1.473850    0.00  -0.000292244   0.000333830  -0.000017329
 C     -1.828606     -1.554985     -1.363552    0.00  -0.000071499  -0.000064494  -0.000029347
 H     -2.100838     -2.436043     -0.764685    0.00   0.000034484  -0.000013168  -0.000001028
 H     -2.593790     -1.432212     -2.137223    0.00  -0.000028566  -0.000019720   0.000021567
 H     -0.880021     -1.782713     -1.864063    0.00  -0.000016358   0.000020639  -0.000027762
 H     -0.389213     -2.245786      1.608789    0.00  -0.000017802   0.000158231   0.000173683
 O      0.501730     -1.084312     -0.030598    0.00  -0.000128473  -0.000314931  -0.000447465
 O      1.701714     -0.456037      0.426814    0.00  -0.000188283  -0.000386939  -0.000242548
 C      2.410931     -0.146204     -0.752869    0.00   0.000075860   0.000328521   0.000143976
 H      1.891877     -0.417987     -1.672075    0.00   0.000025910   0.000081272  -0.000005694
 O      3.487420      0.364854     -0.584389    0.00   0.000090212   0.000114105   0.001063760
26
 Energy =      -0.201782850227
 C     -0.181438      1.977205      0.697176    0.00   0.000255404   0.000056310  -0.000415328
 C     -1.248565      2.174032     -0.386482    0.00  -0.000374413  -0.000066068   0.000197246
 C     -1.374106      0.940589     -1.288789    0.00  -0.000433480   0.000028554   0.000073434
 C     -1.726139     -0.317242     -0.475551    0.00  -0.000126296  -0.000055542   0.000059165
 C     -0.666315     -0.515274      0.638019    0.00   0.000091542   0.000001046  -0.000148424
 C     -0.418925      0.706600      1.516876    0.00   0.000822686   0.000004664  -0.000327553
 H     -2.151109      1.112232     -2.058003    0.00  -0.000050840   0.000000648   0.000021861
 H     -2.226166      2.397243      0.083949    0.00  -0.000008687  -0.000041163   0.000059967
 H     -0.999062      3.062027     -0.998667    0.00  -0.000084424   0.000004127   0.000023315
 H      0.825302      1.935341      0.234928    0.00  -0.000006296   0.000018191  -0.000078772
 H     -0.164179      2.854253      1.373512    0.00   0.000042814   0.000002058  -0.000034504
 H     -2.706556     -0.164295      0.045477    0.00  -0.000004405  -0.000020079   0.000018882
 H     -1.297418      0.828725      2.185867    0.00   0.000122021   0.000001409   0.000018776
 H      0.441847      0.516671      2.190733    0.00   0.000101642   0.000000427  -0.000089792
 H     -0.430703      0.777725     -1.843842    0.00  -0.000045873   0.000015213  -0.000011369
 O     -1.108802     -1.588092      1.473412    0.00  -0.000173515   0.000206643  -0.000103706
 C     -1.829176     -1.555351     -1.363645    0.00  -0.000072362  -0.000034318   0.000001955
 H     -2.097697     -2.437353     -0.764413    0.00   0.000032887  -0.000009336   0.000002076
 H     -2.596615     -1.433900     -2.135242    0.00  -0.000027211  -0.000017237   0.000023322
 H     -0.881319     -1.780773     -1.866591    0.00  -0.000016217   0.000021176  -0.000023457
 H     -0.386271     -2.234535      1.626838    0.00  -0.000025530   0.000186633   0.000174860
 O      0.501060     -1.086073     -0.033165    0.00  -0.000094725  -0.000272706  -0.000408706
 O      1.700885     -0.458779      0.425662    0.00  -0.000086177  -0.000515848  -0.000164643
 C      2.411440     -0.143811     -0.751660    0.00   0.000071558   0.000283086   0.000166932
 H      1.893750     -0.410666     -1.672948    0.00   0.000020475   0.000076346   0.000000038
 O      3.487993      0.365628     -0.578298    0.00   0.000069421   0.000125765   0.000964427
26
 Energy =      -0.201848565969
 C     -0.179362      1.977688      0.693666    0.00   0.000228593   0.000056343  -0.000413405
 C     -1.251694      2.173597     -0.384974    0.00  -0.000356462  -0.000032045   0.000167218
 C     -1.377873      0.940911     -1.288174    0.00  -0.000451348   0.000046087   0.000071396
 C     -1.727195     -0.317639     -0.474978    0.00  -0.000119592  -0.000035928   0.000071417
 C     -0.665486     -0.515194      0.636707    0.00   0.000097447   0.000005416  -0.000133940
 C     -0.412403      0.706758      1.514121    0.00   0.000713173   0.000028225  -0.000311770
 H     -2.156536      1.112366     -2.055740    0.00  -0.000054236   0.000001281   0.000024153
 H     -2.227793      2.393683      0.090041    0.00  -0.000007578  -0.000032549   0.000054443
 H     -1.007133      3.063036     -0.997014    0.00  -0.000076942   0.000005047   0.000019349
 H      0.825250      1.936908      0.226830    0.00  -0.000007662   0.000012811  -0.000076154
 H     -0.159800      2.854612      1.370116    0.00   0.000042820   0.000002765  -0.000036105
 H     -2.707057     -0.166234      0.047560    0.00  -0.000003144  -0.000018236   0.000020611
 H     -1.286993      0.829163      2.188139    0.00   0.000103098   0.000005153   0.000011877
 H      0.452258      0.516773      2.182967    0.00   0.000087682   0.000004812  -0.000077580
 H     -0.435427      0.779310     -1.845224    0.00  -0.000049470   0.000016133  -0.000013896
 O     -1.110081     -1.586686      1.472451    0.00  -0.000082674   0.000111707  -0.000161608
 C     -1.829801     -1.555537     -1.363535    0.00  -0.000075635  -0.000015935   0.000021446
 H     -2.094496     -2.438463     -0.763855    0.00   0.000031655  -0.000006949   0.000003863
 H     -2.599544     -1.435491     -2.132999    0.00  -0.000026595  -0.000015625   0.000024516
 H     -0.882702     -1.778673     -1.868941    0.00  -0.000016437   0.000021387  -0.000020853
 H     -0.382182     -2.221545      1.646894    0.00  -0.000041247   0.000215467   0.000175346
 O      0.500530     -1.087680     -0.035708    0.00  -0.000069003  -0.000231616  -0.000384882
 O      1.700561     -0.462368      0.424875    0.00  -0.000012616  -0.000598506  -0.000107567
 C      2.411972     -0.141570     -0.750202    0.00   0.000067750   0.000252925   0.000184668
 H      1.895254     -0.403262     -1.673414    0.00   0.000015945   0.000073185   0.000004520
 O      3.488503      0.366490     -0.572388    0.00   0.000062478   0.000128643   0.000882939
26
 Energy =      -0.201911651924
 C     -0.177408      1.978178      0.690057    0.00   0.000208138   0.000054652  -0.000405324
 C     -1.254785      2.173389     -0.383637    0.00  -0.000336635  -0.000010695   0.000144146
 C     -1.381923      0.941363     -1.287542    0.00  -0.000461814   0.000054805   0.000070399
 C     -1.728253     -0.317926     -0.474287    0.00  -0.000115662  -0.000025025   0.000079253
 C     -0.664575     -0.515067      0.635449    0.00   0.000099626   0.000007006  -0.000122701
 C     -0.406445      0.707083      1.511401    0.00   0.000632249   0.000042056  -0.000296925
 H     -2.162518      1.112562     -2.053198    0.00  -0.000056367   0.000001636   0.000026014
 H     -2.229314      2.390763      0.095837    0.00  -0.000006661  -0.000025884   0.000049928
 H     -1.014809      3.064084     -0.995628    0.00  -0.000070166   0.000005447   0.000015980
 H      0.825068      1.938070      0.218702    0.00  -0.000008248   0.000009162  -0.000073120
 H     -0.155279      2.855057      1.366498    0.00   0.000041980   0.000003083  -0.000036580
 H     -2.707498     -0.168108      0.049888    0.00  -0.000002306  -0.000017096   0.000021668
 H     -1.277610      0.829890      2.189754    0.00   0.000089283   0.000007533   0.000007362
 H      0.461635      0.517292      2.175836    0.00   0.000077638   0.000007493  -0.000068641
 H     -0.440634      0.781007     -1.846915    0.00  -0.000052044   0.000016205  -0.000015642
 O     -1.111033     -1.585650      1.471088    0.00  -0.000013508   0.000042177  -0.000197508
 C     -1.830485     -1.555604     -1.363285    0.00  -0.000079668  -0.000005451   0.000033544
 H     -2.091275     -2.439440     -0.763111    0.00   0.000030708  -0.000005531   0.000004791
 H     -2.602565     -1.437010     -2.130567    0.00  -0.000026365  -0.000014622   0.000025327
 H     -0.884173     -1.776476     -1.871177    0.00  -0.000016819   0.000021429  -0.000019296
 H     -0.377532     -2.207023      1.668633    0.00  -0.000060940   0.000240511   0.000173401
 O      0.500116     -1.089093     -0.038238    0.00  -0.000050606  -0.000193811  -0.000370660
 O      1.700633     -0.466529      0.424379    0.00   0.000037361  -0.000645238  -0.000069127
 C      2.412518     -0.139437     -0.748555    0.00   0.000064638   0.000234225   0.000196843
 H      1.896417     -0.395795     -1.673530    0.00   0.000012436   0.000071350   0.000007849
 O      3.489002      0.367376     -0.566712    0.00   0.000063750   0.000124581   0.000819017
26
 Energy =      -0.201972884869
 C     -0.175561      1.978656      0.686425    0.00   0.000192302   0.000051679  -0.000394432
 C     -1.257791      2.173332     -0.382441    0.00  -0.000317233   0.000001946   0.000126481
 C     -1.386160      0.941881     -1.286895    0.00  -0.000465742   0.000057757   0.000069870
 C     -1.729316     -0.318153     -0.473512    0.00  -0.000113243  -0.000019478   0.000084047
 C     -0.663619     -0.514915      0.634242    0.00   0.000099385   0.000007118  -0.000113405
 C     -0.400947      0.707511      1.508738    0.00   0.000571588   0.000049573  -0.000283023
 H     -2.168887      1.112794     -2.050439    0.00  -0.000057391   0.000001763   0.000027334
 H     -2.230710      2.388370      0.101337    0.00  -0.000005845  -0.000020891   0.000046219
 H     -1.022052      3.065109     -0.994470    0.00  -0.000064326   0.000005454   0.000013283
 H      0.824802      1.938933      0.210671    0.00  -0.000008429   0.000006610  -0.000070054
 H     -0.150730      2.855547      1.362766    0.00   0.000040775   0.000003168  -0.000036423
 H     -2.707903     -0.169944      0.052382    0.00  -0.000001764  -0.000016328   0.000022226
 H     -1.269052      0.830812      2.190899    0.00   0.000079292   0.000009007   0.000004405
 H      0.470201      0.518088      2.169214    0.00   0.000070222   0.000009033  -0.000062137
 H     -0.446187      0.782732     -1.848834    0.00  -0.000053616   0.000015763  -0.000016697
 O     -1.111734     -1.584892      1.469442    0.00   0.000039555  -0.000006527  -0.000215719
 C     -1.831226     -1.555602     -1.362940    0.00  -0.000083670  -0.000000130   0.000041246
 H     -2.088049     -2.440342     -0.762257    0.00   0.000029867  -0.000004704   0.000005198
 H     -2.605672     -1.438487     -2.127996    0.00  -0.000026265  -0.000014006   0.000025856
 H     -0.885731     -1.774219     -1.873348    0.00  -0.000017262   0.000021307  -0.000018306
 H     -0.372852     -2.191237      1.691641    0.00  -0.000081271   0.000258711   0.000167856
 O      0.499787     -1.090303     -0.040777    0.00  -0.000038378  -0.000159385  -0.000363030
 O      1.700991     -0.471043      0.424088    0.00   0.000069771  -0.000666763  -0.000045147
 C      2.413074     -0.137364     -0.746772    0.00   0.000062401   0.000223107   0.000204413
 H      1.897299     -0.388241     -1.673373    0.00   0.000009889   0.000070350   0.000010299
 O      3.489529      0.368237     -0.561250    0.00   0.000069390   0.000115868   0.000769640
26
 Energy =      -0.202032463765
 C     -0.173797      1.979113      0.682798    0.00   0.000179443   0.000047874  -0.000382406
 C     -1.260705      2.173366     -0.381356    0.00  -0.000299228   0.000008809   0.000112796
 C     -1.390526      0.942424     -1.286231    0.00  -0.000464410   0.000057153   0.000069280
 C     -1.730392     -0.318355     -0.472676    0.00  -0.000111416  -0.000017124   0.000086534
 C     -0.662638     -0.514750      0.633078    0.00   0.000097762   0.000006782  -0.000105562
 C     -0.395797      0.708000      1.506133    0.00   0.000524215   0.000053182  -0.000269983
 H     -2.175526      1.113038     -2.047515    0.00  -0.000057540   0.000001728   0.000028135
 H     -2.231988      2.386379      0.106586    0.00  -0.000005078  -0.000017222   0.000043097
 H     -1.028911      3.066085     -0.993494    0.00  -0.000059391   0.000005188   0.000011211
 H      0.824480      1.939573      0.202763    0.00  -0.000008458   0.000004727  -0.000067088
 H     -0.146196      2.856059      1.358970    0.00   0.000039419   0.000003108  -0.000035939
 H     -2.708286     -0.171760      0.054992    0.00  -0.000001395  -0.000015749   0.000022412
 H     -1.261102      0.831867      2.191725    0.00   0.000071903   0.000009883   0.000002460
 H      0.478169      0.519058      2.162969    0.00   0.000064469   0.000009795  -0.000057272
 H     -0.451990      0.784436     -1.850913    0.00  -0.000054342   0.000015045  -0.000017219
 O     -1.112232     -1.584328      1.467614    0.00   0.000080755  -0.000037209  -0.000218908
 C     -1.832024     -1.555565     -1.362527    0.00  -0.000087339   0.000001822   0.000046246
 H     -2.084830     -2.441210     -0.761338    0.00   0.000028954  -0.000004214   0.000005289
 H     -2.608864     -1.439948     -2.125315    0.00  -0.000026138  -0.000013602   0.000026142
 H     -0.887377     -1.771927     -1.875489    0.00  -0.000017711   0.000020990  -0.000017584
 H     -0.368562     -2.174499      1.715440    0.00  -0.000099455   0.000267938   0.000158061
 O      0.499512     -1.091314     -0.043354    0.00  -0.000031202  -0.000127607  -0.000360195
 O      1.701544     -0.475772      0.423925    0.00   0.000089857  -0.000671988  -0.000031622
 C      2.413641     -0.135308     -0.744888    0.00   0.000061098   0.000216526   0.000208617
 H      1.897972     -0.380556     -1.673010    0.00   0.000008145   0.000069815   0.000012154
 O      3.490111      0.369047     -0.555943    0.00   0.000077082   0.000104348   0.000731346
26
 Energy =      -0.202090238071
 C     -0.172096      1.979543      0.679175    0.00   0.000168185   0.000043668  -0.000369946
 C     -1.263545      2.173453     -0.380353    0.00  -0.000282874   0.000011951   0.000101839
 C     -1.394995      0.942967     -1.285553    0.00  -0.000459012   0.000054462   0.000068210
 C     -1.731485     -0.318553     -0.471795    0.00  -0.000109636  -0.000016604   0.000087108
 C     -0.661643     -0.514578      0.631949    0.00   0.000095530   0.000006746  -0.000099061
 C     -0.390902      0.708527      1.503574    0.00   0.000484984   0.000054585  -0.000257659
 H     -2.182374      1.113280     -2.044456    0.00  -0.000057013   0.000001581   0.000028495
 H     -2.233167      2.384679      0.111645    0.00  -0.000004356  -0.000014546   0.000040372
 H     -1.035472      3.067002     -0.992657    0.00  -0.000055211   0.000004751   0.000009639
 H      0.824115      1.940042      0.194954    0.00  -0.000008483   0.000003276  -0.000064213
 H     -0.141680      2.856577      1.355122    0.00   0.000037976   0.000002955  -0.000035299
 H     -2.708657     -0.173575      0.057693    0.00  -0.000001116  -0.000015252   0.000022308
 H     -1.253580      0.833016      2.192338    0.00   0.000066165   0.000010342   0.000001158
 H      0.485716      0.520132      2.156981    0.00   0.000059695   0.000010017  -0.000053436
 H     -0.457995      0.786101     -1.853112    0.00  -0.000054415   0.000014207  -0.000017364
 O     -1.112546     -1.583883      1.465699    0.00   0.000112717  -0.000051600  -0.000209034
 C     -1.832880     -1.555519     -1.362063    0.00  -0.000090584   0.000001602   0.000049432
 H     -2.081625     -2.442071     -0.760381    0.00   0.000027839  -0.000003897   0.000005183
 H     -2.612144     -1.441413     -2.122538    0.00  -0.000025884  -0.000013281   0.000026185
 H     -0.889116     -1.769615     -1.877625    0.00  -0.000018133   0.000020445  -0.000016953
 H     -0.364954     -2.157172      1.739487    0.00  -0.000112857   0.000266703   0.000143991
 O      0.499261     -1.092134     -0.046008    0.00  -0.000028182  -0.000097687  -0.000360960
 O      1.702230     -0.480648      0.423834    0.00   0.000101528  -0.000667518  -0.000025421
 C      2.414226     -0.133233     -0.742917    0.00   0.000060645   0.000212422   0.000210511
 H      1.898497     -0.372676     -1.672488    0.00   0.000007041   0.000069512   0.000013662
 O      3.490766      0.369789     -0.550717    0.00   0.000085450   0.000091161   0.000701251
26
 Energy =       -0.20214587537
 C     -0.170440      1.979947      0.675539    0.00   0.000157461   0.000039514  -0.000357291
 C     -1.266337      2.173564     -0.379411    0.00  -0.000268122   0.000012811   0.000092555
 C     -1.399565      0.943499     -1.284863    0.00  -0.000450504   0.000050652   0.000066369
 C     -1.732601     -0.318761     -0.470881    0.00  -0.000107624  -0.000017060   0.000086117
 C     -0.660635     -0.514398      0.630840    0.00   0.000093164   0.000007557  -0.000093948
 C     -0.386187      0.709081      1.501039    0.00   0.000450378   0.000054927  -0.000245964
 H     -2.189411      1.113512     -2.041281    0.00  -0.000055967   0.000001362   0.000028493
 H     -2.234272      2.383183      0.116577    0.00  -0.000003682  -0.000012589   0.000037880
 H     -1.041829      3.067861     -0.991924    0.00  -0.000051627   0.000004222   0.000008441
 H      0.823709      1.940373      0.187190    0.00  -0.000008579   0.000002139  -0.000061383
 H     -0.137167      2.857097      1.351208    0.00   0.000036425   0.000002756  -0.000034574
 H     -2.709020     -0.175402      0.060474    0.00  -0.000000873  -0.000014787   0.000021981
 H     -1.246344      0.834238      2.192807    0.00   0.000061418   0.000010490   0.000000253
 H      0.492970      0.521268      2.151153    0.00   0.000055424   0.000009868  -0.000050194
 H     -0.464185      0.787725     -1.855411    0.00  -0.000054001   0.000013341  -0.000017248
 O     -1.112675     -1.583486      1.463787    0.00   0.000136828  -0.000051140  -0.000188259
 C     -1.833800     -1.555481     -1.361556    0.00  -0.000093386   0.000000061   0.000051281
 H     -2.078449     -2.442939     -0.759403    0.00   0.000026441  -0.000003653   0.000004956
 H     -2.615519     -1.442895     -2.119672    0.00  -0.000025456  -0.000012950   0.000025985
 H     -0.890958     -1.767295     -1.879776    0.00  -0.000018508   0.000019664  -0.000016306
 H     -0.362185     -2.139687      1.763168    0.00  -0.000118997   0.000254234   0.000126390
 O      0.499006     -1.092767     -0.048783    0.00  -0.000028576  -0.000069172  -0.000364338
 O      1.703010     -0.485656      0.423772    0.00   0.000107441  -0.000657970  -0.000024348
 C      2.414837     -0.131109     -0.740861    0.00   0.000060843   0.000209567   0.000210897
 H      1.898922     -0.364523     -1.671839    0.00   0.000006417   0.000069347   0.000015028
 O      3.491507      0.370454     -0.545492    0.00   0.000093661   0.000076812   0.000677225
26
 Energy =      -0.202199007413
 C     -0.168820      1.980328      0.671865    0.00   0.000146486   0.000035864  -0.000344478
 C     -1.269113      2.173684     -0.378517    0.00  -0.000254832   0.000012430   0.000084111
 C     -1.404249      0.944014     -1.284163    0.00  -0.000439629   0.000046342   0.000063643
 C     -1.733746     -0.318986     -0.469941    0.00  -0.000105332  -0.000017879   0.000083940
 C     -0.659611     -0.514202      0.629737    0.00   0.000090929   0.000009507  -0.000090288
 C     -0.381600      0.709662      1.498507    0.00   0.000418260   0.000054994  -0.000234887
 H     -2.196644      1.113728     -2.037995    0.00  -0.000054525   0.000001091   0.000028201
 H     -2.235326      2.381825      0.121430    0.00  -0.000003076  -0.000011128   0.000035498
 H     -1.048071      3.068670     -0.991272    0.00  -0.000048490   0.000003658   0.000007490
 H      0.823256      1.940593      0.179415    0.00  -0.000008777   0.000001279  -0.000058542
 H     -0.132643      2.857622      1.347208    0.00   0.000034713   0.000002556  -0.000033794
 H     -2.709376     -0.177256      0.063338    0.00  -0.000000641  -0.000014315   0.000021481
 H     -1.239294      0.835518      2.193173    0.00   0.000057224   0.000010382  -0.000000425
 H      0.500022      0.522438      2.145412    0.00   0.000051367   0.000009489  -0.000047267
 H     -0.470568      0.789315     -1.857807    0.00  -0.000053233   0.000012494  -0.000016957
 O     -1.112596     -1.583075      1.461965    0.00   0.000153763  -0.000037700  -0.000159510
 C     -1.834791     -1.555462     -1.361011    0.00  -0.000095779  -0.000002152   0.000052135
 H     -2.075320     -2.443824     -0.758412    0.00   0.000024740  -0.000003421   0.000004670
 H     -2.618999     -1.444400     -2.116720    0.00  -0.000024835  -0.000012551   0.000025544
 H     -0.892917     -1.764978     -1.881953    0.00  -0.000018816   0.000018659  -0.000015580
 H     -0.360271     -2.122546      1.785794    0.00  -0.000115892   0.000230800   0.000106791
 O      0.498723     -1.093215     -0.051726    0.00  -0.000031689  -0.000041989  -0.000369435
 O      1.703859     -0.490815      0.423708    0.00   0.000109336  -0.000646417  -0.000026905
 C      2.415482     -0.128910     -0.738713    0.00   0.000061403   0.000207327   0.000210337
 H      1.899283     -0.356004     -1.671077    0.00   0.000006143   0.000069299   0.000016422
 O      3.492349      0.371034     -0.540190    0.00   0.000101182   0.000061381   0.000657804
26
 Energy =      -0.202249370336
 C     -0.167236      1.980696      0.668134    0.00   0.000134791   0.000033148  -0.000331523
 C     -1.271903      2.173805     -0.377666    0.00  -0.000242881   0.000011573   0.000075902
 C     -1.409060      0.944509     -1.283462    0.00  -0.000427026   0.000041933   0.000060105
 C     -1.734924     -0.319232     -0.468980    0.00  -0.000102864  -0.000018663   0.000081056
 C     -0.658565     -0.513982      0.628625    0.00   0.000088921   0.000012620  -0.000088060
 C     -0.377111      0.710276      1.495956    0.00   0.000387589   0.000055283  -0.000224498
 H     -2.204084      1.113925     -2.034606    0.00  -0.000052784   0.000000780   0.000027676
 H     -2.236354      2.380561      0.126237    0.00  -0.000002565  -0.000009987   0.000033144
 H     -1.054268      3.069434     -0.990690    0.00  -0.000045690   0.000003103   0.000006678
 H      0.822745      1.940729      0.171588    0.00  -0.000009071   0.000000707  -0.000055668
 H     -0.128107      2.858158      1.343101    0.00   0.000032793   0.000002397  -0.000032950
 H     -2.709726     -0.179144      0.066287    0.00  -0.000000420  -0.000013813   0.000020869
 H     -1.232372      0.836843      2.193457    0.00   0.000053329   0.000010067  -0.000000984
 H      0.506919      0.523626      2.139713    0.00   0.000047397   0.000009005  -0.000044494
 H     -0.477158      0.790881     -1.860302    0.00  -0.000052206   0.000011683  -0.000016540
 O     -1.112273     -1.582592      1.460321    0.00   0.000164286  -0.000014178  -0.000126543
 C     -1.835861     -1.555468     -1.360428    0.00  -0.000097851  -0.000004520   0.000052332
 H     -2.072267     -2.444725     -0.757410    0.00   0.000022757  -0.000003178   0.000004387
 H     -2.622588     -1.445928     -2.113687    0.00  -0.000024048  -0.000012050   0.000024886
 H     -0.895005     -1.762677     -1.884159    0.00  -0.000019035   0.000017464  -0.000014740
 H     -0.359081     -2.106316      1.806629    0.00  -0.000102831   0.000198145   0.000087241
 O      0.498386     -1.093474     -0.054881    0.00  -0.000036780  -0.000016371  -0.000375401
 O      1.704761     -0.496161      0.423619    0.00   0.000108351  -0.000634767  -0.000032086
 C      2.416167     -0.126612     -0.736459    0.00   0.000062023   0.000205460   0.000209256
 H      1.899599     -0.347024     -1.670209    0.00   0.000006108   0.000069399   0.000017971
 O      3.493303      0.371514     -0.534741    0.00   0.000107707   0.000044759   0.000641983
26
 Energy =      -0.202296920569
 C     -0.165701      1.981061      0.664336    0.00   0.000122230   0.000031689  -0.000318500
 C     -1.274725      2.173925     -0.376861    0.00  -0.000232227   0.000010762   0.000067603
 C     -1.414002      0.944983     -1.282765    0.00  -0.000413317   0.000037659   0.000056014
 C     -1.736139     -0.319496     -0.468003    0.00  -0.000100425  -0.000019156   0.000077999
 C     -0.657495     -0.513726      0.627493    0.00   0.000087081   0.000016611  -0.000087066
 C     -0.372711      0.710932      1.493372    0.00   0.000358228   0.000056023  -0.000214920
 H     -2.211728      1.114097     -2.031128    0.00  -0.000050848   0.000000439   0.000026962
 H     -2.237378      2.379367      0.130999    0.00  -0.000002188  -0.000009031   0.000030790
 H     -1.060460      3.070158     -0.990177    0.00  -0.000043155   0.000002593   0.000005914
 H      0.822161      1.940812      0.163699    0.00  -0.000009416   0.000000444  -0.000052779
 H     -0.123585      2.858718      1.338882    0.00   0.000030647   0.000002323  -0.000032025
 H     -2.710068     -0.181067      0.069325    0.00  -0.000000219  -0.000013265   0.000020206
 H     -1.225558      0.838199      2.193667    0.00   0.000049623   0.000009593  -0.000001474
 H      0.513669      0.524826      2.134037    0.00   0.000043529   0.000008530  -0.000041823
 H     -0.483951      0.792425     -1.862895    0.00  -0.000050982   0.000010906  -0.000016033
 O     -1.111666     -1.581991      1.458935    0.00   0.000170098   0.000015187  -0.000093309
 C     -1.837020     -1.555504     -1.359808    0.00  -0.000099772  -0.000006655   0.000052274
 H     -2.069331     -2.445637     -0.756400    0.00   0.000020560  -0.000002931   0.000004166
 H     -2.626279     -1.447469     -2.110587    0.00  -0.000023155  -0.000011441   0.000024046
 H     -0.897227     -1.760414     -1.886380    0.00  -0.000019145   0.000016134  -0.000013783
 H     -0.358358     -2.091575      1.824958    0.00  -0.000081304   0.000159782   0.000069619
 O      0.497976     -1.093539     -0.058279    0.00  -0.000043008   0.000007313  -0.000381500
 O      1.705703     -0.501724      0.423484    0.00   0.000105309  -0.000624027  -0.000039143
 C      2.416894     -0.124199     -0.734091    0.00   0.000062461   0.000203945   0.000207976
 H      1.899874     -0.337502     -1.669234    0.00   0.000006231   0.000069674   0.000019740
 O      3.494377      0.371875     -0.529093    0.00   0.000113163   0.000026897   0.000629045
26
 Energy =       -0.20234188275
 C     -0.164238      1.981440      0.660484    0.00   0.000108984   0.000031606  -0.000305575
 C     -1.277585      2.174045     -0.376113    0.00  -0.000222898   0.000010277   0.000059166
 C     -1.419056      0.945434     -1.282083    0.00  -0.000399154   0.000033626   0.000051744
 C     -1.737389     -0.319774     -0.467016    0.00  -0.000098215  -0.000019236   0.000075237
 C     -0.656402     -0.513424      0.626333    0.00   0.000085288   0.000020954  -0.000086925
 C     -0.368417      0.711637      1.490753    0.00   0.000330626   0.000057224  -0.000206277
 H     -2.219537      1.114236     -2.027588    0.00  -0.000048833   0.000000079   0.000026103
 H     -2.238412      2.378237      0.135690    0.00  -0.000001993  -0.000008171   0.000028467
 H     -1.066651      3.070847     -0.989743    0.00  -0.000040851   0.000002159   0.000005138
 H      0.821493      1.940884      0.155780    0.00  -0.000009747   0.000000489  -0.000049941
 H     -0.119134      2.859311      1.334568    0.00   0.000028312   0.000002364  -0.000031002
 H     -2.710402     -0.183011      0.072442    0.00  -0.000000053  -0.000012665   0.000019561
 H     -1.218875      0.839566      2.193801    0.00   0.000046107   0.000009023  -0.000001901
 H      0.520245      0.526036      2.128396    0.00   0.000039888   0.000008144  -0.000039286
 H     -0.490917      0.793941     -1.865571    0.00  -0.000049607   0.000010151  -0.000015464
 O     -1.110737     -1.581247      1.457864    0.00   0.000174189   0.000045169  -0.000062878
 C     -1.838269     -1.555567     -1.359150    0.00  -0.000101769  -0.000008353   0.000052381
 H     -2.066564     -2.446544     -0.755379    0.00   0.000018241  -0.000002705   0.000004061
 H     -2.630051     -1.449004     -2.107443    0.00  -0.000022255  -0.000010746   0.000023085
 H     -0.899579     -1.758216     -1.888590    0.00  -0.000019135   0.000014739  -0.000012736
 H     -0.357762     -2.078813      1.840220    0.00  -0.000055345   0.000120661   0.000054790
 O      0.497480     -1.093408     -0.061933    0.00  -0.000049507   0.000028745  -0.000387189
 O      1.706667     -0.507511      0.423287    0.00   0.000100921  -0.000614495  -0.000047432
 C      2.417659     -0.121664     -0.731610    0.00   0.000062620   0.000202839   0.000206741
 H      1.900107     -0.327396     -1.668150    0.00   0.000006445   0.000070129   0.000021704
 O      3.495573      0.372090     -0.523225    0.00   0.000117741   0.000007993   0.000618428
26
 Energy =      -0.202384695418
 C     -0.162877      1.981848      0.656607    0.00   0.000095493   0.000032764  -0.000293001
 C     -1.280475      2.174169     -0.375437    0.00  -0.000214945   0.000010168   0.000050802
 C     -1.424182      0.945858     -1.281423    0.00  -0.000385199   0.000029856   0.000047668
 C     -1.738672     -0.320058     -0.466020    0.00  -0.000096370  -0.000018909   0.000073056
 C     -0.655292     -0.513071      0.625147    0.00   0.000083444   0.000025061  -0.000087125
 C     -0.364255      0.712395      1.488108    0.00   0.000305459   0.000058717  -0.000198644
 H     -2.227439      1.114335     -2.024029    0.00  -0.000046852  -0.000000282   0.000025138
 H     -2.239470      2.377176      0.140258    0.00  -0.000002005  -0.000007365   0.000026244
 H     -1.072813      3.071498     -0.989402    0.00  -0.000038776   0.000001815   0.000004326
 H      0.820733      1.940987      0.147897    0.00  -0.000010006   0.000000807  -0.000047241
 H     -0.114831      2.859950      1.330198    0.00   0.000025872   0.000002526  -0.000029883
 H     -2.710727     -0.184951      0.075621    0.00   0.000000072  -0.000012027   0.000018991
 H     -1.212365      0.840922      2.193859    0.00   0.000042852   0.000008425  -0.000002253
 H      0.526603      0.527259      2.122821    0.00   0.000036620   0.000007885  -0.000036960
 H     -0.497993      0.795415     -1.868297    0.00  -0.000048125   0.000009410  -0.000014865
 O     -1.109467     -1.580360      1.457131    0.00   0.000179967   0.000070877  -0.000036733
 C     -1.839611     -1.555656     -1.358452    0.00  -0.000104071  -0.000009592   0.000053002
 H     -2.064022     -2.447432     -0.754345    0.00   0.000015907  -0.000002525   0.000004099
 H     -2.633870     -1.450509     -2.104288    0.00  -0.000021448  -0.000010009   0.000022085
 H     -0.902048     -1.756115     -1.890747    0.00  -0.000019022   0.000013344  -0.000011654
 H     -0.356964     -2.068307      1.852155    0.00  -0.000030308   0.000085779   0.000042371
 O      0.496892     -1.093083     -0.065827    0.00  -0.000055538   0.000047810  -0.000392197
 O      1.707637     -0.513501      0.423016    0.00   0.000095857  -0.000605968  -0.000056335
 C      2.418453     -0.119015     -0.729025    0.00   0.000062591   0.000202159   0.000205711
 H      1.900287     -0.316719     -1.666953    0.00   0.000006709   0.000070719   0.000023747
 O      3.496889      0.372134     -0.517152    0.00   0.000121820  -0.000011446   0.000609652
26
 Energy =      -0.202425877717
 C     -0.161643      1.982297      0.652742    0.00   0.000082290   0.000034827  -0.000281052
 C     -1.283380      2.174300     -0.374843    0.00  -0.000208373   0.000010316   0.000042847
 C     -1.429327      0.946250     -1.280792    0.00  -0.000371992   0.000026339   0.000044065
 C     -1.739980     -0.320343     -0.465019    0.00  -0.000094923  -0.000018278   0.000071538
 C     -0.654173     -0.512668      0.623940    0.00   0.000081541   0.000028508  -0.000087258
 C     -0.360253      0.713204      1.485456    0.00   0.000283252   0.000060279  -0.000192005
 H     -2.235346      1.114384     -2.020495    0.00  -0.000044996  -0.000000635   0.000024113
 H     -2.240559      2.376191      0.144652    0.00  -0.000002209  -0.000006613   0.000024194
 H     -1.078905      3.072109     -0.989164    0.00  -0.000036945   0.000001557   0.000003498
 H      0.819877      1.941165      0.140132    0.00  -0.000010169   0.000001325  -0.000044759
 H     -0.110753      2.860638      1.325826    0.00   0.000023437   0.000002789  -0.000028704
 H     -2.711043     -0.186858      0.078842    0.00   0.000000157  -0.000011368   0.000018529
 H     -1.206072      0.842247      2.193844    0.00   0.000039942   0.000007852  -0.000002518
 H      0.532707      0.528500      2.117345    0.00   0.000033822   0.000007748  -0.000034921
 H     -0.505101      0.796830     -1.871034    0.00  -0.000046587   0.000008687  -0.000014262
 O     -1.107861     -1.579351      1.456717    0.00   0.000189441   0.000089432  -0.000015121
 C     -1.841040     -1.555766     -1.357711    0.00  -0.000106835  -0.000010502   0.000054323
 H     -2.061744     -2.448284     -0.753292    0.00   0.000013662  -0.000002396   0.000004275
 H     -2.637702     -1.451965     -2.101148    0.00  -0.000020801  -0.000009286   0.000021130
 H     -0.904614     -1.754142     -1.892810    0.00  -0.000018852   0.000012010  -0.000010594
 H     -0.355728     -2.060055      1.860873    0.00  -0.000010343   0.000058316   0.000031488
 O      0.496221     -1.092573     -0.069930    0.00  -0.000060611   0.000064637  -0.000396472
 O      1.708599     -0.519645      0.422663    0.00   0.000090678  -0.000597981  -0.000065318
 C      2.419268     -0.116270     -0.726358    0.00   0.000062601   0.000201824   0.000204956
 H      1.900411     -0.305535     -1.665643    0.00   0.000006996   0.000071364   0.000025723
 O      3.498316      0.371988     -0.510915    0.00   0.000125816  -0.000030752   0.000602305
26
 Energy =      -0.202465897119
 C     -0.160554      1.982795      0.648925    0.00   0.000069813   0.000037392  -0.000269964
 C     -1.286286      2.174439     -0.374336    0.00  -0.000203100   0.000010556   0.000035626
 C     -1.434447      0.946606     -1.280189    0.00  -0.000359880   0.000023050   0.000041055
 C     -1.741306     -0.320622     -0.464012    0.00  -0.000093857  -0.000017488   0.000070622
 C     -0.653053     -0.512219      0.622718    0.00   0.000079674   0.000031166  -0.000087155
 C     -0.356426      0.714057      1.482813    0.00   0.000264176   0.000061728  -0.000186260
 H     -2.243182      1.114377     -2.017022    0.00  -0.000043314  -0.000000968   0.000023084
 H     -2.241681      2.375288      0.148836    0.00  -0.000002552  -0.000005935   0.000022364
 H     -1.084894      3.072681     -0.989032    0.00  -0.000035364   0.000001364   0.000002699
 H      0.818930      1.941446      0.132548    0.00  -0.000010258   0.000001961  -0.000042535
 H     -0.106958      2.861377      1.321498    0.00   0.000021108   0.000003110  -0.000027521
 H     -2.711350     -0.188709      0.082086    0.00   0.000000211  -0.000010715   0.000018177
 H     -1.200019      0.843525      2.193765    0.00   0.000037427   0.000007334  -0.000002699
 H      0.538542      0.529762      2.111990    0.00   0.000031507   0.000007704  -0.000033207
 H     -0.512172      0.798170     -1.873743    0.00  -0.000045056   0.000007991  -0.000013675
 O     -1.105944     -1.578255      1.456572    0.00   0.000202275   0.000100596   0.000002114
 C     -1.842555     -1.555894     -1.356924    0.00  -0.000110082  -0.000011251   0.000056327
 H     -2.059753     -2.449093     -0.752210    0.00   0.000011585  -0.000002305   0.000004564
 H     -2.641525     -1.453358     -2.098041    0.00  -0.000020337  -0.000008627   0.000020299
 H     -0.907262     -1.752316     -1.894747    0.00  -0.000018688   0.000010774  -0.000009598
 H     -0.353953     -2.053809      1.866780    0.00   0.000003265   0.000038785   0.000021694
 O      0.495480     -1.091889     -0.074199    0.00  -0.000064522   0.000079522  -0.000400044
 O      1.709539     -0.525887      0.422223    0.00   0.000085748  -0.000590064  -0.000074023
 C      2.420097     -0.113450     -0.723626    0.00   0.000062902   0.000201657   0.000204483
 H      1.900483     -0.293930     -1.664223    0.00   0.000007309   0.000071966   0.000027524
 O      3.499845      0.371646     -0.504561    0.00   0.000130010  -0.000049301   0.000596049
26
 Energy =      -0.202505103245
 C     -0.159614      1.983343      0.645177    0.00   0.000058339   0.000040112  -0.000259867
 C     -1.289184      2.174585     -0.373911    0.00  -0.000198970   0.000010751   0.000029332
 C     -1.439510      0.946924     -1.279613    0.00  -0.000349009   0.000019987   0.000038645
 C     -1.742646     -0.320892     -0.462999    0.00  -0.000093107  -0.000016666   0.000070183
 C     -0.651937     -0.511733      0.621489    0.00   0.000077943   0.000033126  -0.000086828
 C     -0.352770      0.714948      1.480190    0.00   0.000248063   0.000062950  -0.000181290
 H     -2.250895      1.114310     -2.013631    0.00  -0.000041816  -0.000001282   0.000022096
 H     -2.242841      2.374461      0.152796    0.00  -0.000002969  -0.000005353   0.000020769
 H     -1.090762      3.073211     -0.989002    0.00  -0.000034030   0.000001213   0.000001971
 H      0.817896      1.941848      0.125182    0.00  -0.000010309   0.000002639  -0.000040574
 H     -0.103470      2.862164      1.317244    0.00   0.000018949   0.000003446  -0.000026387
 H     -2.711647     -0.190488      0.085342    0.00   0.000000246  -0.000010085   0.000017920
 H     -1.194204      0.844750      2.193635    0.00   0.000035310   0.000006879  -0.000002814
 H      0.544118      0.531048      2.106760    0.00   0.000029618   0.000007722  -0.000031803
 H     -0.519158      0.799428     -1.876397    0.00  -0.000043591   0.000007339  -0.000013113
 O     -1.103756     -1.577107      1.456635    0.00   0.000216676   0.000105881   0.000015151
 C     -1.844151     -1.556039     -1.356088    0.00  -0.000113731  -0.000011970   0.000058871
 H     -2.058044     -2.449857     -0.751088    0.00   0.000009724  -0.000002237   0.000004928
 H     -2.645332     -1.454687     -2.094967    0.00  -0.000020042  -0.000008061   0.000019637
 H     -0.909981     -1.750642     -1.896546    0.00  -0.000018580   0.000009653  -0.000008690
 H     -0.351647     -2.049195      1.870419    0.00   0.000011529   0.000025818   0.000013110
 O      0.494686     -1.091046     -0.078599    0.00  -0.000067283   0.000092799  -0.000402963
 O      1.710451     -0.532174      0.421698    0.00   0.000081226  -0.000581871  -0.000082269
 C      2.420941     -0.110575     -0.720846    0.00   0.000063686   0.000201437   0.000204265
 H      1.900515     -0.281992     -1.662691    0.00   0.000007659   0.000072445   0.000029106
 O      3.501468      0.371111     -0.498131    0.00   0.000134469  -0.000066674   0.000590615
26
 Energy =      -0.202543727548
 C     -0.158819      1.983942      0.641508    0.00   0.000047965   0.000042751  -0.000250799
 C     -1.292071      2.174737     -0.373561    0.00  -0.000195800   0.000010834   0.000024022
 C     -1.444501      0.947204     -1.279060    0.00  -0.000339380   0.000017158   0.000036770
 C     -1.743997     -0.321153     -0.461978    0.00  -0.000092603  -0.000015894   0.000070086
 C     -0.650827     -0.511215      0.620256    0.00   0.000076407   0.000034555  -0.000086385
 C     -0.349274      0.715867      1.477596    0.00   0.000234534   0.000063924  -0.000176955
 H     -2.258460      1.114183     -2.010332    0.00  -0.000040493  -0.000001573   0.000021182
 H     -2.244039      2.373702      0.156541    0.00  -0.000003405  -0.000004871   0.000019399
 H     -1.096512      3.073703     -0.989062    0.00  -0.000032922   0.000001086   0.000001342
 H      0.816781      1.942375      0.118042    0.00  -0.000010356   0.000003305  -0.000038859
 H     -0.100289      2.862996      1.313083    0.00   0.000016994   0.000003764  -0.000025340
 H     -2.711937     -0.192188      0.088605    0.00   0.000000271  -0.000009495   0.000017739
 H     -1.188610      0.845921      2.193465    0.00   0.000033550   0.000006485  -0.000002880
 H      0.549462      0.532360      2.101645    0.00   0.000028081   0.000007775  -0.000030670
 H     -0.526035      0.800602     -1.878979    0.00  -0.000042231   0.000006742  -0.000012580
 O     -1.101339     -1.575936      1.456845    0.00   0.000230834   0.000107215   0.000024312
 C     -1.845826     -1.556199     -1.355201    0.00  -0.000117634  -0.000012719   0.000061757
 H     -2.056599     -2.450576     -0.749917    0.00   0.000008097  -0.000002177   0.000005332
 H     -2.649127     -1.455958     -2.091919    0.00  -0.000019886  -0.000007598   0.000019153
 H     -0.912769     -1.749118     -1.898206    0.00  -0.000018554   0.000008655  -0.000007881
 H     -0.348873     -2.045830      1.872329    0.00   0.000016218   0.000017513   0.000005969
 O      0.493852     -1.090056     -0.083098    0.00  -0.000069021   0.000104732  -0.000405254
 O      1.711333     -0.538467      0.421088    0.00   0.000077114  -0.000573199  -0.000089986
 C      2.421804     -0.107665     -0.718028    0.00   0.000065036   0.000200956   0.000204259
 H      1.900529     -0.269799     -1.661049    0.00   0.000008062   0.000072743   0.000030469
 O      3.503179      0.370390     -0.491654    0.00   0.000139122  -0.000082670   0.000585797
26
 Energy =      -0.202581912565
 C     -0.158161      1.984586      0.637920    0.00   0.000038675   0.000045179  -0.000242709
 C     -1.294950      2.174892     -0.373275    0.00  -0.000193405   0.000010796   0.000019647
 C     -1.449418      0.947448     -1.278526    0.00  -0.000330919   0.000014573   0.000035343
 C     -1.745357     -0.321406     -0.460947    0.00  -0.000092278  -0.000015205   0.000070218
 C     -0.649724     -0.510672      0.619020    0.00   0.000075073   0.000035618  -0.000085919
 C     -0.345919      0.716810      1.475031    0.00   0.000223133   0.000064656  -0.000173154
 H     -2.265873      1.113998     -2.007121    0.00  -0.000039323  -0.000001842   0.000020358
 H     -2.245277      2.372999      0.160088    0.00  -0.000003830  -0.000004485   0.000018231
 H     -1.102156      3.074159     -0.989198    0.00  -0.000032010   0.000000974   0.000000818
 H      0.815592      1.943023      0.111119    0.00  -0.000010414   0.000003926  -0.000037362
 H     -0.097400      2.863867      1.309016    0.00   0.000015248   0.000004051  -0.000024392
 H     -2.712218     -0.193808      0.091875    0.00   0.000000293  -0.000008950   0.000017612
 H     -1.183210      0.847040      2.193266    0.00   0.000032089   0.000006140  -0.000002915
 H      0.554603      0.533697      2.096632    0.00   0.000026812   0.000007847  -0.000029753
 H     -0.532795      0.801695     -1.881481    0.00  -0.000040997   0.000006206  -0.000012078
 O     -1.098729     -1.574764      1.457150    0.00   0.000243663   0.000106167   0.000030135
 C     -1.847580     -1.556375     -1.354260    0.00  -0.000121629  -0.000013502   0.000064795
 H     -2.055393     -2.451256     -0.748689    0.00   0.000006699  -0.000002119   0.000005749
 H     -2.652923     -1.457180     -2.088883    0.00  -0.000019836  -0.000007233   0.000018831
 H     -0.915627     -1.747735     -1.899735    0.00  -0.000018610   0.000007778  -0.000007170
 H     -0.345712     -2.043379      1.872962    0.00   0.000018817   0.000012254   0.000000325
 O      0.492994     -1.088932     -0.087675    0.00  -0.000069903   0.000115533  -0.000406922
 O      1.712184     -0.544737      0.420395    0.00   0.000073353  -0.000564000  -0.000097160
 C      2.422693     -0.104732     -0.715178    0.00   0.000066944   0.000200059   0.000204405
 H      1.900548     -0.257419     -1.659297    0.00   0.000008522   0.000072827   0.000031631
 O      3.504973      0.369496     -0.485148    0.00   0.000143834  -0.000097250   0.000581437
26
 Energy =       -0.20261974269
 C     -0.157627      1.985271      0.634408    0.00   0.000030382   0.000047342  -0.000235506
 C     -1.297824      2.175047     -0.373041    0.00  -0.000191619   0.000010657   0.000016106
 C     -1.454264      0.947657     -1.278005    0.00  -0.000323511   0.000012245   0.000034279
 C     -1.746727     -0.321650     -0.459904    0.00  -0.000092065  -0.000014607   0.000070486
 C     -0.648628     -0.510108      0.617783    0.00   0.000073913   0.000036431  -0.000085491
 C     -0.342690      0.717771      1.472495    0.00   0.000213425   0.000065195  -0.000169785
 H     -2.273139      1.113759     -2.003995    0.00  -0.000038292  -0.000002087   0.000019626
 H     -2.246555      2.372340      0.163461    0.00  -0.000004225  -0.000004180   0.000017240
 H     -1.107709      3.074583     -0.989398    0.00  -0.000031263   0.000000871   0.000000395
 H      0.814333      1.943784      0.104395    0.00  -0.000010491   0.000004486  -0.000036053
 H     -0.094779      2.864773      1.305041    0.00   0.000013701   0.000004299  -0.000023548
 H     -2.712491     -0.195351      0.095153    0.00   0.000000317  -0.000008455   0.000017521
 H     -1.177978      0.848111      2.193046    0.00   0.000030864   0.000005840  -0.000002933
 H      0.559572      0.535061      2.091704    0.00   0.000025749   0.000007928  -0.000029001
 H     -0.539443      0.802714     -1.883904    0.00  -0.000039893   0.000005731  -0.000011609
 O     -1.095959     -1.573606      1.457511    0.00   0.000254764   0.000103784   0.000033269
 C     -1.849409     -1.556567     -1.353265    0.00  -0.000125570  -0.000014297   0.000067831
 H     -2.054395     -2.451902     -0.747398    0.00   0.000005510  -0.000002062   0.000006159
 H     -2.656732     -1.458365     -2.085844    0.00  -0.000019863  -0.000006950   0.000018645
 H     -0.918557     -1.746477     -1.901149    0.00  -0.000018735   0.000007016  -0.000006556
 H     -0.342242     -2.041583      1.872672    0.00   0.000020288   0.000008916  -0.000003962
 O      0.492120     -1.087683     -0.092314    0.00  -0.000070098   0.000125324  -0.000407985
 O      1.713004     -0.550964      0.419624    0.00   0.000069858  -0.000554275  -0.000103789
 C      2.423613     -0.101790     -0.712298    0.00   0.000069345   0.000198639   0.000204646
 H      1.900596     -0.244908     -1.657435    0.00   0.000009036   0.000072685   0.000032607
 O      3.506847      0.368443     -0.478622    0.00   0.000148474  -0.000110477   0.000577407
26
 Energy =      -0.202657266527
 C     -0.157207      1.985994      0.630967    0.00   0.000022968   0.000049229  -0.000229076
 C     -1.300697      2.175202     -0.372851    0.00  -0.000190309   0.000010453   0.000013280
 C     -1.459045      0.947835     -1.277494    0.00  -0.000317024   0.000010169   0.000033508
 C     -1.748105     -0.321887     -0.458850    0.00  -0.000091926  -0.000014091   0.000070814
 C     -0.647537     -0.509526      0.616544    0.00   0.000072912   0.000037060  -0.000085126
 C     -0.339568      0.718746      1.469986    0.00   0.000205034   0.000065590  -0.000166767
 H     -2.280271      1.113469     -2.000943    0.00  -0.000037380  -0.000002309   0.000018985
 H     -2.247872      2.371715      0.166683    0.00  -0.000004587  -0.000003945   0.000016397
 H     -1.113188      3.074977     -0.989649    0.00  -0.000030648   0.000000779   0.000000060
 H      0.813010      1.944647      0.097848    0.00  -0.000010587   0.000004981  -0.000034901
 H     -0.092399      2.865709      1.301152    0.00   0.000012335   0.000004509  -0.000022801
 H     -2.712756     -0.196823      0.098440    0.00   0.000000344  -0.000008007   0.000017455
 H     -1.172890      0.849140      2.192811    0.00   0.000029818   0.000005577  -0.000002942
 H      0.564395      0.536450      2.086847    0.00   0.000024839   0.000008009  -0.000028371
 H     -0.545988      0.803667     -1.886249    0.00  -0.000038914   0.000005317  -0.000011172
 O     -1.093054     -1.572470      1.457898    0.00   0.000264134   0.000100704   0.000034361
 C     -1.851311     -1.556773     -1.352219    0.00  -0.000129342  -0.000015068   0.000070752
 H     -2.053577     -2.452520     -0.746044    0.00   0.000004510  -0.000002004   0.000006547
 H     -2.660564     -1.459522     -2.082789    0.00  -0.000019938  -0.000006736   0.000018564
 H     -0.921561     -1.745332     -1.902462    0.00  -0.000018911   0.000006358  -0.000006029
 H     -0.338523     -2.040246      1.871718    0.00   0.000021180   0.000006782  -0.000007134
 O      0.491239     -1.086319     -0.097002    0.00  -0.000069753   0.000134235  -0.000408455
 O      1.713795     -0.557134      0.418778    0.00   0.000066571  -0.000544102  -0.000109885
 C      2.424572     -0.098851     -0.709392    0.00   0.000072141   0.000196649   0.000204923
 H      1.900694     -0.232315     -1.655467    0.00   0.000009600   0.000072316   0.000033414
 O      3.508796      0.367242     -0.472084    0.00   0.000152934  -0.000122454   0.000573600
26
 Energy =      -0.202694510945
 C     -0.156891      1.986750      0.627590    0.00   0.000016319   0.000050865  -0.000223306
 C     -1.303573      2.175355     -0.372696    0.00  -0.000189364   0.000010210   0.000011054
 C     -1.463771      0.947984     -1.276990    0.00  -0.000311336   0.000008340   0.000032970
 C     -1.749492     -0.322117     -0.457784    0.00  -0.000091813  -0.000013644   0.000071162
 C     -0.646451     -0.508930      0.615302    0.00   0.000072017   0.000037580  -0.000084819
 C     -0.336542      0.719734      1.467501    0.00   0.000197653   0.000065864  -0.000164038
 H     -2.287285      1.113134     -1.997955    0.00  -0.000036570  -0.000002506   0.000018427
 H     -2.249228      2.371116      0.169778    0.00  -0.000004913  -0.000003761   0.000015680
 H     -1.118611      3.075347     -0.989939    0.00  -0.000030141   0.000000695  -0.000000199
 H      0.811625      1.945601      0.091457    0.00  -0.000010699   0.000005408  -0.000033883
 H     -0.090235      2.866672      1.297340    0.00   0.000011127   0.000004686  -0.000022136
 H     -2.713013     -0.198230      0.101739    0.00   0.000000375  -0.000007607   0.000017404
 H     -1.167928      0.850131      2.192563    0.00   0.000028910   0.000005345  -0.000002949
 H      0.569090      0.537863      2.082049    0.00   0.000024040   0.000008089  -0.000027831
 H     -0.552442      0.804562     -1.888520    0.00  -0.000038048   0.000004958  -0.000010765
 O     -1.090034     -1.571362      1.458292    0.00   0.000271986   0.000097294   0.000033954
 C     -1.853282     -1.556993     -1.351122    0.00  -0.000132854  -0.000015798   0.000073481
 H     -2.052913     -2.453115     -0.744625    0.00   0.000003671  -0.000001946   0.000006903
 H     -2.664431     -1.460659     -2.079709    0.00  -0.000020042  -0.000006575   0.000018559
 H     -0.924638     -1.744285     -1.903690    0.00  -0.000019118   0.000005795  -0.000005580
 H     -0.334606     -2.039228      1.870289    0.00   0.000021768   0.000005408  -0.000009441
 O      0.490358     -1.084848     -0.101728    0.00  -0.000068983   0.000142330  -0.000408362
 O      1.714555     -0.563236      0.417859    0.00   0.000063428  -0.000533535  -0.000115458
 C      2.425576     -0.095926     -0.706458    0.00   0.000075246   0.000194075   0.000205190
 H      1.900862     -0.219683     -1.653393    0.00   0.000010197   0.000071738   0.000034065
 O      3.510816      0.365905     -0.465536    0.00   0.000157144  -0.000133309   0.000569919
26
 Energy =      -0.202731489389
 C     -0.156669      1.987535      0.624270    0.00   0.000010320   0.000052271  -0.000218087
 C     -1.306458      2.175505     -0.372568    0.00  -0.000188695   0.000009958   0.000009329
 C     -1.468450      0.948109     -1.276489    0.00  -0.000306326   0.000006742   0.000032622
 C     -1.750887     -0.322342     -0.456707    0.00  -0.000091692  -0.000013257   0.000071497
 C     -0.645370     -0.508320      0.614056    0.00   0.000071201   0.000038013  -0.000084571
 C     -0.333600      0.720732      1.465037    0.00   0.000191044   0.000066057  -0.000161535
 H     -2.294194      1.112757     -1.995023    0.00  -0.000035849  -0.000002682   0.000017942
 H     -2.250623      2.370535      0.172764    0.00  -0.000005207  -0.000003617   0.000015067
 H     -1.123991      3.075694     -0.990259    0.00  -0.000029719   0.000000619  -0.000000395
 H      0.810182      1.946635      0.085204    0.00  -0.000010823   0.000005775  -0.000032975
 H     -0.088264      2.867660      1.293597    0.00   0.000010057   0.000004834  -0.000021544
 H     -2.713261     -0.199579      0.105052    0.00   0.000000412  -0.000007250   0.000017358
 H     -1.163074      0.851088      2.192304    0.00   0.000028103   0.000005141  -0.000002956
 H      0.573676      0.539300      2.077301    0.00   0.000023326   0.000008167  -0.000027355
 H     -0.558817      0.805406     -1.890725    0.00  -0.000037282   0.000004650  -0.000010387
 O     -1.086913     -1.570284      1.458676    0.00   0.000278546   0.000093765   0.000032486
 C     -1.855319     -1.557226     -1.349979    0.00  -0.000136045  -0.000016461   0.000075971
 H     -2.052378     -2.453690     -0.743145    0.00   0.000002974  -0.000001890   0.000007223
 H     -2.668337     -1.461782     -2.076596    0.00  -0.000020158  -0.000006453   0.000018607
 H     -0.927790     -1.743322     -1.904846    0.00  -0.000019339   0.000005317  -0.000005200
 H     -0.330526     -2.038428      1.868517    0.00   0.000022198   0.000004525  -0.000011097
 O      0.489482     -1.083277     -0.106486    0.00  -0.000067880   0.000149691  -0.000407732
 O      1.715287     -0.569263      0.416872    0.00   0.000060398  -0.000522653  -0.000120524
 C      2.426630     -0.093025     -0.703500    0.00   0.000078566   0.000190944   0.000205400
 H      1.901118     -0.207050     -1.651216    0.00   0.000010817   0.000070968   0.000034573
 O      3.512903      0.364441     -0.458980    0.00   0.000161053  -0.000143177   0.000566281
26
 Energy =      -0.202768206718
 C     -0.156533      1.988346      0.621001    0.00   0.000004872   0.000053480  -0.000213322
 C     -1.309354      2.175653     -0.372460    0.00  -0.000188236   0.000009710   0.000008020
 C     -1.473090      0.948211     -1.275990    0.00  -0.000301882   0.000005360   0.000032428
 C     -1.752291     -0.322562     -0.455617    0.00  -0.000091541  -0.000012919   0.000071796
 C     -0.644291     -0.507698      0.612805    0.00   0.000070439   0.000038391  -0.000084358
 C     -0.330734      0.721739      1.462593    0.00   0.000185024   0.000066185  -0.000159215
 H     -2.301015      1.112343     -1.992137    0.00  -0.000035201  -0.000002837   0.000017521
 H     -2.252054      2.369969      0.175659    0.00  -0.000005471  -0.000003502   0.000014538
 H     -1.129340      3.076023     -0.990602    0.00  -0.000029364   0.000000552  -0.000000537
 H      0.808681      1.947740      0.079070    0.00  -0.000010955   0.000006085  -0.000032159
 H     -0.086466      2.868668      1.289914    0.00   0.000009103   0.000004959  -0.000021012
 H     -2.713502     -0.200877      0.108379    0.00   0.000000453  -0.000006934   0.000017314
 H     -1.158318      0.852015      2.192035    0.00   0.000027372   0.000004959  -0.000002966
 H      0.578163      0.540759      2.072595    0.00   0.000022671   0.000008242  -0.000026924
 H     -0.565125      0.806207     -1.892867    0.00  -0.000036601   0.000004387  -0.000010033
 O     -1.083704     -1.569238      1.459042    0.00   0.000284038   0.000090235   0.000030282
 C     -1.857416     -1.557471     -1.348791    0.00  -0.000138873  -0.000017049   0.000078200
 H     -2.051953     -2.454249     -0.741606    0.00   0.000002396  -0.000001834   0.000007504
 H     -2.672288     -1.462897     -2.073443    0.00  -0.000020272  -0.000006360   0.000018688
 H     -0.931014     -1.742431     -1.905944    0.00  -0.000019562   0.000004913  -0.000004878
 H     -0.326311     -2.037775      1.866497    0.00   0.000022534   0.000003963  -0.000012277
 O      0.488613     -1.081614     -0.111269    0.00  -0.000066516   0.000156389  -0.000406595
 O      1.715990     -0.575210      0.415821    0.00   0.000057461  -0.000511522  -0.000125101
 C      2.427737     -0.090155     -0.700517    0.00   0.000082021   0.000187297   0.000205518
 H      1.901476     -0.194449     -1.648940    0.00   0.000011451   0.000070028   0.000034953
 O      3.515052      0.362860     -0.452417    0.00   0.000164638  -0.000152177   0.000562615
26
 Energy =      -0.202804662126
 C     -0.156477      1.989182      0.617778    0.00  -0.000000108   0.000054514  -0.000208924
 C     -1.312264      2.175798     -0.372369    0.00  -0.000187932   0.000009482   0.000007051
 C     -1.477699      0.948295     -1.275489    0.00  -0.000297902   0.000004170   0.000032360
 C     -1.753701     -0.322778     -0.454516    0.00  -0.000091342  -0.000012620   0.000072045
 C     -0.643216     -0.507066      0.611549    0.00   0.000069714   0.000038724  -0.000084172
 C     -0.327935      0.722754      1.460166    0.00   0.000179457   0.000066274  -0.000157031
 H     -2.307759      1.111896     -1.989290    0.00  -0.000034614  -0.000002974   0.000017157
 H     -2.253523      2.369412      0.178477    0.00  -0.000005711  -0.000003412   0.000014084
 H     -1.134668      3.076336     -0.990960    0.00  -0.000029060   0.000000494  -0.000000634
 H      0.807127      1.948906      0.073041    0.00  -0.000011093   0.000006347  -0.000031414
 H     -0.084822      2.869697      1.286287    0.00   0.000008250   0.000005063  -0.000020531
 H     -2.713735     -0.202129      0.111721    0.00   0.000000498  -0.000006653   0.000017265
 H     -1.153648      0.852917      2.191756    0.00   0.000026697   0.000004797  -0.000002981
 H      0.582562      0.542242      2.067927    0.00   0.000022061   0.000008313  -0.000026524
 H     -0.571378      0.806973     -1.894952    0.00  -0.000035995   0.000004164  -0.000009703
 O     -1.080416     -1.568225      1.459381    0.00   0.000288632   0.000086769   0.000027581
 C     -1.859569     -1.557727     -1.347563    0.00  -0.000141315  -0.000017558   0.000080155
 H     -2.051619     -2.454795     -0.740014    0.00   0.000001922  -0.000001779   0.000007745
 H     -2.676283     -1.464009     -2.070249    0.00  -0.000020374  -0.000006290   0.000018788
 H     -0.934307     -1.741601     -1.906993    0.00  -0.000019775   0.000004573  -0.000004604
 H     -0.321981     -2.037218      1.864297    0.00   0.000022813   0.000003617  -0.000013108
 O      0.487756     -1.079864     -0.116070    0.00  -0.000064946   0.000162481  -0.000404983
 O      1.716665     -0.581072      0.414708    0.00   0.000054603  -0.000500202  -0.000129210
 C      2.428901     -0.087326     -0.697510    0.00   0.000085551   0.000183187   0.000205515
 H      1.901946     -0.181907     -1.646569    0.00   0.000012089   0.000068940   0.000035216
 O      3.517260      0.361168     -0.445847    0.00   0.000167882  -0.000160419   0.000558856
26
 Energy =      -0.202840850897
 C     -0.156495      1.990038      0.614596    0.00  -0.000004695   0.000055404  -0.000204828
 C     -1.315191      2.175942     -0.372288    0.00  -0.000187739   0.000009276   0.000006379
 C     -1.482282      0.948362     -1.274985    0.00  -0.000294301   0.000003156   0.000032391
 C     -1.755119     -0.322991     -0.453404    0.00  -0.000091086  -0.000012356   0.000072231
 C     -0.642143     -0.506422      0.610287    0.00   0.000069018   0.000039020  -0.000083995
 C     -0.325200      0.723778      1.457755    0.00   0.000174236   0.000066330  -0.000154947
 H     -2.314439      1.111419     -1.986472    0.00  -0.000034079  -0.000003093   0.000016840
 H     -2.255027      2.368863      0.181231    0.00  -0.000005926  -0.000003338   0.000013685
 H     -1.139985      3.076635     -0.991328    0.00  -0.000028798   0.000000442  -0.000000695
 H      0.805519      1.950127      0.067104    0.00  -0.000011235   0.000006564  -0.000030731
 H     -0.083317      2.870744      1.282707    0.00   0.000007481   0.000005150  -0.000020091
 H     -2.713960     -0.203342      0.115078    0.00   0.000000547  -0.000006407   0.000017212
 H     -1.149059      0.853796      2.191468    0.00   0.000026062   0.000004651  -0.000002998
 H      0.586880      0.543747      2.063291    0.00   0.000021487   0.000008380  -0.000026147
 H     -0.577584      0.807708     -1.896984    0.00  -0.000035450   0.000003978  -0.000009392
 O     -1.077057     -1.567244      1.459689    0.00   0.000292465   0.000083402   0.000024552
 C     -1.861772     -1.557993     -1.346298    0.00  -0.000143358  -0.000017988   0.000081840
 H     -2.051359     -2.455329     -0.738372    0.00   0.000001536  -0.000001726   0.000007947
 H     -2.680325     -1.465118     -2.067012    0.00  -0.000020455  -0.000006235   0.000018894
 H     -0.937666     -1.740821     -1.908002    0.00  -0.000019970   0.000004288  -0.000004372
 H     -0.317551     -2.036721      1.861964    0.00   0.000023052   0.000003419  -0.000013681
 O      0.486912     -1.078032     -0.120886    0.00  -0.000063215   0.000168017  -0.000402918
 O      1.717313     -0.586849      0.413538    0.00   0.000051820  -0.000488733  -0.000132877
 C      2.430123     -0.084543     -0.694482    0.00   0.000089087   0.000178666   0.000205371
 H      1.902537     -0.169449     -1.644107    0.00   0.000012723   0.000067727   0.000035376
 O      3.519523      0.359371     -0.439273    0.00   0.000170793  -0.000167998   0.000554954
26
 Energy =      -0.202876765556
 C     -0.156583      1.990915      0.611450    0.00  -0.000008943   0.000056164  -0.000200969
 C     -1.318139      2.176083     -0.372214    0.00  -0.000187623   0.000009098   0.000005950
 C     -1.486847      0.948414     -1.274476    0.00  -0.000291001   0.000002296   0.000032507
 C     -1.756543     -0.323200     -0.452282    0.00  -0.000090762  -0.000012118   0.000072346
 C     -0.641072     -0.505769      0.609019    0.00   0.000068337   0.000039286  -0.000083816
 C     -0.322524      0.724810      1.455356    0.00   0.000169284   0.000066367  -0.000152933
 H     -2.321066      1.110915     -1.983679    0.00  -0.000033584  -0.000003197   0.000016563
 H     -2.256567      2.368318      0.183931    0.00  -0.000006122  -0.000003279   0.000013337
 H     -1.145298      3.076923     -0.991702    0.00  -0.000028568   0.000000399  -0.000000725
 H      0.803858      1.951395      0.061247    0.00  -0.000011379   0.000006747  -0.000030094
 H     -0.081938      2.871808      1.279169    0.00   0.000006784   0.000005223  -0.000019686
 H     -2.714176     -0.204521      0.118451    0.00   0.000000600  -0.000006189   0.000017150
 H     -1.144544      0.854654      2.191169    0.00   0.000025458   0.000004521  -0.000003020
 H      0.591122      0.545275      2.058684    0.00   0.000020937   0.000008445  -0.000025783
 H     -0.583754      0.808419     -1.898969    0.00  -0.000034956   0.000003823  -0.000009099
 O     -1.073632     -1.566294      1.459963    0.00   0.000295641   0.000080153   0.000021316
 C     -1.864021     -1.558267     -1.344999    0.00  -0.000145000  -0.000018340   0.000083259
 H     -2.051161     -2.455855     -0.736686    0.00   0.000001227  -0.000001674   0.000008110
 H     -2.684410     -1.466229     -2.063729    0.00  -0.000020511  -0.000006193   0.000018998
 H     -0.941087     -1.740083     -1.908979    0.00  -0.000020142   0.000004050  -0.000004172
 H     -0.313032     -2.036257      1.859533    0.00   0.000023257   0.000003327  -0.000014066
 O      0.486084     -1.076122     -0.125711    0.00  -0.000061355   0.000173049  -0.000400430
 O      1.717933     -0.592536      0.412313    0.00   0.000049111  -0.000477161  -0.000136119
 C      2.431406     -0.081813     -0.691433    0.00   0.000092591   0.000173794   0.000205066
 H      1.903257     -0.157093     -1.641558    0.00   0.000013349   0.000066408   0.000035445
 O      3.521837      0.357475     -0.432695    0.00   0.000173368  -0.000174994   0.000550863
26
 Energy =      -0.202912396663
 C     -0.156735      1.991810      0.608339    0.00  -0.000012902   0.000056815  -0.000197296
 C     -1.321107      2.176223     -0.372144    0.00  -0.000187556   0.000008947   0.000005726
 C     -1.491399      0.948455     -1.273962    0.00  -0.000287933   0.000001574   0.000032687
 C     -1.757972     -0.323408     -0.451150    0.00  -0.000090363  -0.000011906   0.000072389
 C     -0.640002     -0.505106      0.607743    0.00   0.000067658   0.000039531  -0.000083619
 C     -0.319902      0.725851      1.452970    0.00   0.000164540   0.000066381  -0.000150969
 H     -2.327649      1.110386     -1.980904    0.00  -0.000033122  -0.000003289   0.000016319
 H     -2.258141      2.367777      0.186587    0.00  -0.000006300  -0.000003230   0.000013028
 H     -1.150613      3.077202     -0.992076    0.00  -0.000028362   0.000000361  -0.000000728
 H      0.802146      1.952705      0.055463    0.00  -0.000011523   0.000006894  -0.000029497
 H     -0.080674      2.872888      1.275670    0.00   0.000006149   0.000005284  -0.000019306
 H     -2.714383     -0.205671      0.121839    0.00   0.000000654  -0.000005999   0.000017077
 H     -1.140098      0.855496      2.190859    0.00   0.000024878   0.000004402  -0.000003043
 H      0.595294      0.546826      2.054103    0.00   0.000020406   0.000008506  -0.000025428
 H     -0.589895      0.809111     -1.900910    0.00  -0.000034503   0.000003695  -0.000008819
 O     -1.070146     -1.565374      1.460200    0.00   0.000298242   0.000077032   0.000017959
 C     -1.866310     -1.558549     -1.343669    0.00  -0.000146243  -0.000018623   0.000084425
 H     -2.051012     -2.456373     -0.734959    0.00   0.000000983  -0.000001624   0.000008238
 H     -2.688538     -1.467343     -2.060403    0.00  -0.000020536  -0.000006159   0.000019094
 H     -0.944565     -1.739380     -1.909931    0.00  -0.000020285   0.000003853  -0.000004000
 H     -0.308435     -2.035808      1.857031    0.00   0.000023431   0.000003310  -0.000014310
 O      0.485272     -1.074138     -0.130543    0.00  -0.000059389   0.000177610  -0.000397539
 O      1.718526     -0.598135      0.411037    0.00   0.000046474  -0.000465518  -0.000138958
 C      2.432749     -0.079141     -0.688365    0.00   0.000096023   0.000168630   0.000204592
 H      1.904111     -0.144858     -1.638928    0.00   0.000013959   0.000065002   0.000035432
 O      3.524200      0.355482     -0.426113    0.00   0.000175619  -0.000181479   0.000546548
26
 Energy =      -0.202947733331
 C     -0.156951      1.992723      0.605257    0.00  -0.000016610   0.000057372  -0.000193769
 C     -1.324100      2.176362     -0.372076    0.00  -0.000187511   0.000008821   0.000005678
 C     -1.495940      0.948486     -1.273440    0.00  -0.000285043   0.000000972   0.000032918
 C     -1.759407     -0.323613     -0.450008    0.00  -0.000089874  -0.000011715   0.000072360
 C     -0.638934     -0.504433      0.606460    0.00   0.000066973   0.000039759  -0.000083403
 C     -0.317333      0.726900      1.450595    0.00   0.000159961   0.000066379  -0.000149032
 H     -2.334196      1.109836     -1.978142    0.00  -0.000032687  -0.000003367   0.000016102
 H     -2.259750      2.367236      0.189206    0.00  -0.000006462  -0.000003190   0.000012754
 H     -1.155937      3.077473     -0.992447    0.00  -0.000028174   0.000000328  -0.000000709
 H      0.800383      1.954052      0.049742    0.00  -0.000011665   0.000007015  -0.000028931
 H     -0.079515      2.873983      1.272205    0.00   0.000005565   0.000005335  -0.000018949
 H     -2.714582     -0.206798      0.125241    0.00   0.000000712  -0.000005832   0.000016993
 H     -1.135719      0.856322      2.190538    0.00   0.000024314   0.000004294  -0.000003068
 H      0.599398      0.548400      2.049548    0.00   0.000019889   0.000008564  -0.000025077
 H     -0.596014      0.809788     -1.902810    0.00  -0.000034082   0.000003591  -0.000008552
 O     -1.066604     -1.564482      1.460400    0.00   0.000300320   0.000074042   0.000014541
 C     -1.868635     -1.558837     -1.342311    0.00  -0.000147097  -0.000018844   0.000085347
 H     -2.050901     -2.456886     -0.733198    0.00   0.000000796  -0.000001574   0.000008332
 H     -2.692704     -1.468462     -2.057034    0.00  -0.000020531  -0.000006129   0.000019176
 H     -0.948095     -1.738705     -1.910861    0.00  -0.000020397   0.000003689  -0.000003850
 H     -0.303766     -2.035358      1.854476    0.00   0.000023577   0.000003345  -0.000014444
 O      0.484479     -1.072084     -0.135378    0.00  -0.000057340   0.000181733  -0.000394272
 O      1.719094     -0.603644      0.409712    0.00   0.000043911  -0.000453829  -0.000141412
 C      2.434154     -0.076531     -0.685279    0.00   0.000099355   0.000163222   0.000203939
 H      1.905102     -0.132757     -1.636221    0.00   0.000014550   0.000063526   0.000035349
 O      3.526608      0.353398     -0.419529    0.00   0.000177550  -0.000187508   0.000541978
26
 Energy =      -0.202982763628
 C     -0.157226      1.993652      0.602204    0.00  -0.000020099   0.000057845  -0.000190351
 C     -1.327118      2.176501     -0.372005    0.00  -0.000187471   0.000008717   0.000005779
 C     -1.500477      0.948509     -1.272910    0.00  -0.000282279   0.000000477   0.000033189
 C     -1.760845     -0.323816     -0.448859    0.00  -0.000089309  -0.000011541   0.000072252
 C     -0.637866     -0.503750      0.605170    0.00   0.000066283   0.000039966  -0.000083152
 C     -0.314814      0.727958      1.448230    0.00   0.000155514   0.000066364  -0.000147104
 H     -2.340713      1.109265     -1.975389    0.00  -0.000032269  -0.000003436   0.000015909
 H     -2.261394      2.366696      0.191795    0.00  -0.000006610  -0.000003157   0.000012507
 H     -1.161274      3.077738     -0.992812    0.00  -0.000028000   0.000000301  -0.000000670
 H      0.798569      1.955432      0.044078    0.00  -0.000011805   0.000007110  -0.000028389
 H     -0.078455      2.875094      1.268770    0.00   0.000005026   0.000005377  -0.000018610
 H     -2.714772     -0.207904      0.128657    0.00   0.000000771  -0.000005686   0.000016896
 H     -1.131402      0.857134      2.190206    0.00   0.000023763   0.000004194  -0.000003094
 H      0.603438      0.549998      2.045015    0.00   0.000019384   0.000008618  -0.000024729
 H     -0.602116      0.810455     -1.904673    0.00  -0.000033688   0.000003508  -0.000008295
 O     -1.063009     -1.563619      1.460560    0.00   0.000301922   0.000071181   0.000011109
 C     -1.870991     -1.559130     -1.340929    0.00  -0.000147572  -0.000019003   0.000086039
 H     -2.050820     -2.457393     -0.731405    0.00   0.000000658  -0.000001527   0.000008394
 H     -2.696906     -1.469585     -2.053624    0.00  -0.000020492  -0.000006105   0.000019241
 H     -0.951674     -1.738053     -1.911775    0.00  -0.000020477   0.000003556  -0.000003718
 H     -0.299030     -2.034897      1.851882    0.00   0.000023695   0.000003422  -0.000014496
 O      0.483705     -1.069964     -0.140213    0.00  -0.000055226   0.000185451  -0.000390644
 O      1.719635     -0.609062      0.408343    0.00   0.000041425  -0.000442120  -0.000143501
 C      2.435621     -0.073986     -0.682176    0.00   0.000102559   0.000157620   0.000203098
 H      1.906232     -0.120802     -1.633441    0.00   0.000015120   0.000061994   0.000035205
 O      3.529059      0.351224     -0.412943    0.00   0.000179175  -0.000193126   0.000537134
26
 Energy =      -0.203017474897
 C     -0.157558      1.994597      0.599176    0.00  -0.000023391   0.000058242  -0.000187016
 C     -1.330162      2.176639     -0.371931    0.00  -0.000187416   0.000008634   0.000006007
 C     -1.505011      0.948524     -1.272371    0.00  -0.000279600   0.000000074   0.000033490
 C     -1.762287     -0.324018     -0.447701    0.00  -0.000088657  -0.000011384   0.000072067
 C     -0.636800     -0.503058      0.603873    0.00   0.000065581   0.000040158  -0.000082863
 C     -0.312343      0.729025      1.445874    0.00   0.000151172   0.000066332  -0.000145175
 H     -2.347208      1.108676     -1.972640    0.00  -0.000031865  -0.000003495   0.000015733
 H     -2.263072      2.366154      0.194360    0.00  -0.000006745  -0.000003131   0.000012283
 H     -1.166628      3.077998     -0.993169    0.00  -0.000027835   0.000000278  -0.000000614
 H      0.796705      1.956843      0.038466    0.00  -0.000011941   0.000007184  -0.000027866
 H     -0.077485      2.876219      1.265363    0.00   0.000004525   0.000005412  -0.000018284
 H     -2.714953     -0.208995      0.132085    0.00   0.000000832  -0.000005559   0.000016785
 H     -1.127146      0.857935      2.189863    0.00   0.000023222   0.000004103  -0.000003121
 H      0.607416      0.551620      2.040505    0.00   0.000018886   0.000008670  -0.000024380
 H     -0.608207      0.811115     -1.906500    0.00  -0.000033313   0.000003443  -0.000008047
 O     -1.059365     -1.562781      1.460681    0.00   0.000303078   0.000068446   0.000007692
 C     -1.873374     -1.559429     -1.339525    0.00  -0.000147682  -0.000019111   0.000086514
 H     -2.050760     -2.457897     -0.729585    0.00   0.000000564  -0.000001479   0.000008426
 H     -2.701140     -1.470715     -2.050173    0.00  -0.000020419  -0.000006083   0.000019289
 H     -0.955296     -1.737417     -1.912676    0.00  -0.000020524   0.000003447  -0.000003600
 H     -0.294232     -2.034415      1.849262    0.00   0.000023787   0.000003529  -0.000014480
 O      0.482950     -1.067779     -0.145046    0.00  -0.000053059   0.000188785  -0.000386675
 O      1.720152     -0.614391      0.406931    0.00   0.000039017  -0.000430413  -0.000145242
 C      2.437148     -0.071509     -0.679060    0.00   0.000105616   0.000151869   0.000202076
 H      1.907502     -0.109002     -1.630593    0.00   0.000015665   0.000060418   0.000035005
 O      3.531550      0.348963     -0.406357    0.00   0.000180502  -0.000198371   0.000531996
26
 Energy =      -0.203051853961
 C     -0.157946      1.995557      0.596173    0.00  -0.000026507   0.000058573  -0.000183740
 C     -1.333235      2.176777     -0.371852    0.00  -0.000187331   0.000008568   0.000006341
 C     -1.509546      0.948534     -1.271821    0.00  -0.000276970  -0.000000247   0.000033810
 C     -1.763732     -0.324220     -0.446536    0.00  -0.000087915  -0.000011242   0.000071809
 C     -0.635734     -0.502356      0.602568    0.00   0.000064861   0.000040335  -0.000082532
 C     -0.309918      0.730101      1.443528    0.00   0.000146916   0.000066286  -0.000143232
 H     -2.353684      1.108070     -1.969892    0.00  -0.000031473  -0.000003545   0.000015573
 H     -2.264785      2.365610      0.196906    0.00  -0.000006867  -0.000003109   0.000012078
 H     -1.172003      3.078255     -0.993514    0.00  -0.000027677   0.000000258  -0.000000544
 H      0.794791      1.958280      0.032901    0.00  -0.000012073   0.000007239  -0.000027359
 H     -0.076600      2.877359      1.261982    0.00   0.000004057   0.000005441  -0.000017968
 H     -2.715125     -0.210073      0.135526    0.00   0.000000894  -0.000005449   0.000016661
 H     -1.122948      0.858726      2.189507    0.00   0.000022689   0.000004019  -0.000003147
 H      0.611333      0.553266      2.036015    0.00   0.000018396   0.000008717  -0.000024028
 H     -0.614291      0.811772     -1.908294    0.00  -0.000032952   0.000003394  -0.000007806
 O     -1.055673     -1.561969      1.460762    0.00   0.000303816   0.000065838   0.000004316
 C     -1.875778     -1.559732     -1.338101    0.00  -0.000147444  -0.000019173   0.000086785
 H     -2.050713     -2.458398     -0.727743    0.00   0.000000508  -0.000001433   0.000008431
 H     -2.705401     -1.471853     -2.046685    0.00  -0.000020312  -0.000006062   0.000019314
 H     -0.958956     -1.736795     -1.913566    0.00  -0.000020536   0.000003360  -0.000003495
 H     -0.289376     -2.033906      1.846624    0.00   0.000023851   0.000003659  -0.000014411
 O      0.482216     -1.065533     -0.149874    0.00  -0.000050853   0.000191752  -0.000382384
 O      1.720645     -0.619629      0.405480    0.00   0.000036689  -0.000418723  -0.000146650
 C      2.438737     -0.069104     -0.675930    0.00   0.000108511   0.000146007   0.000200867
 H      1.908912     -0.097364     -1.627682    0.00   0.000016183   0.000058810   0.000034759
 O      3.534079      0.346616     -0.399772    0.00   0.000181540  -0.000203272   0.000526553
26
 Energy =      -0.203085887322
 C     -0.158388      1.996532      0.593193    0.00  -0.000029462   0.000058842  -0.000180505
 C     -1.336337      2.176916     -0.371765    0.00  -0.000187202   0.000008516   0.000006769
 C     -1.514083      0.948540     -1.271261    0.00  -0.000274361  -0.000000499   0.000034143
 C     -1.765178     -0.324421     -0.445364    0.00  -0.000087088  -0.000011111   0.000071472
 C     -0.634668     -0.501643      0.601256    0.00   0.000064122   0.000040496  -0.000082154
 C     -0.307538      0.731187      1.441190    0.00   0.000142731   0.000066222  -0.000141268
 H     -2.360148      1.107448     -1.967143    0.00  -0.000031086  -0.000003588   0.000015424
 H     -2.266532      2.365063      0.199438    0.00  -0.000006978  -0.000003092   0.000011888
 H     -1.177403      3.078510     -0.993846    0.00  -0.000027522   0.000000242  -0.000000461
 H      0.792826      1.959742      0.027378    0.00  -0.000012199   0.000007276  -0.000026862
 H     -0.075796      2.878514      1.258623    0.00   0.000003619   0.000005463  -0.000017661
 H     -2.715287     -0.211142      0.138977    0.00   0.000000956  -0.000005353   0.000016522
 H     -1.118808      0.859507      2.189140    0.00   0.000022161   0.000003939  -0.000003172
 H      0.615192      0.554937      2.031546    0.00   0.000017910   0.000008762  -0.000023674
 H     -0.620372      0.812428     -1.910057    0.00  -0.000032601   0.000003358  -0.000007572
 O     -1.051937     -1.561180      1.460804    0.00   0.000304155   0.000063348   0.000000998
 C     -1.878200     -1.560039     -1.336659    0.00  -0.000146870  -0.000019193   0.000086863
 H     -2.050674     -2.458897     -0.725881    0.00   0.000000485  -0.000001388   0.000008410
 H     -2.709686     -1.472998     -2.043161    0.00  -0.000020172  -0.000006043   0.000019318
 H     -0.962650     -1.736181     -1.914449    0.00  -0.000020515   0.000003292  -0.000003399
 H     -0.284467     -2.033364      1.843976    0.00   0.000023889   0.000003807  -0.000014297
 O      0.481503     -1.063227     -0.154695    0.00  -0.000048616   0.000194373  -0.000377788
 O      1.721113     -0.624779      0.403992    0.00   0.000034443  -0.000407069  -0.000147741
 C      2.440385     -0.066771     -0.672788    0.00   0.000111230   0.000140071   0.000199476
 H      1.910463     -0.085894     -1.624712    0.00   0.000016672   0.000057179   0.000034472
 O      3.536644      0.344185     -0.393190    0.00   0.000182299  -0.000207850   0.000520797
26
 Energy =        -0.2031195613
 C     -0.158883      1.997522      0.590234    0.00  -0.000032267   0.000059051  -0.000177295
 C     -1.339470      2.177055     -0.371669    0.00  -0.000187018   0.000008475   0.000007272
 C     -1.518626      0.948542     -1.270690    0.00  -0.000271746  -0.000000692   0.000034480
 C     -1.766625     -0.324621     -0.444186    0.00  -0.000086177  -0.000010989   0.000071061
 C     -0.633603     -0.500921      0.599936    0.00   0.000063364   0.000040637  -0.000081727
 C     -0.305201      0.732283      1.438860    0.00   0.000138609   0.000066143  -0.000139275
 H     -2.366601      1.106811     -1.964390    0.00  -0.000030700  -0.000003625   0.000015284
 H     -2.268313      2.364511      0.201959    0.00  -0.000007079  -0.000003079   0.000011713
 H     -1.182831      3.078764     -0.994162    0.00  -0.000027366   0.000000228  -0.000000367
 H      0.790811      1.961226      0.021895    0.00  -0.000012319   0.000007301  -0.000026372
 H     -0.075068      2.879682      1.255286    0.00   0.000003205   0.000005479  -0.000017360
 H     -2.715440     -0.212205      0.142438    0.00   0.000001019  -0.000005270   0.000016370
 H     -1.114724      0.860281      2.188761    0.00   0.000021637   0.000003866  -0.000003196
 H      0.618994      0.556633      2.027097    0.00   0.000017430   0.000008802  -0.000023316
 H     -0.626453      0.813086     -1.911791    0.00  -0.000032256   0.000003335  -0.000007341
 O     -1.048159     -1.560414      1.460805    0.00   0.000304112   0.000060976  -0.000002244
 C     -1.880635     -1.560349     -1.335203    0.00  -0.000145979  -0.000019176   0.000086759
 H     -2.050635     -2.459394     -0.724003    0.00   0.000000492  -0.000001344   0.000008366
 H     -2.713990     -1.474152     -2.039604    0.00  -0.000019999  -0.000006024   0.000019300
 H     -0.966373     -1.735573     -1.915325    0.00  -0.000020461   0.000003238  -0.000003311
 H     -0.279505     -2.032785      1.841325    0.00   0.000023902   0.000003969  -0.000014147
 O      0.480812     -1.060864     -0.159508    0.00  -0.000046360   0.000196662  -0.000372904
 O      1.721559     -0.629839      0.402469    0.00   0.000032278  -0.000395468  -0.000148528
 C      2.442093     -0.064512     -0.669636    0.00   0.000113762   0.000134092   0.000197905
 H      1.912153     -0.074597     -1.621687    0.00   0.000017132   0.000055533   0.000034150
 O      3.539243      0.341671     -0.386611    0.00   0.000182787  -0.000212122   0.000514724
26
 Energy =      -0.203152862172
 C     -0.159430      1.998526      0.587296    0.00  -0.000034932   0.000059208  -0.000174100
 C     -1.342634      2.177196     -0.371563    0.00  -0.000186767   0.000008441   0.000007841
 C     -1.523175      0.948541     -1.270107    0.00  -0.000269103  -0.000000829   0.000034816
 C     -1.768072     -0.324822     -0.443003    0.00  -0.000085179  -0.000010879   0.000070581
 C     -0.632538     -0.500188      0.598610    0.00   0.000062579   0.000040764  -0.000081247
 C     -0.302908      0.733390      1.436537    0.00   0.000134540   0.000066042  -0.000137249
 H     -2.373048      1.106160     -1.961630    0.00  -0.000030317  -0.000003654   0.000015150
 H     -2.270129      2.363954      0.204472    0.00  -0.000007168  -0.000003068   0.000011545
 H     -1.188289      3.079018     -0.994461    0.00  -0.000027209   0.000000216  -0.000000263
 H      0.788746      1.962731      0.016447    0.00  -0.000012432   0.000007310  -0.000025890
 H     -0.074413      2.880866      1.251968    0.00   0.000002815   0.000005491  -0.000017063
 H     -2.715583     -0.213265      0.145907    0.00   0.000001083  -0.000005199   0.000016203
 H     -1.110694      0.861049      2.188369    0.00   0.000021117   0.000003796  -0.000003217
 H      0.622740      0.558355      2.022667    0.00   0.000016952   0.000008838  -0.000022952
 H     -0.632537      0.813748     -1.913497    0.00  -0.000031914   0.000003320  -0.000007117
 O     -1.044342     -1.559669      1.460766    0.00   0.000303705   0.000058716  -0.000005404
 C     -1.883080     -1.560661     -1.333733    0.00  -0.000144788  -0.000019126   0.000086484
 H     -2.050591     -2.459891     -0.722113    0.00   0.000000524  -0.000001300   0.000008299
 H     -2.718309     -1.475315     -2.036015    0.00  -0.000019795  -0.000006004   0.000019259
 H     -0.970120     -1.734968     -1.916198    0.00  -0.000020374   0.000003199  -0.000003229
 H     -0.274496     -2.032164      1.838675    0.00   0.000023887   0.000004142  -0.000013964
 O      0.480143     -1.058445     -0.164310    0.00  -0.000044090   0.000198631  -0.000367749
 O      1.721983     -0.634812      0.400914    0.00   0.000030196  -0.000383932  -0.000149027
 C      2.443859     -0.062329     -0.666476    0.00   0.000116099   0.000128098   0.000196161
 H      1.913980     -0.063475     -1.618611    0.00   0.000017560   0.000053879   0.000033796
 O      3.541875      0.339075     -0.380038    0.00   0.000183012  -0.000216102   0.000508335
26
 Energy =      -0.203185776238
 C     -0.160027      1.999544      0.584377    0.00  -0.000037462   0.000059313  -0.000170908
 C     -1.345830      2.177337     -0.371445    0.00  -0.000186441   0.000008414   0.000008461
 C     -1.527732      0.948539     -1.269511    0.00  -0.000266415  -0.000000922   0.000035148
 C     -1.769519     -0.325023     -0.441815    0.00  -0.000084111  -0.000010776   0.000070021
 C     -0.631474     -0.499445      0.597276    0.00   0.000061784   0.000040870  -0.000080708
 C     -0.300657      0.734507      1.434223    0.00   0.000130519   0.000065920  -0.000135188
 H     -2.379492      1.105496     -1.958862    0.00  -0.000029928  -0.000003679   0.000015021
 H     -2.271979      2.363391      0.206981    0.00  -0.000007248  -0.000003060   0.000011387
 H     -1.193780      3.079272     -0.994741    0.00  -0.000027049   0.000000206  -0.000000153
 H      0.786631      1.964256      0.011033    0.00  -0.000012539   0.000007309  -0.000025410
 H     -0.073827      2.882063      1.248669    0.00   0.000002444   0.000005498  -0.000016768
 H     -2.715716     -0.214324      0.149384    0.00   0.000001145  -0.000005136   0.000016023
 H     -1.106718      0.861811      2.187966    0.00   0.000020600   0.000003731  -0.000003237
 H      0.626432      0.560103      2.018257    0.00   0.000016478   0.000008870  -0.000022584
 H     -0.638627      0.814417     -1.915177    0.00  -0.000031575   0.000003315  -0.000006895
 O     -1.040486     -1.558944      1.460689    0.00   0.000302939   0.000056565  -0.000008467
 C     -1.885532     -1.560977     -1.332251    0.00  -0.000143311  -0.000019045   0.000086049
 H     -2.050538     -2.460388     -0.720214    0.00   0.000000581  -0.000001257   0.000008212
 H     -2.722639     -1.476487     -2.032397    0.00  -0.000019558  -0.000005985   0.000019196
 H     -0.973888     -1.734363     -1.917067    0.00  -0.000020258   0.000003169  -0.000003152
 H     -0.269440     -2.031498      1.836030    0.00   0.000023850   0.000004322  -0.000013754
 O      0.479495     -1.055973     -0.169100    0.00  -0.000041816   0.000200296  -0.000362337
 O      1.722385     -0.639698      0.399329    0.00   0.000028198  -0.000372477  -0.000149250
 C      2.445681     -0.060222     -0.663309    0.00   0.000118235   0.000122114   0.000194249
 H      1.915943     -0.052531     -1.615488    0.00   0.000017957   0.000052223   0.000033416
 O      3.544538      0.336398     -0.373472    0.00   0.000182981  -0.000219796   0.000501630
26
 Energy =      -0.203218289942
 C     -0.160674      2.000577      0.581478    0.00  -0.000039865   0.000059367  -0.000167713
 C     -1.349059      2.177480     -0.371315    0.00  -0.000186027   0.000008391   0.000009125
 C     -1.532299      0.948536     -1.268903    0.00  -0.000263670  -0.000000978   0.000035466
 C     -1.770965     -0.325224     -0.440622    0.00  -0.000082959  -0.000010680   0.000069396
 C     -0.630410     -0.498691      0.595935    0.00   0.000060958   0.000040956  -0.000080118
 C     -0.298447      0.735636      1.431915    0.00   0.000126544   0.000065778  -0.000133088
 H     -2.385934      1.104819     -1.956084    0.00  -0.000029537  -0.000003699   0.000014895
 H     -2.273865      2.362822      0.209489    0.00  -0.000007317  -0.000003055   0.000011236
 H     -1.199306      3.079526     -0.995000    0.00  -0.000026883   0.000000197  -0.000000035
 H      0.784466      1.965798      0.005651    0.00  -0.000012636   0.000007297  -0.000024932
 H     -0.073308      2.883275      1.245387    0.00   0.000002093   0.000005499  -0.000016477
 H     -2.715840     -0.215385      0.152867    0.00   0.000001208  -0.000005084   0.000015828
 H     -1.102794      0.862568      2.187551    0.00   0.000020086   0.000003668  -0.000003255
 H      0.630069      0.561878      2.013865    0.00   0.000016007   0.000008897  -0.000022211
 H     -0.644723      0.815095     -1.916831    0.00  -0.000031232   0.000003316  -0.000006677
 O     -1.036595     -1.558238      1.460571    0.00   0.000301837   0.000054518  -0.000011428
 C     -1.887985     -1.561294     -1.330761    0.00  -0.000141568  -0.000018940   0.000085461
 H     -2.050470     -2.460884     -0.718308    0.00   0.000000656  -0.000001213   0.000008106
 H     -2.726976     -1.477670     -2.028753    0.00  -0.000019293  -0.000005965   0.000019110
 H     -0.977671     -1.733756     -1.917936    0.00  -0.000020110   0.000003149  -0.000003079
 H     -0.264340     -2.030784      1.833397    0.00   0.000023785   0.000004508  -0.000013521
 O      0.478871     -1.053449     -0.173876    0.00  -0.000039545   0.000201658  -0.000356684
 O      1.722766     -0.644497      0.397717    0.00   0.000026282  -0.000361113  -0.000149211
 C      2.447560     -0.058191     -0.660136    0.00   0.000120166   0.000116164   0.000192176
 H      1.918038     -0.041767     -1.612321    0.00   0.000018321   0.000050571   0.000033012
 O      3.547230      0.333639     -0.366913    0.00   0.000182701  -0.000223211   0.000494616
26
 Energy =      -0.203250389894
 C     -0.161370      2.001623      0.578596    0.00  -0.000042141   0.000059374  -0.000164510
 C     -1.352322      2.177624     -0.371170    0.00  -0.000185525   0.000008371   0.000009822
 C     -1.536876      0.948532     -1.268282    0.00  -0.000260852  -0.000001001   0.000035771
 C     -1.772408     -0.325427     -0.439426    0.00  -0.000081734  -0.000010590   0.000068704
 C     -0.629346     -0.497927      0.594588    0.00   0.000060109   0.000041023  -0.000079471
 C     -0.296278      0.736776      1.429616    0.00   0.000122612   0.000065610  -0.000130947
 H     -2.392377      1.104131     -1.953295    0.00  -0.000029140  -0.000003714   0.000014770
 H     -2.275784      2.362245      0.211998    0.00  -0.000007376  -0.000003052   0.000011088
 H     -1.204869      3.079783     -0.995237    0.00  -0.000026710   0.000000189   0.000000088
 H      0.782250      1.967358      0.000298    0.00  -0.000012726   0.000007276  -0.000024455
 H     -0.072854      2.884502      1.242122    0.00   0.000001759   0.000005497  -0.000016185
 H     -2.715952     -0.216450      0.156355    0.00   0.000001271  -0.000005038   0.000015621
 H     -1.098923      0.863321      2.187124    0.00   0.000019574   0.000003609  -0.000003269
 H      0.633653      0.563681      2.009492    0.00   0.000015538   0.000008920  -0.000021833
 H     -0.650829      0.815783     -1.918460    0.00  -0.000030888   0.000003322  -0.000006461
 O     -1.032669     -1.557550      1.460415    0.00   0.000300404   0.000052574  -0.000014280
 C     -1.890437     -1.561613     -1.329262    0.00  -0.000139574  -0.000018811   0.000084732
 H     -2.050383     -2.461382     -0.716398    0.00   0.000000749  -0.000001170   0.000007982
 H     -2.731315     -1.478864     -2.025084    0.00  -0.000019000  -0.000005943   0.000019002
 H     -0.981467     -1.733144     -1.918803    0.00  -0.000019933   0.000003137  -0.000003009
 H     -0.259198     -2.030019      1.830777    0.00   0.000023696   0.000004697  -0.000013267
 O      0.478269     -1.050875     -0.178637    0.00  -0.000037282   0.000202732  -0.000350807
 O      1.723126     -0.649212      0.396079    0.00   0.000024448  -0.000349855  -0.000148921
 C      2.449492     -0.056238     -0.656958    0.00   0.000121888   0.000110267   0.000189949
 H      1.920264     -0.031182     -1.609113    0.00   0.000018652   0.000048927   0.000032589
 O      3.549950      0.330800     -0.360365    0.00   0.000182180  -0.000226350   0.000487297
26
 Energy =      -0.203282062959
 C     -0.162115      2.002684      0.575733    0.00  -0.000044297   0.000059332  -0.000161295
 C     -1.355620      2.177769     -0.371012    0.00  -0.000184921   0.000008349   0.000010545
 C     -1.541464      0.948528     -1.267647    0.00  -0.000257954  -0.000000996   0.000036056
 C     -1.773848     -0.325630     -0.438226    0.00  -0.000080438  -0.000010504   0.000067945
 C     -0.628283     -0.497151      0.593234    0.00   0.000059238   0.000041067  -0.000078768
 C     -0.294149      0.737929      1.427324    0.00   0.000118725   0.000065419  -0.000128765
 H     -2.398822      1.103431     -1.950492    0.00  -0.000028736  -0.000003725   0.000014645
 H     -2.277739      2.361659      0.214509    0.00  -0.000007425  -0.000003050   0.000010945
 H     -1.210470      3.080042     -0.995450    0.00  -0.000026529   0.000000182   0.000000216
 H      0.779984      1.968934     -0.005027    0.00  -0.000012806   0.000007246  -0.000023978
 H     -0.072463      2.885743      1.238872    0.00   0.000001440   0.000005490  -0.000015895
 H     -2.716055     -0.217520      0.159846    0.00   0.000001332  -0.000004998   0.000015400
 H     -1.095103      0.864071      2.186686    0.00   0.000019065   0.000003551  -0.000003280
 H      0.637185      0.565511      2.005137    0.00   0.000015073   0.000008937  -0.000021450
 H     -0.656946      0.816483     -1.920066    0.00  -0.000030537   0.000003334  -0.000006248
 O     -1.028712     -1.556877      1.460220    0.00   0.000298652   0.000050726  -0.000017015
 C     -1.892885     -1.561934     -1.327757    0.00  -0.000137346  -0.000018661   0.000083868
 H     -2.050273     -2.461880     -0.714487    0.00   0.000000857  -0.000001127   0.000007842
 H     -2.735654     -1.480068     -2.021393    0.00  -0.000018680  -0.000005920   0.000018873
 H     -0.985270     -1.732526     -1.919671    0.00  -0.000019729   0.000003132  -0.000002941
 H     -0.254016     -2.029201      1.828174    0.00   0.000023583   0.000004888  -0.000012996
 O      0.477690     -1.048251     -0.183382    0.00  -0.000035033   0.000203523  -0.000344719
 O      1.723467     -0.653842      0.394418    0.00   0.000022695  -0.000338714  -0.000148395
 C      2.451478     -0.054362     -0.653778    0.00   0.000123399   0.000104441   0.000187577
 H      1.922617     -0.020776     -1.605869    0.00   0.000018950   0.000047295   0.000032149
 O      3.552697      0.327881     -0.353827    0.00   0.000181423  -0.000229215   0.000479685
26
 Energy =      -0.203313296292
 C     -0.162908      2.003758      0.572887    0.00  -0.000046331   0.000059245  -0.000158064
 C     -1.358951      2.177917     -0.370838    0.00  -0.000184212   0.000008326   0.000011284
 C     -1.546064      0.948525     -1.266999    0.00  -0.000254967  -0.000000969   0.000036319
 C     -1.775285     -0.325835     -0.437024    0.00  -0.000079076  -0.000010422   0.000067122
 C     -0.627220     -0.496364      0.591874    0.00   0.000058343   0.000041088  -0.000078007
 C     -0.292059      0.739093      1.425039    0.00   0.000114878   0.000065198  -0.000126544
 H     -2.405271      1.102719     -1.947676    0.00  -0.000028324  -0.000003732   0.000014519
 H     -2.279728      2.361065      0.217025    0.00  -0.000007465  -0.000003050   0.000010803
 H     -1.216112      3.080303     -0.995639    0.00  -0.000026338   0.000000175   0.000000347
 H      0.777668      1.970526     -0.010326    0.00  -0.000012877   0.000007208  -0.000023499
 H     -0.072132      2.886999      1.235637    0.00   0.000001136   0.000005479  -0.000015603
 H     -2.716147     -0.218599      0.163340    0.00   0.000001393  -0.000004964   0.000015167
 H     -1.091334      0.864819      2.186237    0.00   0.000018559   0.000003496  -0.000003289
 H      0.640666      0.567369      2.000801    0.00   0.000014611   0.000008949  -0.000021061
 H     -0.663074      0.817197     -1.921649    0.00  -0.000030182   0.000003348  -0.000006037
 O     -1.024724     -1.556221      1.459988    0.00   0.000296593   0.000048974  -0.000019628
 C     -1.895326     -1.562257     -1.326248    0.00  -0.000134899  -0.000018492   0.000082879
 H     -2.050138     -2.462381     -0.712577    0.00   0.000000979  -0.000001084   0.000007688
 H     -2.739987     -1.481285     -2.017683    0.00  -0.000018335  -0.000005896   0.000018723
 H     -0.989078     -1.731899     -1.920540    0.00  -0.000019499   0.000003132  -0.000002875
 H     -0.248796     -2.028328      1.825591    0.00   0.000023445   0.000005080  -0.000012710
 O      0.477134     -1.045580     -0.188109    0.00  -0.000032805   0.000204040  -0.000338436
 O      1.723790     -0.658389      0.392735    0.00   0.000021022  -0.000327701  -0.000147643
 C      2.453516     -0.052562     -0.650595    0.00   0.000124697   0.000098702   0.000185065
 H      1.925095     -0.010550     -1.602590    0.00   0.000019215   0.000045678   0.000031695
 O      3.555470      0.324882     -0.347302    0.00   0.000180437  -0.000231806   0.000471787
26
 Energy =      -0.203344077362
 C     -0.163748      2.004846      0.570058    0.00  -0.000048247   0.000059114  -0.000154817
 C     -1.362318      2.178065     -0.370647    0.00  -0.000183392   0.000008299   0.000012036
 C     -1.550676      0.948523     -1.266337    0.00  -0.000251884  -0.000000923   0.000036555
 C     -1.776718     -0.326041     -0.435820    0.00  -0.000077649  -0.000010343   0.000066243
 C     -0.626157     -0.495565      0.590509    0.00   0.000057425   0.000041087  -0.000077192
 C     -0.290009      0.740271      1.422761    0.00   0.000111076   0.000064947  -0.000124282
 H     -2.411726      1.101997     -1.944844    0.00  -0.000027904  -0.000003735   0.000014391
 H     -2.281753      2.360461      0.219547    0.00  -0.000007493  -0.000003049   0.000010661
 H     -1.221795      3.080568     -0.995803    0.00  -0.000026138   0.000000167   0.000000481
 H      0.775301      1.972132     -0.015599    0.00  -0.000012937   0.000007162  -0.000023020
 H     -0.071861      2.888270      1.232416    0.00   0.000000845   0.000005464  -0.000015311
 H     -2.716228     -0.219687      0.166835    0.00   0.000001453  -0.000004935   0.000014922
 H     -1.087615      0.865565      2.185776    0.00   0.000018056   0.000003443  -0.000003294
 H      0.644096      0.569256      1.996484    0.00   0.000014152   0.000008955  -0.000020669
 H     -0.669216      0.817925     -1.923210    0.00  -0.000029819   0.000003365  -0.000005829
 O     -1.020707     -1.555578      1.459717    0.00   0.000294237   0.000047313  -0.000022114
 C     -1.897755     -1.562581     -1.324735    0.00  -0.000132252  -0.000018307   0.000081770
 H     -2.049972     -2.462883     -0.710670    0.00   0.000001111  -0.000001041   0.000007519
 H     -2.744312     -1.482513     -2.013954    0.00  -0.000017968  -0.000005869   0.000018552
 H     -0.992885     -1.731263     -1.921410    0.00  -0.000019243   0.000003136  -0.000002810
 H     -0.243540     -2.027398      1.823031    0.00   0.000023284   0.000005269  -0.000012412
 O      0.476602     -1.042863     -0.192817    0.00  -0.000030602   0.000204285  -0.000331970
 O      1.724094     -0.662855      0.391032    0.00   0.000019428  -0.000316825  -0.000146680
 C      2.455603     -0.050840     -0.647411    0.00   0.000125784   0.000093062   0.000182425
 H      1.927694     -0.000502     -1.599280    0.00   0.000019447   0.000044079   0.000031229
 O      3.558267      0.321804     -0.340792    0.00   0.000179228  -0.000234121   0.000463617
26
 Energy =      -0.203374393992
 C     -0.164635      2.005949      0.567245    0.00  -0.000050043   0.000058937  -0.000151550
 C     -1.365721      2.178216     -0.370440    0.00  -0.000182458   0.000008269   0.000012790
 C     -1.555301      0.948522     -1.265660    0.00  -0.000248702  -0.000000863   0.000036764
 C     -1.778146     -0.326249     -0.434614    0.00  -0.000076160  -0.000010266   0.000065304
 C     -0.625094     -0.494755      0.589137    0.00   0.000056482   0.000041061  -0.000076321
 C     -0.287997      0.741461      1.420491    0.00   0.000107319   0.000064666  -0.000121982
 H     -2.418187      1.101264     -1.941996    0.00  -0.000027474  -0.000003736   0.000014261
 H     -2.283812      2.359847      0.222078    0.00  -0.000007512  -0.000003050   0.000010521
 H     -1.227520      3.080835     -0.995940    0.00  -0.000025926   0.000000159   0.000000616
 H      0.772884      1.973753     -0.020848    0.00  -0.000012987   0.000007110  -0.000022537
 H     -0.071649      2.889557      1.229208    0.00   0.000000567   0.000005445  -0.000015018
 H     -2.716299     -0.220786      0.170330    0.00   0.000001512  -0.000004909   0.000014664
 H     -1.083945      0.866310      2.185305    0.00   0.000017557   0.000003391  -0.000003296
 H      0.647475      0.571172      1.992184    0.00   0.000013696   0.000008956  -0.000020271
 H     -0.675371      0.818669     -1.924749    0.00  -0.000029447   0.000003383  -0.000005621
 O     -1.016662     -1.554949      1.459410    0.00   0.000291598   0.000045741  -0.000024470
 C     -1.900171     -1.562905     -1.323221    0.00  -0.000129418  -0.000018107   0.000080552
 H     -2.049772     -2.463387     -0.708770    0.00   0.000001253  -0.000000997   0.000007338
 H     -2.748624     -1.483754     -2.010211    0.00  -0.000017578  -0.000005841   0.000018361
 H     -0.996689     -1.730615     -1.922282    0.00  -0.000018964   0.000003143  -0.000002747
 H     -0.238249     -2.026409      1.820496    0.00   0.000023097   0.000005457  -0.000012103
 O      0.476092     -1.040100     -0.197505    0.00  -0.000028429   0.000204268  -0.000325339
 O      1.724380     -0.667240      0.389311    0.00   0.000017912  -0.000306096  -0.000145515
 C      2.457740     -0.049194     -0.644228    0.00   0.000126660   0.000087536   0.000179662
 H      1.930411      0.009369     -1.595941    0.00   0.000019645   0.000042502   0.000030753
 O      3.561087      0.318646     -0.334297    0.00   0.000177801  -0.000236160   0.000455185
26
 Energy =      -0.203404234369
 C     -0.165570      2.007065      0.564450    0.00  -0.000051722   0.000058715  -0.000148266
 C     -1.369159      2.178368     -0.370216    0.00  -0.000181404   0.000008232   0.000013545
 C     -1.559939      0.948523     -1.264970    0.00  -0.000245414  -0.000000791   0.000036942
 C     -1.779568     -0.326459     -0.433407    0.00  -0.000074620  -0.000010190   0.000064308
 C     -0.624032     -0.493933      0.587761    0.00   0.000055523   0.000041006  -0.000075397
 C     -0.286023      0.742664      1.418229    0.00   0.000103609   0.000064356  -0.000119643
 H     -2.424654      1.100520     -1.939132    0.00  -0.000027034  -0.000003733   0.000014127
 H     -2.285906      2.359223      0.224617    0.00  -0.000007522  -0.000003051   0.000010380
 H     -1.233289      3.081107     -0.996049    0.00  -0.000025702   0.000000151   0.000000753
 H      0.770417      1.975389     -0.026073    0.00  -0.000013027   0.000007052  -0.000022052
 H     -0.071494      2.890858      1.226014    0.00   0.000000302   0.000005422  -0.000014724
 H     -2.716358     -0.221898      0.173824    0.00   0.000001569  -0.000004885   0.000014396
 H     -1.080325      0.867054      2.184824    0.00   0.000017060   0.000003340  -0.000003294
 H      0.650805      0.573116      1.987903    0.00   0.000013244   0.000008951  -0.000019869
 H     -0.681541      0.819430     -1.926267    0.00  -0.000029069   0.000003403  -0.000005416
 O     -1.012592     -1.554331      1.459065    0.00   0.000288680   0.000044254  -0.000026689
 C     -1.902571     -1.563231     -1.321706    0.00  -0.000126415  -0.000017891   0.000079231
 H     -2.049537     -2.463893     -0.706877    0.00   0.000001402  -0.000000953   0.000007145
 H     -2.752920     -1.485007     -2.006454    0.00  -0.000017167  -0.000005811   0.000018151
 H     -1.000487     -1.729956     -1.923157    0.00  -0.000018664   0.000003153  -0.000002683
 H     -0.232925     -2.025361      1.817987    0.00   0.000022890   0.000005639  -0.000011787
 O      0.475606     -1.037293     -0.202173    0.00  -0.000026291   0.000203995  -0.000318553
 O      1.724650     -0.671546      0.387574    0.00   0.000016471  -0.000295525  -0.000144161
 C      2.459923     -0.047623     -0.641045    0.00   0.000127324   0.000082133   0.000176786
 H      1.933243      0.019066     -1.592575    0.00   0.000019811   0.000040947   0.000030269
 O      3.563929      0.315410     -0.327820    0.00   0.000176163  -0.000237919   0.000446505
26
 Energy =      -0.203433587068
 C     -0.166550      2.008195      0.561671    0.00  -0.000053283   0.000058450  -0.000144963
 C     -1.372633      2.178521     -0.369973    0.00  -0.000180228   0.000008190   0.000014291
 C     -1.564591      0.948525     -1.264265    0.00  -0.000242019  -0.000000711   0.000037087
 C     -1.780984     -0.326671     -0.432200    0.00  -0.000073024  -0.000010114   0.000063262
 C     -0.622970     -0.493099      0.586379    0.00   0.000054540   0.000040926  -0.000074421
 C     -0.284086      0.743881      1.415974    0.00   0.000099947   0.000064012  -0.000117270
 H     -2.431129      1.099766     -1.936250    0.00  -0.000026584  -0.000003727   0.000013989
 H     -2.288035      2.358586      0.227167    0.00  -0.000007521  -0.000003051   0.000010237
 H     -1.239103      3.081382     -0.996130    0.00  -0.000025466   0.000000142   0.000000889
 H      0.767900      1.977038     -0.031275    0.00  -0.000013056   0.000006989  -0.000021564
 H     -0.071394      2.892175      1.222833    0.00   0.000000049   0.000005394  -0.000014428
 H     -2.716407     -0.223024      0.177315    0.00   0.000001625  -0.000004863   0.000014118
 H     -1.076753      0.867798      2.184332    0.00   0.000016568   0.000003290  -0.000003289
 H      0.654086      0.575091      1.983640    0.00   0.000012797   0.000008939  -0.000019464
 H     -0.687726      0.820210     -1.927765    0.00  -0.000028680   0.000003422  -0.000005213
 O     -1.008498     -1.553725      1.458685    0.00   0.000285498   0.000042850  -0.000028771
 C     -1.904952     -1.563558     -1.320193    0.00  -0.000123256  -0.000017664   0.000077812
 H     -2.049262     -2.464403     -0.704994    0.00   0.000001556  -0.000000909   0.000006942
 H     -2.757196     -1.486274     -2.002686    0.00  -0.000016738  -0.000005779   0.000017922
 H     -1.004273     -1.729282     -1.924035    0.00  -0.000018342   0.000003165  -0.000002621
 H     -0.227570     -2.024251      1.815507    0.00   0.000022659   0.000005817  -0.000011464
 O      0.475143     -1.034444     -0.206818    0.00  -0.000024192   0.000203467  -0.000311625
 O      1.724903     -0.675774      0.385822    0.00   0.000015104  -0.000285120  -0.000142631
 C      2.462153     -0.046129     -0.637865    0.00   0.000127783   0.000076865   0.000173804
 H      1.936186      0.028591     -1.589185    0.00   0.000019944   0.000039416   0.000029778
 O      3.566791      0.312094     -0.321361    0.00   0.000174319  -0.000239396   0.000437591
26
 Energy =      -0.203462441057
 C     -0.167576      2.009339      0.558908    0.00  -0.000054726   0.000058140  -0.000141640
 C     -1.376144      2.178677     -0.369712    0.00  -0.000178928   0.000008141   0.000015024
 C     -1.569256      0.948530     -1.263545    0.00  -0.000238514  -0.000000625   0.000037199
 C     -1.782392     -0.326886     -0.430992    0.00  -0.000071383  -0.000010036   0.000062162
 C     -0.621908     -0.492253      0.584993    0.00   0.000053538   0.000040815  -0.000073393
 C     -0.282187      0.745111      1.413727    0.00   0.000096337   0.000063635  -0.000114861
 H     -2.437612      1.099002     -1.933351    0.00  -0.000026122  -0.000003718   0.000013847
 H     -2.290198      2.357938      0.229729    0.00  -0.000007511  -0.000003052   0.000010093
 H     -1.244962      3.081662     -0.996182    0.00  -0.000025216   0.000000133   0.000001025
 H      0.765332      1.978701     -0.036455    0.00  -0.000013074   0.000006922  -0.000021072
 H     -0.071351      2.893508      1.219665    0.00  -0.000000193   0.000005362  -0.000014131
 H     -2.716445     -0.224165      0.180803    0.00   0.000001679  -0.000004844   0.000013829
 H     -1.073229      0.868543      2.183831    0.00   0.000016080   0.000003242  -0.000003281
 H      0.657319      0.577096      1.979396    0.00   0.000012353   0.000008920  -0.000019056
 H     -0.693926      0.821007     -1.929242    0.00  -0.000028283   0.000003440  -0.000005011
 O     -1.004380     -1.553128      1.458270    0.00   0.000282063   0.000041526  -0.000030710
 C     -1.907311     -1.563886     -1.318681    0.00  -0.000119957  -0.000017424   0.000076305
 H     -2.048946     -2.464915     -0.703124    0.00   0.000001716  -0.000000863   0.000006729
 H     -2.761449     -1.487555     -1.998909    0.00  -0.000016291  -0.000005744   0.000017675
 H     -1.008047     -1.728594     -1.924917    0.00  -0.000018001   0.000003177  -0.000002557
 H     -0.222184     -2.023080      1.813058    0.00   0.000022405   0.000005987  -0.000011138
 O      0.474704     -1.031553     -0.211440    0.00  -0.000022136   0.000202695  -0.000304573
 O      1.725141     -0.679925      0.384058    0.00   0.000013811  -0.000274887  -0.000140933
 C      2.464426     -0.044709     -0.634687    0.00   0.000128034   0.000071735   0.000170725
 H      1.939236      0.037945     -1.585772    0.00   0.000020045   0.000037911   0.000029283
 O      3.569674      0.308700     -0.314922    0.00   0.000172276  -0.000240587   0.000428458
26
 Energy =      -0.203490785698
 C     -0.168649      2.010498      0.556161    0.00  -0.000056054   0.000057790  -0.000138302
 C     -1.379690      2.178833     -0.369431    0.00  -0.000177501   0.000008083   0.000015742
 C     -1.573934      0.948536     -1.262811    0.00  -0.000234900  -0.000000534   0.000037272
 C     -1.783794     -0.327102     -0.429785    0.00  -0.000069694  -0.000009959   0.000061019
 C     -0.620847     -0.491394      0.583602    0.00   0.000052515   0.000040680  -0.000072313
 C     -0.280325      0.746356      1.411488    0.00   0.000092779   0.000063219  -0.000112422
 H     -2.444104      1.098228     -1.930433    0.00  -0.000025651  -0.000003707   0.000013700
 H     -2.292397      2.357278      0.232302    0.00  -0.000007489  -0.000003052   0.000009946
 H     -1.250866      3.081946     -0.996204    0.00  -0.000024954   0.000000121   0.000001161
 H      0.762715      1.980378     -0.041613    0.00  -0.000013080   0.000006849  -0.000020578
 H     -0.071362      2.894856      1.216509    0.00  -0.000000424   0.000005327  -0.000013831
 H     -2.716471     -0.225324      0.184287    0.00   0.000001733  -0.000004825   0.000013532
 H     -1.069753      0.869289      2.183320    0.00   0.000015596   0.000003193  -0.000003269
 H      0.660504      0.579130      1.975169    0.00   0.000011914   0.000008896  -0.000018644
 H     -0.700143      0.821825     -1.930700    0.00  -0.000027875   0.000003458  -0.000004810
 O     -1.000241     -1.552540      1.457820    0.00   0.000278386   0.000040280  -0.000032505
 C     -1.909646     -1.564215     -1.317173    0.00  -0.000116534  -0.000017173   0.000074715
 H     -2.048586     -2.465430     -0.701267    0.00   0.000001878  -0.000000818   0.000006508
 H     -2.765676     -1.488849     -1.995125    0.00  -0.000015829  -0.000005706   0.000017412
 H     -1.011803     -1.727890     -1.925801    0.00  -0.000017643   0.000003189  -0.000002494
 H     -0.216771     -2.021846      1.810639    0.00   0.000022129   0.000006149  -0.000010808
 O      0.474288     -1.028622     -0.216039    0.00  -0.000020125   0.000201676  -0.000297404
 O      1.725363     -0.684001      0.382281    0.00   0.000012586  -0.000264832  -0.000139082
 C      2.466742     -0.043362     -0.631514    0.00   0.000128085   0.000066752   0.000167554
 H      1.942391      0.047131     -1.582339    0.00   0.000020114   0.000036434   0.000028783
 O      3.572575      0.305227     -0.308505    0.00   0.000170038  -0.000241492   0.000419120
26
 Energy =      -0.203518610756
 C     -0.169766      2.011671      0.553431    0.00  -0.000057262   0.000057396  -0.000134946
 C     -1.383273      2.178992     -0.369132    0.00  -0.000175945   0.000008019   0.000016439
 C     -1.578626      0.948545     -1.262062    0.00  -0.000231174  -0.000000444   0.000037309
 C     -1.785187     -0.327322     -0.428579    0.00  -0.000067966  -0.000009878   0.000059829
 C     -0.619786     -0.490523      0.582207    0.00   0.000051473   0.000040514  -0.000071184
 C     -0.278499      0.747615      1.409257    0.00   0.000089277   0.000062767  -0.000109956
 H     -2.450605      1.097443     -1.927496    0.00  -0.000025168  -0.000003693   0.000013547
 H     -2.294630      2.356604      0.234889    0.00  -0.000007459  -0.000003051   0.000009795
 H     -1.256818      3.082234     -0.996196    0.00  -0.000024678   0.000000109   0.000001295
 H      0.760047      1.982068     -0.046750    0.00  -0.000013074   0.000006771  -0.000020081
 H     -0.071427      2.896220      1.213365    0.00  -0.000000645   0.000005288  -0.000013529
 H     -2.716486     -0.226500      0.187764    0.00   0.000001784  -0.000004805   0.000013225
 H     -1.066323      0.870036      2.182801    0.00   0.000015119   0.000003145  -0.000003253
 H      0.663642      0.581196      1.970960    0.00   0.000011479   0.000008864  -0.000018230
 H     -0.706376      0.822662     -1.932139    0.00  -0.000027457   0.000003473  -0.000004612
 O     -0.996081     -1.551960      1.457336    0.00   0.000274479   0.000039108  -0.000034154
 C     -1.911954     -1.564544     -1.315670    0.00  -0.000112999  -0.000016913   0.000073048
 H     -2.048179     -2.465948     -0.699426    0.00   0.000002041  -0.000000771   0.000006279
 H     -2.769873     -1.490158     -1.991337    0.00  -0.000015353  -0.000005666   0.000017132
 H     -1.015539     -1.727170     -1.926690    0.00  -0.000017269   0.000003202  -0.000002431
 H     -0.211331     -2.020550      1.808253    0.00   0.000021831   0.000006302  -0.000010478
 O      0.473895     -1.025651     -0.220614    0.00  -0.000018163   0.000200422  -0.000290132
 O      1.725571     -0.688003      0.380494    0.00   0.000011429  -0.000254965  -0.000137085
 C      2.469099     -0.042089     -0.628345    0.00   0.000127937   0.000061925   0.000164302
 H      1.945647      0.056153     -1.578886    0.00   0.000020153   0.000034985   0.000028282
 O      3.575494      0.301676     -0.302111    0.00   0.000167612  -0.000242106   0.000409590
26
 Energy =      -0.203545906389
 C     -0.170929      2.012858      0.550716    0.00  -0.000058355   0.000056961  -0.000131575
 C     -1.386892      2.179152     -0.368812    0.00  -0.000174260   0.000007945   0.000017111
 C     -1.583331      0.948557     -1.261299    0.00  -0.000227337  -0.000000352   0.000037304
 C     -1.786571     -0.327544     -0.427374    0.00  -0.000066199  -0.000009794   0.000058599
 C     -0.618726     -0.489638      0.580808    0.00   0.000050413   0.000040319  -0.000070012
 C     -0.276709      0.748888      1.407033    0.00   0.000085832   0.000062278  -0.000107461
 H     -2.457114      1.096648     -1.924540    0.00  -0.000024675  -0.000003677   0.000013389
 H     -2.296897      2.355917      0.237490    0.00  -0.000007418  -0.000003049   0.000009641
 H     -1.262816      3.082526     -0.996156    0.00  -0.000024387   0.000000095   0.000001427
 H      0.757330      1.983773     -0.051865    0.00  -0.000013057   0.000006690  -0.000019581
 H     -0.071546      2.897601      1.210233    0.00  -0.000000855   0.000005244  -0.000013225
 H     -2.716489     -0.227696      0.191234    0.00   0.000001834  -0.000004787   0.000012910
 H     -1.062940      0.870785      2.182273    0.00   0.000014646   0.000003096  -0.000003235
 H      0.666733      0.583292      1.966769    0.00   0.000011050   0.000008826  -0.000017814
 H     -0.712625      0.823520     -1.933559    0.00  -0.000027028   0.000003487  -0.000004414
 O     -0.991903     -1.551387      1.456820    0.00   0.000270347   0.000038008  -0.000035654
 C     -1.914233     -1.564874     -1.314172    0.00  -0.000109368  -0.000016642   0.000071311
 H     -2.047723     -2.466470     -0.697602    0.00   0.000002205  -0.000000723   0.000006044
 H     -2.774038     -1.491481     -1.987546    0.00  -0.000014865  -0.000005622   0.000016837
 H     -1.019253     -1.726432     -1.927583    0.00  -0.000016880   0.000003213  -0.000002367
 H     -0.205865     -2.019190      1.805900    0.00   0.000021513   0.000006444  -0.000010149
 O      0.473525     -1.022641     -0.225163    0.00  -0.000016254   0.000198933  -0.000282770
 O      1.725764     -0.691932      0.378698    0.00   0.000010339  -0.000245287  -0.000134956
 C      2.471495     -0.040889     -0.625181    0.00   0.000127595   0.000057253   0.000160974
 H      1.949000      0.065012     -1.575415    0.00   0.000020160   0.000033565   0.000027778
 O      3.578430      0.298047     -0.295742    0.00   0.000165005  -0.000242426   0.000399885
26
 Energy =      -0.203572663154
 C     -0.172137      2.014060      0.548018    0.00  -0.000059331   0.000056481  -0.000128191
 C     -1.390548      2.179313     -0.368473    0.00  -0.000172444   0.000007863   0.000017755
 C     -1.588049      0.948571     -1.260520    0.00  -0.000223388  -0.000000264   0.000037260
 C     -1.787946     -0.327769     -0.426171    0.00  -0.000064403  -0.000009706   0.000057328
 C     -0.617666     -0.488742      0.579405    0.00   0.000049343   0.000040090  -0.000068793
 C     -0.274954      0.750176      1.404818    0.00   0.000082447   0.000061755  -0.000104940
 H     -2.463632      1.095843     -1.921565    0.00  -0.000024170  -0.000003658   0.000013225
 H     -2.299199      2.355216      0.240105    0.00  -0.000007368  -0.000003047   0.000009484
 H     -1.268863      3.082824     -0.996085    0.00  -0.000024082   0.000000081   0.000001556
 H      0.754562      1.985492     -0.056960    0.00  -0.000013028   0.000006607  -0.000019076
 H     -0.071718      2.898997      1.207113    0.00  -0.000001055   0.000005196  -0.000012919
 H     -2.716481     -0.228912      0.194697    0.00   0.000001882  -0.000004766   0.000012587
 H     -1.059602      0.871536      2.181737    0.00   0.000014178   0.000003049  -0.000003213
 H      0.669779      0.585419      1.962595    0.00   0.000010626   0.000008780  -0.000017396
 H     -0.718891      0.824400     -1.934959    0.00  -0.000026590   0.000003498  -0.000004219
 O     -0.987706     -1.550820      1.456270    0.00   0.000266001   0.000036975  -0.000037005
 C     -1.916481     -1.565204     -1.312681    0.00  -0.000105654  -0.000016362   0.000069510
 H     -2.047217     -2.466996     -0.695797    0.00   0.000002367  -0.000000675   0.000005802
 H     -2.778167     -1.492819     -1.983755    0.00  -0.000014366  -0.000005575   0.000016527
 H     -1.022940     -1.725676     -1.928480    0.00  -0.000016477   0.000003224  -0.000002303
 H     -0.200375     -2.017768      1.803579    0.00   0.000021176   0.000006575  -0.000009822
 O      0.473178     -1.019595     -0.229686    0.00  -0.000014402   0.000197216  -0.000275328
 O      1.725945     -0.695791      0.376894    0.00   0.000009314  -0.000235804  -0.000132702
 C      2.473930     -0.039759     -0.622022    0.00   0.000127063   0.000052743   0.000157578
 H      1.952447      0.073713     -1.571928    0.00   0.000020138   0.000032174   0.000027274
 O      3.581381      0.294340     -0.289398    0.00   0.000162222  -0.000242450   0.000390020
26
 Energy =      -0.203598871976
 C     -0.173389      2.015277      0.545336    0.00  -0.000060189   0.000055962  -0.000124793
 C     -1.394240      2.179476     -0.368113    0.00  -0.000170498   0.000007773   0.000018368
 C     -1.592781      0.948588     -1.259727    0.00  -0.000219329  -0.000000178   0.000037175
 C     -1.789311     -0.327997     -0.424971    0.00  -0.000062575  -0.000009612   0.000056020
 C     -0.616607     -0.487832      0.578000    0.00   0.000048250   0.000039831  -0.000067530
 C     -0.273235      0.751479      1.402610    0.00   0.000079123   0.000061186  -0.000102400
 H     -2.470159      1.095027     -1.918570    0.00  -0.000023654  -0.000003638   0.000013054
 H     -2.301535      2.354500      0.242736    0.00  -0.000007307  -0.000003043   0.000009322
 H     -1.274957      3.083126     -0.995981    0.00  -0.000023763   0.000000064   0.000001682
 H      0.751745      1.987225     -0.062033    0.00  -0.000012987   0.000006519  -0.000018570
 H     -0.071944      2.900410      1.204006    0.00  -0.000001246   0.000005145  -0.000012611
 H     -2.716461     -0.230149      0.198150    0.00   0.000001928  -0.000004744   0.000012258
 H     -1.056309      0.872289      2.181193    0.00   0.000013718   0.000003000  -0.000003187
 H      0.672779      0.587578      1.958439    0.00   0.000010207   0.000008729  -0.000016976
 H     -0.725173      0.825301     -1.936342    0.00  -0.000026140   0.000003505  -0.000004024
 O     -0.983493     -1.550257      1.455690    0.00   0.000261459   0.000036008  -0.000038206
 C     -1.918696     -1.565535     -1.311198    0.00  -0.000101870  -0.000016073   0.000067652
 H     -2.046658     -2.467525     -0.694013    0.00   0.000002527  -0.000000626   0.000005556
 H     -2.782258     -1.494172     -1.979965    0.00  -0.000013857  -0.000005525   0.000016203
 H     -1.026599     -1.724901     -1.929382    0.00  -0.000016063   0.000003232  -0.000002238
 H     -0.194864     -2.016283      1.801292    0.00   0.000020816   0.000006693  -0.000009499
 O      0.472854     -1.016513     -0.234183    0.00  -0.000012604   0.000195277  -0.000267818
 O      1.726112     -0.699580      0.375084    0.00   0.000008350  -0.000226520  -0.000130335
 C      2.476400     -0.038700     -0.618871    0.00   0.000126347   0.000048398   0.000154119
 H      1.955984      0.082257     -1.568426    0.00   0.000020086   0.000030812   0.000026770
 O      3.584346      0.290556     -0.283081    0.00   0.000159268  -0.000242176   0.000380008
26
 Energy =      -0.203624524174
 C     -0.174685      2.016508      0.542670    0.00  -0.000060932   0.000055402  -0.000121385
 C     -1.397969      2.179640     -0.367732    0.00  -0.000168419   0.000007671   0.000018946
 C     -1.597525      0.948608     -1.258920    0.00  -0.000215160  -0.000000097   0.000037046
 C     -1.790666     -0.328229     -0.423773    0.00  -0.000060721  -0.000009514   0.000054678
 C     -0.615548     -0.486908      0.576591    0.00   0.000047146   0.000039541  -0.000066225
 C     -0.271550      0.752798      1.400411    0.00   0.000075863   0.000060580  -0.000099839
 H     -2.476695      1.094201     -1.915556    0.00  -0.000023127  -0.000003614   0.000012878
 H     -2.303905      2.353770      0.245382    0.00  -0.000007237  -0.000003037   0.000009156
 H     -1.281100      3.083432     -0.995845    0.00  -0.000023429   0.000000046   0.000001804
 H      0.748879      1.988972     -0.067086    0.00  -0.000012934   0.000006428  -0.000018059
 H     -0.072222      2.901840      1.200911    0.00  -0.000001426   0.000005090  -0.000012301
 H     -2.716430     -0.231408      0.201593    0.00   0.000001972  -0.000004720   0.000011922
 H     -1.053061      0.873045      2.180641    0.00   0.000013264   0.000002951  -0.000003159
 H      0.675735      0.589768      1.954300    0.00   0.000009794   0.000008668  -0.000016556
 H     -0.731472      0.826225     -1.937706    0.00  -0.000025680   0.000003510  -0.000003832
 O     -0.979265     -1.549697      1.455078    0.00   0.000256721   0.000035103  -0.000039257
 C     -1.920876     -1.565867     -1.309724    0.00  -0.000098029  -0.000015775   0.000065740
 H     -2.046045     -2.468057     -0.692252    0.00   0.000002683  -0.000000575   0.000005306
 H     -2.786307     -1.495540     -1.976178    0.00  -0.000013340  -0.000005472   0.000015866
 H     -1.030226     -1.724107     -1.930289    0.00  -0.000015637   0.000003239  -0.000002172
 H     -0.189331     -2.014736      1.799038    0.00   0.000020440   0.000006797  -0.000009180
 O      0.472553     -1.013395     -0.238652    0.00  -0.000010866   0.000193117  -0.000260249
 O      1.726266     -0.703302      0.373268    0.00   0.000007446  -0.000217438  -0.000127863
 C      2.478906     -0.037711     -0.615726    0.00   0.000125451   0.000044218   0.000150604
 H      1.959608      0.090649     -1.564910    0.00   0.000020007   0.000029481   0.000026266
 O      3.587325      0.286695     -0.276792    0.00   0.000156151  -0.000241601   0.000369866
26
 Energy =      -0.203649611409
 C     -0.176026      2.017754      0.540020    0.00  -0.000061558   0.000054800  -0.000117968
 C     -1.401733      2.179806     -0.367330    0.00  -0.000166211   0.000007562   0.000019487
 C     -1.602282      0.948630     -1.258097    0.00  -0.000210884  -0.000000021   0.000036874
 C     -1.792009     -0.328463     -0.422578    0.00  -0.000058844  -0.000009409   0.000053306
 C     -0.614490     -0.485972      0.575180    0.00   0.000046028   0.000039215  -0.000064884
 C     -0.269899      0.754131      1.398220    0.00   0.000072667   0.000059934  -0.000097260
 H     -2.483239      1.093364     -1.912522    0.00  -0.000022590  -0.000003589   0.000012693
 H     -2.306309      2.353023      0.248044    0.00  -0.000007157  -0.000003029   0.000008985
 H     -1.287291      3.083743     -0.995676    0.00  -0.000023080   0.000000025   0.000001924
 H      0.745963      1.990735     -0.072118    0.00  -0.000012869   0.000006335  -0.000017547
 H     -0.072553      2.903287      1.197827    0.00  -0.000001598   0.000005031  -0.000011988
 H     -2.716386     -0.232690      0.205025    0.00   0.000002014  -0.000004694   0.000011580
 H     -1.049856      0.873804      2.180083    0.00   0.000012816   0.000002902  -0.000003128
 H      0.678648      0.591989      1.950178    0.00   0.000009388   0.000008601  -0.000016134
 H     -0.737787      0.827172     -1.939051    0.00  -0.000025208   0.000003510  -0.000003640
 O     -0.975022     -1.549140      1.454437    0.00   0.000251803   0.000034258  -0.000040157
 C     -1.923018     -1.566198     -1.308261    0.00  -0.000094144  -0.000015469   0.000063784
 H     -2.045376     -2.468594     -0.690514    0.00   0.000002835  -0.000000524   0.000005052
 H     -2.790312     -1.496923     -1.972397    0.00  -0.000012817  -0.000005415   0.000015517
 H     -1.033819     -1.723293     -1.931200    0.00  -0.000015202   0.000003242  -0.000002105
 H     -0.183779     -2.013127      1.796817    0.00   0.000020044   0.000006887  -0.000008868
 O      0.472274     -1.010243     -0.243093    0.00  -0.000009191   0.000190744  -0.000252632
 O      1.726409     -0.706957      0.371448    0.00   0.000006601  -0.000208558  -0.000125296
 C      2.481445     -0.036790     -0.612589    0.00   0.000124381   0.000040207   0.000147038
 H      1.963316      0.098891     -1.561380    0.00   0.000019899   0.000028179   0.000025764
 O      3.590316      0.282757     -0.270533    0.00   0.000152877  -0.000240725   0.000359605
26
 Energy =      -0.203674125717
 C     -0.177411      2.019015      0.537386    0.00  -0.000062069   0.000054158  -0.000114542
 C     -1.405534      2.179972     -0.366907    0.00  -0.000163872   0.000007443   0.000019988
 C     -1.607051      0.948655     -1.257260    0.00  -0.000206500   0.000000049   0.000036657
 C     -1.793341     -0.328702     -0.421387    0.00  -0.000056950  -0.000009299   0.000051904
 C     -0.613432     -0.485022      0.573766    0.00   0.000044897   0.000038860  -0.000063503
 C     -0.268282      0.755481      1.396037    0.00   0.000069538   0.000059245  -0.000094668
 H     -2.489791      1.092517     -1.909468    0.00  -0.000022042  -0.000003562   0.000012503
 H     -2.308747      2.352261      0.250723    0.00  -0.000007068  -0.000003020   0.000008809
 H     -1.293531      3.084059     -0.995473    0.00  -0.000022717   0.000000004   0.000002038
 H      0.742998      1.992514     -0.077129    0.00  -0.000012791   0.000006239  -0.000017031
 H     -0.072937      2.904750      1.194757    0.00  -0.000001759   0.000004968  -0.000011673
 H     -2.716331     -0.233995      0.208445    0.00   0.000002055  -0.000004665   0.000011232
 H     -1.046694      0.874566      2.179519    0.00   0.000012376   0.000002852  -0.000003093
 H      0.681517      0.594243      1.946072    0.00   0.000008987   0.000008527  -0.000015713
 H     -0.744118      0.828141     -1.940379    0.00  -0.000024726   0.000003507  -0.000003451
 O     -0.970765     -1.548584      1.453768    0.00   0.000246712   0.000033465  -0.000040910
 C     -1.925121     -1.566531     -1.306808    0.00  -0.000090228  -0.000015156   0.000061785
 H     -2.044649     -2.469134     -0.688801    0.00   0.000002982  -0.000000471   0.000004796
 H     -2.794270     -1.498322     -1.968624    0.00  -0.000012288  -0.000005353   0.000015156
 H     -1.037376     -1.722458     -1.932116    0.00  -0.000014759   0.000003244  -0.000002037
 H     -0.178208     -2.011458      1.794627    0.00   0.000019631   0.000006962  -0.000008562
 O      0.472018     -1.007059     -0.247506    0.00  -0.000007578   0.000188160  -0.000244975
 O      1.726540     -0.710547      0.369624    0.00   0.000005811  -0.000199884  -0.000122642
 C      2.484015     -0.035937     -0.609460    0.00   0.000123142   0.000036365   0.000143428
 H      1.967104      0.106986     -1.557838    0.00   0.000019765   0.000026907   0.000025263
 O      3.593319      0.278742     -0.264304    0.00   0.000149452  -0.000239546   0.000349241
26
 Energy =      -0.203698059455
 C     -0.178840      2.020292      0.534769    0.00  -0.000062464   0.000053474  -0.000111110
 C     -1.409371      2.180139     -0.366463    0.00  -0.000161403   0.000007315   0.000020448
 C     -1.611832      0.948682     -1.256408    0.00  -0.000202011   0.000000110   0.000036396
 C     -1.794660     -0.328943     -0.420201    0.00  -0.000055042  -0.000009178   0.000050474
 C     -0.612374     -0.484058      0.572350    0.00   0.000043759   0.000038465  -0.000062089
 C     -0.266699      0.756846      1.393862    0.00   0.000066478   0.000058516  -0.000092060
 H     -2.496351      1.091658     -1.906395    0.00  -0.000021483  -0.000003532   0.000012305
 H     -2.311219      2.351483      0.253418    0.00  -0.000006970  -0.000003009   0.000008628
 H     -1.299820      3.084379     -0.995236    0.00  -0.000022337  -0.000000019   0.000002148
 H      0.739984      1.994309     -0.082120    0.00  -0.000012702   0.000006141  -0.000016513
 H     -0.073374      2.906231      1.191699    0.00  -0.000001912   0.000004900  -0.000011357
 H     -2.716263     -0.235326      0.211851    0.00   0.000002093  -0.000004632   0.000010880
 H     -1.043574      0.875331      2.178949    0.00   0.000011942   0.000002802  -0.000003056
 H      0.684344      0.596528      1.941983    0.00   0.000008593   0.000008444  -0.000015291
 H     -0.750465      0.829134     -1.941689    0.00  -0.000024234   0.000003499  -0.000003263
 O     -0.966497     -1.548029      1.453070    0.00   0.000241456   0.000032727  -0.000041513
 C     -1.927183     -1.566863     -1.305367    0.00  -0.000086291  -0.000014834   0.000059752
 H     -2.043864     -2.469678     -0.687115    0.00   0.000003121  -0.000000417   0.000004538
 H     -2.798179     -1.499737     -1.964859    0.00  -0.000011756  -0.000005289   0.000014785
 H     -1.040893     -1.721603     -1.933037    0.00  -0.000014310   0.000003241  -0.000001969
 H     -0.172621     -2.009729      1.792469    0.00   0.000019201   0.000007022  -0.000008264
 O      0.471784     -1.003843     -0.251890    0.00  -0.000006030   0.000185374  -0.000237289
 O      1.726660     -0.714075      0.367798    0.00   0.000005075  -0.000191413  -0.000119910
 C      2.486616     -0.035150     -0.606339    0.00   0.000121739   0.000032691   0.000139778
 H      1.970968      0.114938     -1.554284    0.00   0.000019605   0.000025665   0.000024764
 O      3.596332      0.274652     -0.258108    0.00   0.000145883  -0.000238063   0.000338788
26
 Energy =      -0.203721405321
 C     -0.180313      2.021584      0.532169    0.00  -0.000062745   0.000052750  -0.000107673
 C     -1.413244      2.180307     -0.365997    0.00  -0.000158806   0.000007179   0.000020862
 C     -1.616625      0.948713     -1.255542    0.00  -0.000197420   0.000000165   0.000036090
 C     -1.795967     -0.329188     -0.419018    0.00  -0.000053115  -0.000009052   0.000049023
 C     -0.611317     -0.483080      0.570933    0.00   0.000042603   0.000038040  -0.000060638
 C     -0.265147      0.758227      1.391696    0.00   0.000063484   0.000057743  -0.000089443
 H     -2.502919      1.090789     -1.903302    0.00  -0.000020915  -0.000003500   0.000012099
 H     -2.313725      2.350687      0.256130    0.00  -0.000006861  -0.000002996   0.000008442
 H     -1.306159      3.084704     -0.994965    0.00  -0.000021944  -0.000000045   0.000002254
 H      0.736921      1.996121     -0.087089    0.00  -0.000012600   0.000006040  -0.000015993
 H     -0.073864      2.907729      1.188654    0.00  -0.000002055   0.000004829  -0.000011038
 H     -2.716183     -0.236681      0.215244    0.00   0.000002130  -0.000004596   0.000010523
 H     -1.040495      0.876100      2.178373    0.00   0.000011517   0.000002750  -0.000003016
 H      0.687129      0.598846      1.937910    0.00   0.000008205   0.000008355  -0.000014870
 H     -0.756828      0.830150     -1.942981    0.00  -0.000023730   0.000003487  -0.000003077
 O     -0.962216     -1.547472      1.452346    0.00   0.000236047   0.000032034  -0.000041974
 C     -1.929202     -1.567196     -1.303940    0.00  -0.000082347  -0.000014505   0.000057688
 H     -2.043018     -2.470225     -0.685457    0.00   0.000003254  -0.000000362   0.000004280
 H     -2.802036     -1.501168     -1.961106    0.00  -0.000011221  -0.000005219   0.000014404
 H     -1.044369     -1.720725     -1.933964    0.00  -0.000013854   0.000003236  -0.000001899
 H     -0.167019     -2.007943      1.790340    0.00   0.000018754   0.000007065  -0.000007972
 O      0.471573     -1.000596     -0.256244    0.00  -0.000004547   0.000182387  -0.000229583
 O      1.726769     -0.717541      0.365969    0.00   0.000004391  -0.000183147  -0.000117106
 C      2.489246     -0.034428     -0.603227    0.00   0.000120180   0.000029186   0.000136093
 H      1.974906      0.122750     -1.550719    0.00   0.000019420   0.000024452   0.000024267
 O      3.599355      0.270486     -0.251944    0.00   0.000142176  -0.000236275   0.000328258
26
 Energy =      -0.203744156315
 C     -0.181830      2.022892      0.529585    0.00  -0.000062910   0.000051986  -0.000104235
 C     -1.417153      2.180476     -0.365509    0.00  -0.000156079   0.000007033   0.000021234
 C     -1.621428      0.948745     -1.254662    0.00  -0.000192728   0.000000211   0.000035738
 C     -1.797260     -0.329437     -0.417841    0.00  -0.000051185  -0.000008917   0.000047548
 C     -0.610261     -0.482089      0.569514    0.00   0.000041440   0.000037579  -0.000059157
 C     -0.263629      0.759625      1.389537    0.00   0.000060562   0.000056927  -0.000086815
 H     -2.509493      1.089908     -1.900190    0.00  -0.000020337  -0.000003467   0.000011887
 H     -2.316264      2.349874      0.258859    0.00  -0.000006744  -0.000002981   0.000008250
 H     -1.312547      3.085034     -0.994660    0.00  -0.000021536  -0.000000072   0.000002354
 H      0.733809      1.997951     -0.092036    0.00  -0.000012486   0.000005937  -0.000015470
 H     -0.074407      2.909244      1.185622    0.00  -0.000002190   0.000004754  -0.000010718
 H     -2.716091     -0.238062      0.218621    0.00   0.000002164  -0.000004556   0.000010162
 H     -1.037457      0.876873      2.177793    0.00   0.000011098   0.000002698  -0.000002973
 H      0.689874      0.601196      1.933853    0.00   0.000007823   0.000008258  -0.000014448
 H     -0.763205      0.831190     -1.944255    0.00  -0.000023216   0.000003470  -0.000002892
 O     -0.957925     -1.546914      1.451596    0.00   0.000230489   0.000031383  -0.000042291
 C     -1.931176     -1.567528     -1.302526    0.00  -0.000078403  -0.000014167   0.000055600
 H     -2.042111     -2.470776     -0.683828    0.00   0.000003379  -0.000000305   0.000004021
 H     -2.805838     -1.502614     -1.957367    0.00  -0.000010685  -0.000005146   0.000014014
 H     -1.047801     -1.719827     -1.934895    0.00  -0.000013395   0.000003227  -0.000001829
 H     -0.161403     -2.006099      1.788240    0.00   0.000018294   0.000007092  -0.000007690
 O      0.471383     -0.997319     -0.260568    0.00  -0.000003131   0.000179208  -0.000221864
 O      1.726868     -0.720946      0.364140    0.00   0.000003757  -0.000175085  -0.000114239
 C      2.491904     -0.033772     -0.600123    0.00   0.000118470   0.000025849   0.000132377
 H      1.978915      0.130426     -1.547144    0.00   0.000019211   0.000023267   0.000023773
 O      3.602386      0.266245     -0.245814    0.00   0.000138338  -0.000234182   0.000317664
26
 Energy =      -0.203766305741
 C     -0.183390      2.024215      0.527018    0.00  -0.000062962   0.000051181  -0.000100793
 C     -1.421097      2.180646     -0.365000    0.00  -0.000153226   0.000006879   0.000021555
 C     -1.626242      0.948781     -1.253767    0.00  -0.000187938   0.000000248   0.000035341
 C     -1.798540     -0.329689     -0.416669    0.00  -0.000049250  -0.000008771   0.000046054
 C     -0.609205     -0.481083      0.568093    0.00   0.000040270   0.000037082  -0.000057643
 C     -0.262142      0.761038      1.387387    0.00   0.000057710   0.000056066  -0.000084181
 H     -2.516073      1.089016     -1.897059    0.00  -0.000019748  -0.000003431   0.000011667
 H     -2.318837      2.349043      0.261606    0.00  -0.000006618  -0.000002963   0.000008053
 H     -1.318985      3.085367     -0.994319    0.00  -0.000021113  -0.000000101   0.000002449
 H      0.730649      1.999800     -0.096962    0.00  -0.000012360   0.000005832  -0.000014946
 H     -0.075005      2.910777      1.182604    0.00  -0.000002315   0.000004675  -0.000010395
 H     -2.715986     -0.239469      0.221982    0.00   0.000002196  -0.000004511   0.000009798
 H     -1.034458      0.877650      2.177208    0.00   0.000010688   0.000002644  -0.000002928
 H      0.692578      0.603578      1.929810    0.00   0.000007448   0.000008153  -0.000014028
 H     -0.769597      0.832253     -1.945512    0.00  -0.000022691   0.000003448  -0.000002709
 O     -0.953625     -1.546353      1.450821    0.00   0.000224792   0.000030772  -0.000042468
 C     -1.933105     -1.567861     -1.301127    0.00  -0.000074473  -0.000013822   0.000053492
 H     -2.041142     -2.471331     -0.682230    0.00   0.000003495  -0.000000248   0.000003762
 H     -2.809584     -1.504077     -1.953642    0.00  -0.000010149  -0.000005069   0.000013616
 H     -1.051188     -1.718906     -1.935832    0.00  -0.000012933   0.000003213  -0.000001757
 H     -0.155774     -2.004201      1.786168    0.00   0.000017819   0.000007103  -0.000007416
 O      0.471215     -0.994014     -0.264862    0.00  -0.000001781   0.000175840  -0.000214141
 O      1.726957     -0.724294      0.362311    0.00   0.000003169  -0.000167222  -0.000111314
 C      2.494587     -0.033179     -0.597030    0.00   0.000116616   0.000022677   0.000128633
 H      1.982991      0.137967     -1.543557    0.00   0.000018978   0.000022111   0.000023280
 O      3.605424      0.261930     -0.239719    0.00   0.000134376  -0.000231784   0.000307019
26
 Energy =       -0.20378784721
 C     -0.184994      2.025555      0.524468    0.00  -0.000062900   0.000050335  -0.000097354
 C     -1.425078      2.180816     -0.364468    0.00  -0.000150246   0.000006716   0.000021829
 C     -1.631066      0.948819     -1.252858    0.00  -0.000183053   0.000000276   0.000034898
 C     -1.799806     -0.329946     -0.415503    0.00  -0.000047310  -0.000008617   0.000044544
 C     -0.608149     -0.480063      0.566672    0.00   0.000039089   0.000036546  -0.000056105
 C     -0.260686      0.762469      1.385246    0.00   0.000054927   0.000055162  -0.000081540
 H     -2.522659      1.088112     -1.893909    0.00  -0.000019151  -0.000003393   0.000011439
 H     -2.321443      2.348194      0.264370    0.00  -0.000006482  -0.000002943   0.000007850
 H     -1.325473      3.085705     -0.993943    0.00  -0.000020676  -0.000000132   0.000002539
 H      0.727440      2.001667     -0.101866    0.00  -0.000012222   0.000005725  -0.000014419
 H     -0.075656      2.912328      1.179600    0.00  -0.000002431   0.000004591  -0.000010070
 H     -2.715868     -0.240903      0.225327    0.00   0.000002226  -0.000004462   0.000009432
 H     -1.031498      0.878430      2.176619    0.00   0.000010285   0.000002589  -0.000002880
 H      0.695243      0.605994      1.925783    0.00   0.000007080   0.000008040  -0.000013609
 H     -0.776003      0.833341     -1.946750    0.00  -0.000022155   0.000003421  -0.000002528
 O     -0.949316     -1.545788      1.450023    0.00   0.000218964   0.000030196  -0.000042508
 C     -1.934986     -1.568194     -1.299744    0.00  -0.000070565  -0.000013471   0.000051369
 H     -2.040110     -2.471889     -0.680663    0.00   0.000003601  -0.000000189   0.000003504
 H     -2.813272     -1.505555     -1.949934    0.00  -0.000009614  -0.000004987   0.000013211
 H     -1.054525     -1.717962     -1.936775    0.00  -0.000012468   0.000003197  -0.000001685
 H     -0.150134     -2.002248      1.784121    0.00   0.000017330   0.000007096  -0.000007149
 O      0.471069     -0.990681     -0.269125    0.00  -0.000000501   0.000172290  -0.000206420
 O      1.727036     -0.727585      0.360482    0.00   0.000002629  -0.000159558  -0.000108338
 C      2.497295     -0.032648     -0.593946    0.00   0.000114623   0.000019672   0.000124867
 H      1.987131      0.145377     -1.539962    0.00   0.000018723   0.000020983   0.000022790
 O      3.608469      0.257540     -0.233660    0.00   0.000130296  -0.000229083   0.000296335
26
 Energy =      -0.203808774577
 C     -0.186641      2.026912      0.521936    0.00  -0.000062723   0.000049447  -0.000093915
 C     -1.429094      2.180986     -0.363915    0.00  -0.000147143   0.000006545   0.000022053
 C     -1.635900      0.948859     -1.251935    0.00  -0.000178074   0.000000295   0.000034408
 C     -1.801057     -0.330206     -0.414343    0.00  -0.000045370  -0.000008453   0.000043018
 C     -0.607093     -0.479029      0.565249    0.00   0.000037900   0.000035978  -0.000054537
 C     -0.259261      0.763916      1.383112    0.00   0.000052215   0.000054212  -0.000078896
 H     -2.529250      1.087196     -1.890741    0.00  -0.000018545  -0.000003353   0.000011204
 H     -2.324083      2.347326      0.267151    0.00  -0.000006338  -0.000002920   0.000007642
 H     -1.332011      3.086048     -0.993532    0.00  -0.000020223  -0.000000165   0.000002622
 H      0.724183      2.003556     -0.106748    0.00  -0.000012072   0.000005615  -0.000013892
 H     -0.076362      2.913898      1.176610    0.00  -0.000002539   0.000004504  -0.000009744
 H     -2.715738     -0.242365      0.228653    0.00   0.000002254  -0.000004409   0.000009063
 H     -1.028576      0.879215      2.176026    0.00   0.000009891   0.000002533  -0.000002831
 H      0.697870      0.608442      1.921769    0.00   0.000006717   0.000007920  -0.000013190
 H     -0.782422      0.834453     -1.947971    0.00  -0.000021610   0.000003389  -0.000002349
 O     -0.944998     -1.545218      1.449202    0.00   0.000213012   0.000029649  -0.000042416
 C     -1.936818     -1.568527     -1.298377    0.00  -0.000066691  -0.000013113   0.000049236
 H     -2.039013     -2.472451     -0.679129    0.00   0.000003697  -0.000000129   0.000003248
 H     -2.816898     -1.507049     -1.946244    0.00  -0.000009082  -0.000004901   0.000012800
 H     -1.057813     -1.716996     -1.937723    0.00  -0.000012003   0.000003175  -0.000001611
 H     -0.144485     -2.000244      1.782099    0.00   0.000016829   0.000007073  -0.000006891
 O      0.470944     -0.987321     -0.273356    0.00   0.000000713   0.000168562  -0.000198708
 O      1.727107     -0.730821      0.358655    0.00   0.000002132  -0.000152090  -0.000105317
 C      2.500026     -0.032179     -0.590872    0.00   0.000112498   0.000016829   0.000121080
 H      1.991332      0.152659     -1.536356    0.00   0.000018447   0.000019882   0.000022302
 O      3.611520      0.253077     -0.227639    0.00   0.000126107  -0.000226078   0.000285621
26
 Energy =      -0.203829081987
 C     -0.188332      2.028285      0.519421    0.00  -0.000062434   0.000048517  -0.000090482
 C     -1.433145      2.181157     -0.363339    0.00  -0.000143915   0.000006368   0.000022226
 C     -1.640742      0.948902     -1.250998    0.00  -0.000173006   0.000000305   0.000033874
 C     -1.802292     -0.330470     -0.413189    0.00  -0.000043437  -0.000008279   0.000041481
 C     -0.606038     -0.477980      0.563826    0.00   0.000036706   0.000035368  -0.000052946
 C     -0.257866      0.765380      1.380987    0.00   0.000049574   0.000053217  -0.000076247
 H     -2.535844      1.086267     -1.887555    0.00  -0.000017929  -0.000003310   0.000010961
 H     -2.326756      2.346438      0.269950    0.00  -0.000006184  -0.000002895   0.000007427
 H     -1.338599      3.086394     -0.993085    0.00  -0.000019756  -0.000000200   0.000002700
 H      0.720878      2.005465     -0.111607    0.00  -0.000011910   0.000005503  -0.000013363
 H     -0.077123      2.915485      1.173635    0.00  -0.000002636   0.000004413  -0.000009417
 H     -2.715595     -0.243854      0.231961    0.00   0.000002280  -0.000004349   0.000008691
 H     -1.025691      0.880003      2.175431    0.00   0.000009504   0.000002475  -0.000002779
 H      0.700459      0.610923      1.917770    0.00   0.000006363   0.000007792  -0.000012773
 H     -0.788853      0.835590     -1.949174    0.00  -0.000021055   0.000003351  -0.000002172
 O     -0.940674     -1.544641      1.448360    0.00   0.000206940   0.000029127  -0.000042194
 C     -1.938599     -1.568860     -1.297028    0.00  -0.000062857  -0.000012746   0.000047098
 H     -2.037851     -2.473015     -0.677630    0.00   0.000003783  -0.000000068   0.000002994
 H     -2.820461     -1.508559     -1.942575    0.00  -0.000008552  -0.000004810   0.000012382
 H     -1.061049     -1.716007     -1.938676    0.00  -0.000011538   0.000003149  -0.000001537
 H     -0.138827     -1.998190      1.780099    0.00   0.000016317   0.000007034  -0.000006640
 O      0.470841     -0.983937     -0.277556    0.00   0.000001857   0.000164665  -0.000191014
 O      1.727169     -0.734003      0.356829    0.00   0.000001678  -0.000144814  -0.000102256
 C      2.502779     -0.031772     -0.587808    0.00   0.000110246   0.000014149   0.000117276
 H      1.995592      0.159815     -1.532741    0.00   0.000018151   0.000018808   0.000021816
 O      3.614575      0.248541     -0.221655    0.00   0.000121814  -0.000222771   0.000274891
26
 Energy =       -0.20384876383
 C     -0.190066      2.029675      0.516923    0.00  -0.000062032   0.000047547  -0.000087053
 C     -1.437232      2.181327     -0.362741    0.00  -0.000140565   0.000006181   0.000022347
 C     -1.645593      0.948947     -1.250048    0.00  -0.000167852   0.000000306   0.000033294
 C     -1.803512     -0.330737     -0.412043    0.00  -0.000041507  -0.000008094   0.000039934
 C     -0.604983     -0.476917      0.562403    0.00   0.000035500   0.000034727  -0.000051329
 C     -0.256501      0.766861      1.378870    0.00   0.000047003   0.000052174  -0.000073599
 H     -2.542443      1.085326     -1.884351    0.00  -0.000017306  -0.000003266   0.000010711
 H     -2.329463      2.345530      0.272767    0.00  -0.000006022  -0.000002866   0.000007207
 H     -1.345237      3.086744     -0.992601    0.00  -0.000019276  -0.000000237   0.000002772
 H      0.717524      2.007397     -0.116443    0.00  -0.000011736   0.000005388  -0.000012833
 H     -0.077939      2.917091      1.170675    0.00  -0.000002725   0.000004317  -0.000009087
 H     -2.715439     -0.245371      0.235249    0.00   0.000002303  -0.000004285   0.000008319
 H     -1.022841      0.880796      2.174834    0.00   0.000009125   0.000002417  -0.000002726
 H      0.703011      0.613437      1.913783    0.00   0.000006013   0.000007657  -0.000012356
 H     -0.795297      0.836750     -1.950359    0.00  -0.000020489   0.000003308  -0.000001997
 O     -0.936343     -1.544058      1.447498    0.00   0.000200760   0.000028622  -0.000041851
 C     -1.940329     -1.569192     -1.295696    0.00  -0.000059075  -0.000012375   0.000044958
 H     -2.036624     -2.473584     -0.676165    0.00   0.000003857  -0.000000005   0.000002744
 H     -2.823960     -1.510085     -1.938928    0.00  -0.000008028  -0.000004715   0.000011961
 H     -1.064230     -1.714994     -1.939636    0.00  -0.000011073   0.000003119  -0.000001461
 H     -0.133162     -1.996087      1.778120    0.00   0.000015792   0.000006979  -0.000006395
 O      0.470759     -0.980528     -0.281724    0.00   0.000002933   0.000160600  -0.000183342
 O      1.727222     -0.737133      0.355005    0.00   0.000001263  -0.000137723  -0.000099161
 C      2.505553     -0.031424     -0.584755    0.00   0.000107876   0.000011626   0.000113459
 H      1.999907      0.166849     -1.529117    0.00   0.000017835   0.000017760   0.000021331
 O      3.617633      0.243933     -0.215710    0.00   0.000117424  -0.000219163   0.000264154
26
 Energy =      -0.203867814745
 C     -0.191844      2.031082      0.514444    0.00  -0.000061517   0.000046533  -0.000083631
 C     -1.441355      2.181498     -0.362120    0.00  -0.000137095   0.000005987   0.000022415
 C     -1.650452      0.948994     -1.249084    0.00  -0.000162615   0.000000297   0.000032668
 C     -1.804716     -0.331009     -0.410904    0.00  -0.000039589  -0.000007900   0.000038379
 C     -0.603928     -0.475839      0.560980    0.00   0.000034294   0.000034041  -0.000049693
 C     -0.255165      0.768360      1.376761    0.00   0.000044502   0.000051086  -0.000070949
 H     -2.549043      1.084373     -1.881130    0.00  -0.000016675  -0.000003218   0.000010453
 H     -2.332203      2.344601      0.275601    0.00  -0.000005851  -0.000002834   0.000006982
 H     -1.351926      3.087098     -0.992082    0.00  -0.000018779  -0.000000275   0.000002838
 H      0.714123      2.009352     -0.121256    0.00  -0.000011549   0.000005271  -0.000012303
 H     -0.078812      2.918715      1.167732    0.00  -0.000002803   0.000004218  -0.000008757
 H     -2.715270     -0.246917      0.238517    0.00   0.000002324  -0.000004215   0.000007946
 H     -1.020027      0.881593      2.174234    0.00   0.000008754   0.000002357  -0.000002671
 H      0.705527      0.615984      1.909810    0.00   0.000005671   0.000007514  -0.000011942
 H     -0.801752      0.837935     -1.951527    0.00  -0.000019914   0.000003260  -0.000001824
 O     -0.932006     -1.543466      1.446616    0.00   0.000194473   0.000028136  -0.000041387
 C     -1.942005     -1.569524     -1.294384    0.00  -0.000055352  -0.000011996   0.000042823
 H     -2.035329     -2.474155     -0.674736    0.00   0.000003920   0.000000059   0.000002496
 H     -2.827392     -1.511628     -1.935305    0.00  -0.000007509  -0.000004615   0.000011535
 H     -1.067355     -1.713958     -1.940601    0.00  -0.000010612   0.000003084  -0.000001384
 H     -0.127491     -1.993938      1.776160    0.00   0.000015259   0.000006907  -0.000006159
 O      0.470697     -0.977095     -0.285860    0.00   0.000003937   0.000156379  -0.000175698
 O      1.727267     -0.740213      0.353185    0.00   0.000000883  -0.000130819  -0.000096031
 C      2.508347     -0.031135     -0.581713    0.00   0.000105398   0.000009266   0.000109628
 H      2.004276      0.173763     -1.525485    0.00   0.000017500   0.000016736   0.000020848
 O      3.620695      0.239252     -0.209805    0.00   0.000112946  -0.000215258   0.000253418
26
 Energy =      -0.203886229599
 C     -0.193665      2.032507      0.511983    0.00  -0.000060889   0.000045475  -0.000080220
 C     -1.445512      2.181668     -0.361477    0.00  -0.000133504   0.000005789   0.000022429
 C     -1.655318      0.949044     -1.248106    0.00  -0.000157296   0.000000279   0.000031998
 C     -1.805903     -0.331285     -0.409773    0.00  -0.000037681  -0.000007693   0.000036819
 C     -0.602874     -0.474746      0.559557    0.00   0.000033082   0.000033316  -0.000048041
 C     -0.253858      0.769876      1.374661    0.00   0.000042072   0.000049954  -0.000068297
 H     -2.555646      1.083406     -1.877893    0.00  -0.000016036  -0.000003169   0.000010189
 H     -2.334977      2.343652      0.278453    0.00  -0.000005672  -0.000002800   0.000006751
 H     -1.358666      3.087456     -0.991525    0.00  -0.000018270  -0.000000315   0.000002897
 H      0.710673      2.011332     -0.126045    0.00  -0.000011352   0.000005151  -0.000011772
 H     -0.079742      2.920359      1.164805    0.00  -0.000002872   0.000004114  -0.000008426
 H     -2.715087     -0.248492      0.241764    0.00   0.000002342  -0.000004139   0.000007571
 H     -1.017246      0.882394      2.173634    0.00   0.000008390   0.000002295  -0.000002614
 H      0.708008      0.618565      1.905848    0.00   0.000005335   0.000007362  -0.000011528
 H     -0.808217      0.839145     -1.952675    0.00  -0.000019329   0.000003206  -0.000001653
 O     -0.927665     -1.542865      1.445715    0.00   0.000188084   0.000027657  -0.000040808
 C     -1.943627     -1.569856     -1.293092    0.00  -0.000051696  -0.000011610   0.000040695
 H     -2.033967     -2.474728     -0.673345    0.00   0.000003970   0.000000123   0.000002253
 H     -2.830754     -1.513185     -1.931708    0.00  -0.000006997  -0.000004512   0.000011105
 H     -1.070423     -1.712898     -1.941572    0.00  -0.000010153   0.000003044  -0.000001306
 H     -0.121815     -1.991743      1.774219    0.00   0.000014718   0.000006820  -0.000005927
 O      0.470656     -0.973641     -0.289962    0.00   0.000004879   0.000152006  -0.000168083
 O      1.727305     -0.743244      0.351368    0.00   0.000000537  -0.000124091  -0.000092881
 C      2.511158     -0.030905     -0.578682    0.00   0.000102817   0.000007057   0.000105788
 H      2.008695      0.180560     -1.521844    0.00   0.000017147   0.000015739   0.000020364
 O      3.623758      0.234501     -0.203941    0.00   0.000108375  -0.000211058   0.000242697
26
 Energy =      -0.203904003499
 C     -0.195530      2.033949      0.509541    0.00  -0.000060149   0.000044373  -0.000076818
 C     -1.449705      2.181838     -0.360812    0.00  -0.000129796   0.000005583   0.000022388
 C     -1.660190      0.949095     -1.247115    0.00  -0.000151902   0.000000252   0.000031285
 C     -1.807074     -0.331564     -0.408649    0.00  -0.000035792  -0.000007476   0.000035253
 C     -0.601819     -0.473638      0.558134    0.00   0.000031861   0.000032556  -0.000046363
 C     -0.252580      0.771409      1.372568    0.00   0.000039709   0.000048770  -0.000065650
 H     -2.562249      1.082426     -1.874639    0.00  -0.000015390  -0.000003117   0.000009917
 H     -2.337784      2.342680      0.281323    0.00  -0.000005484  -0.000002762   0.000006514
 H     -1.365456      3.087817     -0.990932    0.00  -0.000017745  -0.000000358   0.000002949
 H      0.707176      2.013338     -0.130809    0.00  -0.000011142   0.000005027  -0.000011241
 H     -0.080729      2.922021      1.161895    0.00  -0.000002932   0.000004006  -0.000008094
 H     -2.714891     -0.250096      0.244989    0.00   0.000002358  -0.000004057   0.000007198
 H     -1.014499      0.883199      2.173032    0.00   0.000008035   0.000002232  -0.000002556
 H      0.710454      0.621179      1.901899    0.00   0.000005005   0.000007203  -0.000011116
 H     -0.814692      0.840379     -1.953806    0.00  -0.000018736   0.000003147  -0.000001484
 O     -0.923319     -1.542254      1.444798    0.00   0.000181605   0.000027181  -0.000040121
 C     -1.945194     -1.570187     -1.291820    0.00  -0.000048115  -0.000011219   0.000038579
 H     -2.032538     -2.475305     -0.671991    0.00   0.000004008   0.000000189   0.000002013
 H     -2.834047     -1.514759     -1.928137    0.00  -0.000006492  -0.000004403   0.000010674
 H     -1.073431     -1.711814     -1.942549    0.00  -0.000009698   0.000002999  -0.000001227
 H     -0.116136     -1.989506      1.772293    0.00   0.000014166   0.000006719  -0.000005701
 O      0.470636     -0.970165     -0.294032    0.00   0.000005748   0.000147487  -0.000160514
 O      1.727336     -0.746227      0.349555    0.00   0.000000233  -0.000117534  -0.000089706
 C      2.513987     -0.030733     -0.575662    0.00   0.000100125   0.000004999   0.000101942
 H      2.013162      0.187241     -1.518194    0.00   0.000016778   0.000014764   0.000019883
 O      3.626822      0.229678     -0.198119    0.00   0.000103740  -0.000206562   0.000231997
26
 Energy =      -0.203921131761
 C     -0.197439      2.035410      0.507117    0.00  -0.000059295   0.000043226  -0.000073430
 C     -1.453933      2.182007     -0.360123    0.00  -0.000125970   0.000005372   0.000022294
 C     -1.665069      0.949148     -1.246112    0.00  -0.000146434   0.000000217   0.000030526
 C     -1.808226     -0.331848     -0.407535    0.00  -0.000033917  -0.000007247   0.000033688
 C     -0.600764     -0.472515      0.556712    0.00   0.000030631   0.000031754  -0.000044670
 C     -0.251329      0.772960      1.370484    0.00   0.000037415   0.000047540  -0.000063003
 H     -2.568852      1.081431     -1.871370    0.00  -0.000014738  -0.000003063   0.000009637
 H     -2.340624      2.341687      0.284209    0.00  -0.000005288  -0.000002720   0.000006272
 H     -1.372297      3.088181     -0.990302    0.00  -0.000017207  -0.000000402   0.000002994
 H      0.703631      2.015370     -0.135548    0.00  -0.000010921   0.000004900  -0.000010710
 H     -0.081776      2.923703      1.159003    0.00  -0.000002981   0.000003893  -0.000007761
 H     -2.714682     -0.251729      0.248191    0.00   0.000002372  -0.000003969   0.000006823
 H     -1.011784      0.884008      2.172430    0.00   0.000007686   0.000002168  -0.000002497
 H      0.712867      0.623827      1.897960    0.00   0.000004682   0.000007036  -0.000010706
 H     -0.821176      0.841638     -1.954918    0.00  -0.000018134   0.000003081  -0.000001319
 O     -0.918970     -1.541632      1.443865    0.00   0.000175036   0.000026705  -0.000039330
 C     -1.946703     -1.570517     -1.290570    0.00  -0.000044616  -0.000010823   0.000036477
 H     -2.031040     -2.475884     -0.670676    0.00   0.000004033   0.000000256   0.000001779
 H     -2.837267     -1.516348     -1.924595    0.00  -0.000005995  -0.000004290   0.000010240
 H     -1.076377     -1.710706     -1.943532    0.00  -0.000009248   0.000002950  -0.000001146
 H     -0.110456     -1.987226      1.770383    0.00   0.000013609   0.000006604  -0.000005480
 O      0.470636     -0.966669     -0.298068    0.00   0.000006550   0.000142828  -0.000152991
 O      1.727359     -0.749164      0.347746    0.00  -0.000000037  -0.000111143  -0.000086509
 C      2.516832     -0.030617     -0.572654    0.00   0.000097340   0.000003088   0.000098088
 H      2.017674      0.193809     -1.514537    0.00   0.000016393   0.000013813   0.000019403
 O      3.629887      0.224785     -0.192339    0.00   0.000099035  -0.000201773   0.000221329
26
 Energy =       -0.20376392281
 C      2.465531     -1.208896     -0.485467    0.00  -0.000054569  -0.000029289  -0.000046826
 C      3.052307      0.205140     -0.387104    0.00  -0.000002668  -0.000049443  -0.000073826
 C      1.956368      1.267763     -0.534586    0.00   0.000028206  -0.000012789  -0.000020707
 C      0.887837      1.114723      0.562660    0.00   0.000066272   0.000021303   0.000020671
 C      0.308187     -0.314713      0.504653    0.00   0.000024401   0.000035186   0.000048561
 C      1.354944     -1.438152      0.543410    0.00  -0.000005874   0.000008997   0.000009265
 H      2.396726      2.280906     -0.491119    0.00   0.000004855  -0.000003536  -0.000003090
 H      3.580102      0.332096      0.577511    0.00   0.000002673  -0.000006320  -0.000010115
 H      3.819271      0.347043     -1.172570    0.00  -0.000004418  -0.000006111  -0.000007903
 H      2.060997     -1.373420     -1.505752    0.00  -0.000008464  -0.000000284   0.000000370
 H      3.262971     -1.963356     -0.345872    0.00  -0.000007953  -0.000003503  -0.000007485
 H      1.384548      1.218491      1.562823    0.00   0.000008190   0.000000682  -0.000001059
 H      1.764995     -1.491148      1.572758    0.00   0.000003054   0.000000541  -0.000002981
 H      0.857942     -2.414533      0.370489    0.00  -0.000002569   0.000003479   0.000004044
 H      1.477297      1.183322     -1.531835    0.00  -0.000000524   0.000000891   0.000001585
 O     -0.599476     -0.570383      1.572294    0.00   0.000085016   0.000102243   0.000123406
 C     -0.190312      2.188248      0.441950    0.00   0.000089971   0.000050461   0.000055098
 H     -0.970059      2.078719      1.204581    0.00   0.000013215   0.000007318   0.000006255
 H      0.233186      3.193605      0.548192    0.00   0.000009479   0.000001611   0.000000789
 H     -0.692818      2.149214     -0.538249    0.00   0.000004233   0.000003904   0.000008684
 H     -1.103205      0.235456      1.825143    0.00   0.000003517  -0.000011398  -0.000006887
 O     -0.423199     -0.646357     -0.716348    0.00  -0.000044212   0.000104045   0.000093249
 O     -1.591072      0.154878     -0.797405    0.00  -0.000101957   0.000036175   0.000242781
 C     -2.678602     -0.642393     -0.373721    0.00  -0.000030375  -0.000055758  -0.000162881
 H     -2.409499     -1.656482     -0.080828    0.00   0.000002780   0.000013929  -0.000038420
 O     -3.742030     -0.076800     -0.388170    0.00  -0.000082279  -0.000212333  -0.000232580
26
 Energy =      -0.203738258145
 C      2.468210     -1.207426     -0.482998    0.00  -0.000058207  -0.000030987  -0.000053158
 C      3.052341      0.207621     -0.383409    0.00  -0.000001303  -0.000053184  -0.000078865
 C      1.954926      1.268344     -0.533550    0.00   0.000032294  -0.000013003  -0.000021127
 C      0.884491      1.113614      0.561584    0.00   0.000072074   0.000023121   0.000022644
 C      0.307051     -0.316605      0.502036    0.00   0.000026743   0.000038021   0.000053572
 C      1.355312     -1.438564      0.542969    0.00  -0.000006148   0.000009143   0.000007647
 H      2.393416      2.282267     -0.489445    0.00   0.000005507  -0.000003644  -0.000003068
 H      3.577704      0.335584      0.582397    0.00   0.000003071  -0.000006890  -0.000010542
 H      3.820878      0.350743     -1.167118    0.00  -0.000004302  -0.000006497  -0.000008579
 H      2.066629     -1.372811     -1.504317    0.00  -0.000009188  -0.000000120  -0.000000038
 H      3.266587     -1.960492     -0.341214    0.00  -0.000008482  -0.000003831  -0.000008484
 H      1.379302      1.217854      1.562655    0.00   0.000008902   0.000000811  -0.000000885
 H      1.762819     -1.491468      1.573313    0.00   0.000003384   0.000000375  -0.000003231
 H      0.860114     -2.415585      0.368341    0.00  -0.000002926   0.000003548   0.000003983
 H      1.478052      1.182814     -1.531763    0.00  -0.000000422   0.000001121   0.000001562
 O     -0.603092     -0.573626      1.567658    0.00   0.000098167   0.000108382   0.000137575
 C     -0.194869      2.185726      0.439229    0.00   0.000097602   0.000054372   0.000058452
 H     -0.976547      2.074323      1.199613    0.00   0.000013827   0.000007853   0.000006882
 H      0.226915      3.191579      0.547548    0.00   0.000010378   0.000001976   0.000000918
 H     -0.694847      2.146957     -0.542297    0.00   0.000004588   0.000004213   0.000008916
 H     -1.100624      0.233833      1.827262    0.00   0.000003125  -0.000010813  -0.000006800
 O     -0.421788     -0.649944     -0.719852    0.00  -0.000048925   0.000108824   0.000104317
 O     -1.588951      0.151463     -0.805624    0.00  -0.000104631   0.000049338   0.000256420
 C     -2.676010     -0.638048     -0.366269    0.00  -0.000040992  -0.000060801  -0.000169671
 H     -2.407948     -1.649738     -0.064151    0.00   0.000002173   0.000009487  -0.000038011
 O     -3.737709     -0.069136     -0.379272    0.00  -0.000096307  -0.000230815  -0.000260428
26
 Energy =      -0.203710392673
 C      2.470837     -1.206004     -0.480425    0.00  -0.000061538  -0.000032398  -0.000060474
 C      3.052296      0.210073     -0.379792    0.00   0.000000757  -0.000056933  -0.000083376
 C      1.953398      1.268880     -0.532590    0.00   0.000037326  -0.000012936  -0.000021013
 C      0.881141      1.112507      0.560508    0.00   0.000078217   0.000025020   0.000024597
 C      0.305892     -0.318483      0.499408    0.00   0.000029376   0.000040891   0.000058828
 C      1.355651     -1.438941      0.542662    0.00  -0.000006315   0.000009044   0.000004859
 H      2.390017      2.283584     -0.487942    0.00   0.000006262  -0.000003729  -0.000002940
 H      3.575305      0.339131      0.587143    0.00   0.000003487  -0.000007525  -0.000010859
 H      3.822330      0.354357     -1.161822    0.00  -0.000004045  -0.000006848  -0.000009184
 H      2.072204     -1.372373     -1.502747    0.00  -0.000009890   0.000000156  -0.000000560
 H      3.270162     -1.957639     -0.336371    0.00  -0.000009008  -0.000004161  -0.000009632
 H      1.374113      1.217196      1.562452    0.00   0.000009617   0.000000967  -0.000000670
 H      1.760625     -1.491630      1.573996    0.00   0.000003726   0.000000091  -0.000003569
 H      0.862281     -2.416626      0.366450    0.00  -0.000003313   0.000003608   0.000003735
 H      1.478658      1.182201     -1.531724    0.00  -0.000000209   0.000001423   0.000001537
 O     -0.606882     -0.576823      1.562871    0.00   0.000113884   0.000114364   0.000153759
 C     -0.199414      2.183225      0.436589    0.00   0.000105634   0.000058372   0.000061039
 H     -0.982938      2.069983      1.194805    0.00   0.000014463   0.000008436   0.000007424
 H      0.220683      3.189563      0.546919    0.00   0.000011305   0.000002337   0.000000948
 H     -0.696962      2.144718     -0.546204    0.00   0.000004994   0.000004493   0.000009075
 H     -1.098248      0.232159      1.829167    0.00   0.000002779  -0.000010117  -0.000006539
 O     -0.420288     -0.653425     -0.723472    0.00  -0.000054951   0.000113156   0.000117091
 O     -1.586840      0.148026     -0.813691    0.00  -0.000107967   0.000062916   0.000270531
 C     -2.673279     -0.633813     -0.359120    0.00  -0.000053567  -0.000065101  -0.000175440
 H     -2.406235     -1.643262     -0.048617    0.00   0.000001366   0.000005213  -0.000037108
 O     -3.733174     -0.061455     -0.370092    0.00  -0.000112390  -0.000250742  -0.000292060
26
 Energy =      -0.203680139656
 C      2.473391     -1.204647     -0.477738    0.00  -0.000064438  -0.000033439  -0.000068892
 C      3.052153      0.212484     -0.376290    0.00   0.000003656  -0.000060658  -0.000087168
 C      1.951767      1.269363     -0.531725    0.00   0.000043463  -0.000012526  -0.000020252
 C      0.877791      1.111406      0.559441    0.00   0.000084743   0.000026995   0.000026500
 C      0.304707     -0.320342      0.496780    0.00   0.000032343   0.000043800   0.000064311
 C      1.355958     -1.439274      0.542525    0.00  -0.000006364   0.000008650   0.000000653
 H      2.386513      2.284848     -0.486650    0.00   0.000007127  -0.000003789  -0.000002684
 H      3.572918      0.342743      0.591693    0.00   0.000003914  -0.000008232  -0.000011052
 H      3.823585      0.357857     -1.156744    0.00  -0.000003633  -0.000007158  -0.000009678
 H      2.077683     -1.372143     -1.501020    0.00  -0.000010553   0.000000565  -0.000001209
 H      3.273678     -1.954808     -0.331331    0.00  -0.000009518  -0.000004493  -0.000010937
 H      1.369010      1.216513      1.562212    0.00   0.000010327   0.000001148  -0.000000418
 H      1.758425     -1.491591      1.574840    0.00   0.000004070  -0.000000338  -0.000004023
 H      0.864437     -2.417655      0.364890    0.00  -0.000003728   0.000003670   0.000003259
 H      1.479068      1.181465     -1.531726    0.00   0.000000142   0.000001804   0.000001520
 O     -0.610876     -0.579957      1.557916    0.00   0.000132489   0.000120111   0.000172174
 C     -0.203938      2.180757      0.434070    0.00   0.000114139   0.000062482   0.000062723
 H     -0.989218      2.065689      1.190199    0.00   0.000015155   0.000009092   0.000007869
 H      0.214502      3.187564      0.546365    0.00   0.000012271   0.000002686   0.000000838
 H     -0.699163      2.142526     -0.549931    0.00   0.000005454   0.000004728   0.000009170
 H     -1.096128      0.230455      1.830811    0.00   0.000002502  -0.000009287  -0.000006066
 O     -0.418678     -0.656780     -0.727220    0.00  -0.000062509   0.000116946   0.000131717
 O     -1.584721      0.144586     -0.821603    0.00  -0.000112156   0.000076763   0.000285140
 C     -2.670396     -0.629723     -0.352316    0.00  -0.000068356  -0.000068483  -0.000179872
 H     -2.404359     -1.637144     -0.034356    0.00   0.000000331   0.000001275  -0.000035658
 O     -3.728394     -0.053774     -0.360607    0.00  -0.000130873  -0.000272314  -0.000327967
26
 Energy =      -0.203647278889
 C      2.475847     -1.203367     -0.474930    0.00  -0.000066776  -0.000034031  -0.000078476
 C      3.051893      0.214843     -0.372939    0.00   0.000007533  -0.000064313  -0.000090050
 C      1.950013      1.269785     -0.530973    0.00   0.000050849  -0.000011727  -0.000018741
 C      0.874447      1.110313      0.558390    0.00   0.000091703   0.000029058   0.000028328
 C      0.303494     -0.322176      0.494163    0.00   0.000035663   0.000046756   0.000069958
 C      1.356228     -1.439556      0.542593    0.00  -0.000006260   0.000007905  -0.000005228
 H      2.382894      2.286047     -0.485604    0.00   0.000008112  -0.000003822  -0.000002286
 H      3.570556      0.346423      0.595992    0.00   0.000004343  -0.000009023  -0.000011106
 H      3.824598      0.361214     -1.151952    0.00  -0.000003052  -0.000007418  -0.000010024
 H      2.083022     -1.372160     -1.499116    0.00  -0.000011156   0.000001128  -0.000001995
 H      3.277112     -1.952009     -0.326087    0.00  -0.000009997  -0.000004830  -0.000012410
 H      1.364019      1.215804      1.561932    0.00   0.000011027   0.000001352  -0.000000133
 H      1.756230     -1.491310      1.575873    0.00   0.000004411  -0.000000939  -0.000004616
 H      0.866577     -2.418670      0.363733    0.00  -0.000004167   0.000003740   0.000002513
 H      1.479241      1.180591     -1.531775    0.00   0.000000652   0.000002276   0.000001521
 O     -0.615099     -0.583015      1.552783    0.00   0.000154225   0.000125542   0.000192989
 C     -0.208434      2.178327      0.431705    0.00   0.000123220   0.000066732   0.000063425
 H     -0.995385      2.061427      1.185825    0.00   0.000015949   0.000009857   0.000008216
 H      0.208377      3.185586      0.545950    0.00   0.000013285   0.000003012   0.000000537
 H     -0.701442      2.140416     -0.553444    0.00   0.000005960   0.000004899   0.000009226
 H     -1.094317      0.228736      1.832147    0.00   0.000002329  -0.000008299  -0.000005352
 O     -0.416937     -0.659989     -0.731103    0.00  -0.000071802   0.000120109   0.000148309
 O     -1.582577      0.141167     -0.829350    0.00  -0.000117426   0.000090622   0.000300201
 C     -2.667347     -0.625811     -0.345899    0.00  -0.000085543  -0.000070766  -0.000182586
 H     -2.402327     -1.631473     -0.021500    0.00  -0.000000957  -0.000002130  -0.000033614
 O     -3.723343     -0.046111     -0.350798    0.00  -0.000152124  -0.000295692  -0.000368606
26
 Energy =      -0.203611554336
 C      2.478183     -1.202178     -0.471999    0.00  -0.000068402  -0.000034090  -0.000089267
 C      3.051500      0.217136     -0.369775    0.00   0.000012526  -0.000067836  -0.000091833
 C      1.948122      1.270137     -0.530350    0.00   0.000059605  -0.000010491  -0.000016387
 C      0.871117      1.109234      0.557364    0.00   0.000099158   0.000031198   0.000030059
 C      0.302252     -0.323979      0.491570    0.00   0.000039347   0.000049782   0.000075688
 C      1.356456     -1.439778      0.542898    0.00  -0.000005984   0.000006756  -0.000013021
 H      2.379151      2.287172     -0.484835    0.00   0.000009222  -0.000003825  -0.000001735
 H      3.568233      0.350169      0.599987    0.00   0.000004766  -0.000009901  -0.000011006
 H      3.825333      0.364399     -1.147506    0.00  -0.000002294  -0.000007618  -0.000010178
 H      2.088173     -1.372452     -1.497023    0.00  -0.000011672   0.000001859  -0.000002926
 H      3.280442     -1.949254     -0.320642    0.00  -0.000010429  -0.000005172  -0.000014049
 H      1.359166      1.215072      1.561613    0.00   0.000011713   0.000001568   0.000000175
 H      1.754058     -1.490747      1.577121    0.00   0.000004739  -0.000001736  -0.000005374
 H      0.868696     -2.419668      0.363050    0.00  -0.000004623   0.000003834   0.000001453
 H      1.479139      1.179568     -1.531876    0.00   0.000001346   0.000002845   0.000001550
 O     -0.619566     -0.585981      1.547468    0.00   0.000179230   0.000130598   0.000216283
 C     -0.212898      2.175944      0.429522    0.00   0.000132992   0.000071183   0.000063143
 H     -1.001447      2.057173      1.181696    0.00   0.000016908   0.000010780   0.000008483
 H      0.202309      3.183632      0.545745    0.00   0.000014364   0.000003302  -0.000000017
 H     -0.703780      2.138426     -0.556724    0.00   0.000006493   0.000004980   0.000009284
 H     -1.092867      0.227018      1.833130    0.00   0.000002304  -0.000007132  -0.000004362
 O     -0.415050     -0.663034     -0.735124    0.00  -0.000083010   0.000122540   0.000166884
 O     -1.580391      0.137797     -0.836920    0.00  -0.000124029   0.000104136   0.000315605
 C     -2.664126     -0.622113     -0.339915    0.00  -0.000105228  -0.000071772  -0.000183142
 H     -2.400156     -1.626338     -0.010184    0.00  -0.000002506  -0.000004779  -0.000030926
 O     -3.717997     -0.038486     -0.340657    0.00  -0.000176537  -0.000321009  -0.000414384
26
 Energy =      -0.203572673813
 C      2.480374     -1.201093     -0.468948    0.00  -0.000069146  -0.000033543  -0.000101257
 C      3.050961      0.219350     -0.366830    0.00   0.000018766  -0.000071151  -0.000092321
 C      1.946084      1.270414     -0.529869    0.00   0.000069844  -0.000008777  -0.000013140
 C      0.867805      1.108172      0.556371    0.00   0.000107161   0.000033394   0.000031679
 C      0.300983     -0.325745      0.489017    0.00   0.000043398   0.000052900   0.000081380
 C      1.356642     -1.439935      0.543465    0.00  -0.000005532   0.000005175  -0.000022959
 H      2.375282      2.288214     -0.484365    0.00   0.000010461  -0.000003793  -0.000001021
 H      3.565964      0.353976      0.603631    0.00   0.000005174  -0.000010865  -0.000010743
 H      3.825757      0.367388     -1.143463    0.00  -0.000001350  -0.000007748  -0.000010099
 H      2.093087     -1.373043     -1.494731    0.00  -0.000012074   0.000002776  -0.000004010
 H      3.283646     -1.946555     -0.315008    0.00  -0.000010793  -0.000005521  -0.000015839
 H      1.354470      1.214325      1.561254    0.00   0.000012388   0.000001785   0.000000498
 H      1.751925     -1.489872      1.578603    0.00   0.000005039  -0.000002754  -0.000006322
 H      0.870786     -2.420648      0.362898    0.00  -0.000005088   0.000003961   0.000000040
 H      1.478732      1.178390     -1.532034    0.00   0.000002238   0.000003510   0.000001617
 O     -0.624280     -0.588844      1.541977    0.00   0.000207495   0.000135259   0.000242035
 C     -0.217327      2.173609      0.427541    0.00   0.000143606   0.000075925   0.000061984
 H     -1.007423      2.052889      1.177800    0.00   0.000018111   0.000011926   0.000008714
 H      0.196292      3.181704      0.545824    0.00   0.000015538   0.000003540  -0.000000898
 H     -0.706146      2.136596     -0.559770    0.00   0.000007018   0.000004939   0.000009401
 H     -1.091830      0.225314      1.833717    0.00   0.000002480  -0.000005775  -0.000003064
 O     -0.413005     -0.665898     -0.739276    0.00  -0.000096247   0.000124131   0.000187363
 O     -1.578145      0.134506     -0.844293    0.00  -0.000132261   0.000116818   0.000331161
 C     -2.660735     -0.618660     -0.334411    0.00  -0.000127420  -0.000071339  -0.000181023
 H     -2.397872     -1.621824     -0.000541    0.00  -0.000004308  -0.000006443  -0.000027526
 O     -3.712338     -0.030921     -0.330185    0.00  -0.000204499  -0.000348331  -0.000465648
26
 Energy =      -0.203530310836
 C      2.482399     -1.200121     -0.465786    0.00  -0.000068841  -0.000032312  -0.000114382
 C      3.050265      0.221471     -0.364134    0.00   0.000026383  -0.000074163  -0.000091342
 C      1.943892      1.270611     -0.529537    0.00   0.000081654  -0.000006550  -0.000008946
 C      0.864516      1.107133      0.555415    0.00   0.000115801   0.000035632   0.000033183
 C      0.299688     -0.327469      0.486522    0.00   0.000047788   0.000056168   0.000086861
 C      1.356783     -1.440022      0.544315    0.00  -0.000004878   0.000003113  -0.000035245
 H      2.371289      2.289165     -0.484207    0.00   0.000011828  -0.000003724  -0.000000144
 H      3.563759      0.357832      0.606883    0.00   0.000005562  -0.000011914  -0.000010301
 H      3.825842      0.370156     -1.139871    0.00  -0.000000214  -0.000007797  -0.000009757
 H      2.097717     -1.373946     -1.492239    0.00  -0.000012325   0.000003881  -0.000005244
 H      3.286699     -1.943927     -0.309211    0.00  -0.000011075  -0.000005875  -0.000017764
 H      1.349944      1.213574      1.560857    0.00   0.000013060   0.000001981   0.000000827
 H      1.749851     -1.488658      1.580334    0.00   0.000005298  -0.000004011  -0.000007477
 H      0.872842     -2.421609      0.363328    0.00  -0.000005557   0.000004131  -0.000001770
 H      1.478000      1.177056     -1.532251    0.00   0.000003344   0.000004276   0.000001730
 O     -0.629236     -0.591594      1.536325    0.00   0.000238848   0.000139548   0.000270071
 C     -0.221721      2.171326      0.425767    0.00   0.000155239   0.000081075   0.000060170
 H     -1.013350      2.048531      1.174102    0.00   0.000019655   0.000013372   0.000008971
 H      0.190308      3.179801      0.546263    0.00   0.000016833   0.000003705  -0.000002185
 H     -0.708495      2.134971     -0.562597    0.00   0.000007490   0.000004738   0.000009664
 H     -1.091254      0.223633      1.833869    0.00   0.000002923  -0.000004212  -0.000001422
 O     -0.410796     -0.668567     -0.743546    0.00  -0.000111607   0.000124785   0.000209582
 O     -1.575826      0.131329     -0.851445    0.00  -0.000142450   0.000128037   0.000346539
 C     -2.657177     -0.615477     -0.329432    0.00  -0.000152039  -0.000069310  -0.000175597
 H     -2.395512     -1.618007      0.007308    0.00  -0.000006336  -0.000006896  -0.000023331
 O     -3.706357     -0.023438     -0.319390    0.00  -0.000236384  -0.000377679  -0.000522692
26
 Energy =      -0.203484107954
 C      2.484237     -1.199271     -0.462524    0.00  -0.000067299  -0.000030335  -0.000128532
 C      3.049404      0.223488     -0.361710    0.00   0.000035497  -0.000076761  -0.000088738
 C      1.941544      1.270726     -0.529360    0.00   0.000095115  -0.000003773  -0.000003783
 C      0.861254      1.106122      0.554501    0.00   0.000125169   0.000037870   0.000034580
 C      0.298374     -0.329149      0.484105    0.00   0.000052477   0.000059635   0.000091920
 C      1.356880     -1.440038      0.545464    0.00  -0.000004044   0.000000567  -0.000050067
 H      2.367180      2.290019     -0.484365    0.00   0.000013326  -0.000003610   0.000000896
 H      3.561629      0.361723      0.609713    0.00   0.000005929  -0.000013036  -0.000009671
 H      3.825572      0.372684     -1.136767    0.00   0.000001121  -0.000007752  -0.000009122
 H      2.102019     -1.375167     -1.489551    0.00  -0.000012390   0.000005180  -0.000006631
 H      3.289581     -1.941380     -0.303281    0.00  -0.000011253  -0.000006236  -0.000019793
 H      1.345594      1.212837      1.560425    0.00   0.000013741   0.000002132   0.000001159
 H      1.747857     -1.487091      1.582322    0.00   0.000005492  -0.000005524  -0.000008852
 H      0.874858     -2.422549      0.364376    0.00  -0.000006022   0.000004353  -0.000004009
 H      1.476929      1.175571     -1.532529    0.00   0.000004675   0.000005138   0.000001895
 O     -0.634413     -0.594226      1.530537    0.00   0.000272923   0.000143562   0.000300058
 C     -0.226083      2.169092      0.424196    0.00   0.000168089   0.000086776   0.000058060
 H     -1.019277      2.044042      1.170537    0.00   0.000021655   0.000015206   0.000009345
 H      0.184333      3.177918      0.547140    0.00   0.000018290   0.000003776  -0.000003958
 H     -0.710771      2.133594     -0.565242    0.00   0.000007849   0.000004335   0.000010174
 H     -1.091186      0.221977      1.833552    0.00   0.000003719  -0.000002435   0.000000605
 O     -0.408424     -0.671030     -0.747915    0.00  -0.000129089   0.000124395   0.000233217
 O     -1.573419      0.128305     -0.858351    0.00  -0.000154973   0.000137023   0.000361323
 C     -2.653467     -0.612586     -0.325025    0.00  -0.000178937  -0.000065521  -0.000166084
 H     -2.393120     -1.614952      0.013243    0.00  -0.000008545  -0.000005915  -0.000018204
 O     -3.700045     -0.016058     -0.308288    0.00  -0.000272512  -0.000409049  -0.000585791
26
 Energy =      -0.203433679869
 C      2.485873     -1.198548     -0.459180    0.00  -0.000064326  -0.000027561  -0.000143547
 C      3.048374      0.225390     -0.359573    0.00   0.000046229  -0.000078826  -0.000084397
 C      1.939040      1.270757     -0.529338    0.00   0.000110311  -0.000000406   0.000002363
 C      0.858021      1.105143      0.553633    0.00   0.000135387   0.000040050   0.000035901
 C      0.297046     -0.330783      0.481784    0.00   0.000057425   0.000063371   0.000096283
 C      1.356936     -1.439983      0.546920    0.00  -0.000003065  -0.000002450  -0.000067576
 H      2.362963      2.290770     -0.484834    0.00   0.000014958  -0.000003446   0.000002100
 H      3.559580      0.365630      0.612099    0.00   0.000006281  -0.000014217  -0.000008844
 H      3.824935      0.374959     -1.134174    0.00   0.000002660  -0.000007599  -0.000008175
 H      2.105949     -1.376699     -1.486676    0.00  -0.000012231   0.000006665  -0.000008165
 H      3.292273     -1.938928     -0.297261    0.00  -0.000011306  -0.000006599  -0.000021882
 H      1.341415      1.212134      1.559959    0.00   0.000014452   0.000002203   0.000001490
 H      1.745965     -1.485162      1.584567    0.00   0.000005601  -0.000007304  -0.000010455
 H      0.876830     -2.423468      0.366068    0.00  -0.000006478   0.000004630  -0.000006709
 H      1.475515      1.173943     -1.532868    0.00   0.000006238   0.000006096   0.000002115
 O     -0.639783     -0.596740      1.524647    0.00   0.000309134   0.000147487   0.000331434
 C     -0.230419      2.166903      0.422808    0.00   0.000182391   0.000093169   0.000056148
 H     -1.025264      2.039361      1.167018    0.00   0.000024219   0.000017507   0.000009943
 H      0.178333      3.176050      0.548521    0.00   0.000019950   0.000003734  -0.000006278
 H     -0.712909      2.132508     -0.567759    0.00   0.000008037   0.000003693   0.000011043
 H     -1.091672      0.220346      1.832729    0.00   0.000004971  -0.000000446   0.000003076
 O     -0.405893     -0.673282     -0.752356    0.00  -0.000148644   0.000122904   0.000257844
 O     -1.570909      0.125476     -0.864979    0.00  -0.000170267   0.000142849   0.000374955
 C     -2.649623     -0.610004     -0.321235    0.00  -0.000207924  -0.000059784  -0.000151445
 H     -2.390752     -1.612712      0.017147    0.00  -0.000010879  -0.000003260  -0.000011952
 O     -3.693405     -0.008801     -0.296901    0.00  -0.000313125  -0.000442460  -0.000655269
26
 Energy =      -0.203378613949
 C      2.487291     -1.197954     -0.455775    0.00  -0.000059725  -0.000023960  -0.000159199
 C      3.047170      0.227167     -0.357733    0.00   0.000058713  -0.000080233  -0.000078277
 C      1.936385      1.270703     -0.529469    0.00   0.000127323   0.000003590   0.000009520
 C      0.854814      1.104201      0.552809    0.00   0.000146636   0.000042135   0.000037204
 C      0.295711     -0.332371      0.479583    0.00   0.000062522   0.000067472   0.000099597
 C      1.356953     -1.439858      0.548683    0.00  -0.000001954  -0.000005930  -0.000087889
 H      2.358650      2.291414     -0.485604    0.00   0.000016722  -0.000003230   0.000003459
 H      3.557610      0.369532      0.614034    0.00   0.000006636  -0.000015438  -0.000007811
 H      3.823929      0.376971     -1.132103    0.00   0.000004411  -0.000007331  -0.000006928
 H      2.109470     -1.378530     -1.483629    0.00  -0.000011798   0.000008317  -0.000009835
 H      3.294758     -1.936581     -0.291199    0.00  -0.000011219  -0.000006959  -0.000023982
 H      1.337398      1.211491      1.559462    0.00   0.000015222   0.000002155   0.000001823
 H      1.744197     -1.482874      1.587062    0.00   0.000005602  -0.000009348  -0.000012280
 H      0.878755     -2.424366      0.368414    0.00  -0.000006925   0.000004963  -0.000009897
 H      1.473761      1.172181     -1.533266    0.00   0.000008043   0.000007156   0.000002399
 O     -0.645303     -0.599140      1.518698    0.00   0.000346629   0.000151550   0.000363374
 C     -0.234740      2.164754      0.421574    0.00   0.000198395   0.000100363   0.000055069
 H     -1.031374      2.034432      1.163446    0.00   0.000027443   0.000020341   0.000010876
 H      0.172271      3.174189      0.550457    0.00   0.000021854   0.000003572  -0.000009176
 H     -0.714847      2.131749     -0.570213    0.00   0.000008003   0.000002787   0.000012383
 H     -1.092761      0.218732      1.831365    0.00   0.000006821   0.000001758   0.000006058
 O     -0.403215     -0.675319     -0.756838    0.00  -0.000170098   0.000120311   0.000282854
 O     -1.568283      0.122885     -0.871297    0.00  -0.000188851   0.000144444   0.000386820
 C     -2.645671     -0.607740     -0.318115    0.00  -0.000238766  -0.000051844  -0.000130275
 H     -2.388473     -1.611333      0.018894    0.00  -0.000013265   0.000001357  -0.000004295
 O     -3.686439     -0.001685     -0.285250    0.00  -0.000358376  -0.000478000  -0.000731591
26
 Energy =      -0.203318465189
 C      2.488479     -1.197491     -0.452332    0.00  -0.000053248  -0.000019539  -0.000175220
 C      3.045795      0.228812     -0.356193    0.00   0.000073079  -0.000080883  -0.000070432
 C      1.933582      1.270567     -0.529748    0.00   0.000146254   0.000008275   0.000017692
 C      0.851630      1.103301      0.552028    0.00   0.000159078   0.000043985   0.000038601
 C      0.294378     -0.333915      0.477523    0.00   0.000067780   0.000072013   0.000101477
 C      1.356938     -1.439669      0.550749    0.00  -0.000000766  -0.000009771  -0.000111023
 H      2.354253      2.291951     -0.486660    0.00   0.000018633  -0.000002948   0.000004990
 H      3.555715      0.373406      0.615520    0.00   0.000007029  -0.000016672  -0.000006590
 H      3.822559      0.378717     -1.130548    0.00   0.000006374  -0.000006937  -0.000005396
 H      2.112549     -1.380635     -1.480431    0.00  -0.000011054   0.000010110  -0.000011634
 H      3.297021     -1.934349     -0.285151    0.00  -0.000010963  -0.000007313  -0.000026017
 H      1.333526      1.210938      1.558937    0.00   0.000016084   0.000001943   0.000002158
 H      1.742577     -1.480239      1.589798    0.00   0.000005469  -0.000011655  -0.000014320
 H      0.880628     -2.425244      0.371414    0.00  -0.000007353   0.000005348  -0.000013578
 H      1.471677      1.170296     -1.533722    0.00   0.000010088   0.000008315   0.000002745
 O     -0.650921     -0.601435      1.512745    0.00   0.000384221   0.000156064   0.000394684
 C     -0.239055      2.162639      0.420454    0.00   0.000216370   0.000108410   0.000055526
 H     -1.037668      2.029208      1.159714    0.00   0.000031373   0.000023719   0.000012282
 H      0.166109      3.172326      0.552974    0.00   0.000024063   0.000003316  -0.000012620
 H     -0.716524      2.131345     -0.572673    0.00   0.000007713   0.000001596   0.000014267
 H     -1.094508      0.217125      1.829416    0.00   0.000009461   0.000004123   0.000009651
 O     -0.400407     -0.677145     -0.761322    0.00  -0.000193195   0.000116888   0.000307465
 O     -1.565526      0.120580     -0.877273    0.00  -0.000211327   0.000140509   0.000396250
 C     -2.641641     -0.605802     -0.315726    0.00  -0.000271185  -0.000041341  -0.000100609
 H     -2.386362     -1.610854      0.018332    0.00  -0.000015619   0.000008305   0.000005151
 O     -3.679155      0.005276     -0.273355    0.00  -0.000408358  -0.000515862  -0.000815501
26
 Energy =      -0.203252742076
 C      2.489427     -1.197154     -0.448880    0.00  -0.000044651  -0.000014365  -0.000191214
 C      3.044248      0.230319     -0.354945    0.00   0.000089480  -0.000080692  -0.000061074
 C      1.930641      1.270348     -0.530168    0.00   0.000167186   0.000013678   0.000026946
 C      0.848465      1.102449      0.551285    0.00   0.000172982   0.000045515   0.000040254
 C      0.293053     -0.335417      0.475629    0.00   0.000073108   0.000077131   0.000101375
 C      1.356895     -1.439421      0.553107    0.00   0.000000546  -0.000013892  -0.000136912
 H      2.349785      2.292377     -0.487986    0.00   0.000020686  -0.000002603   0.000006685
 H      3.553881      0.377225      0.616573    0.00   0.000007519  -0.000017887  -0.000005197
 H      3.820843      0.380198     -1.129488    0.00   0.000008539  -0.000006420  -0.000003655
 H      2.115153     -1.382980     -1.477108    0.00  -0.000009944   0.000011988  -0.000013536
 H      3.299048     -1.932242     -0.279179    0.00  -0.000010519  -0.000007651  -0.000027918
 H      1.329777      1.210504      1.558385    0.00   0.000017075   0.000001521   0.000002510
 H      1.741124     -1.477279      1.592753    0.00   0.000005187  -0.000014184  -0.000016533
 H      0.882445     -2.426101      0.375048    0.00  -0.000007760   0.000005770  -0.000017746
 H      1.469279      1.168298     -1.534234    0.00   0.000012373   0.000009594   0.000003167
 O     -0.656572     -0.603633      1.506854    0.00   0.000420310   0.000161264   0.000423729
 C     -0.243374      2.160554      0.419401    0.00   0.000236561   0.000117216   0.000058285
 H     -1.044191      2.023666      1.155726    0.00   0.000035975   0.000027602   0.000014282
 H      0.159817      3.170455      0.556065    0.00   0.000026631   0.000003024  -0.000016509
 H     -0.717897      2.131308     -0.575209    0.00   0.000007160   0.000000131   0.000016713
 H     -1.096979      0.215510      1.826826    0.00   0.000013156   0.000006563   0.000013968
 O     -0.397489     -0.678770     -0.765763    0.00  -0.000217459   0.000113028   0.000330657
 O     -1.562626      0.118607     -0.882874    0.00  -0.000238434   0.000129769   0.000402765
 C     -2.637574     -0.604193     -0.314141    0.00  -0.000304792  -0.000027791  -0.000059817
 H     -2.384511     -1.611312      0.015279    0.00  -0.000017832   0.000018085   0.000016909
 O     -3.671565      0.012066     -0.261234    0.00  -0.000463083  -0.000556396  -0.000908135
26
 Energy =      -0.203180879761
 C      2.490127     -1.196939     -0.445451    0.00  -0.000033637  -0.000008590  -0.000206753
 C      3.042533      0.231685     -0.353976    0.00   0.000108052  -0.000079623  -0.000050604
 C      1.927572      1.270050     -0.530722    0.00   0.000190182   0.000019810   0.000037323
 C      0.845315      1.101651      0.550574    0.00   0.000188584   0.000046543   0.000042389
 C      0.291745     -0.336878      0.473928    0.00   0.000078577   0.000082820   0.000098786
 C      1.356828     -1.439125      0.555735    0.00   0.000002066  -0.000018095  -0.000165275
 H      2.345260      2.292695     -0.489563    0.00   0.000022898  -0.000002191   0.000008560
 H      3.552085      0.380961      0.617227    0.00   0.000008187  -0.000019054  -0.000003683
 H      3.818804      0.381421     -1.128882    0.00   0.000010889  -0.000005784  -0.000001793
 H      2.117259     -1.385520     -1.473692    0.00  -0.000008425   0.000013882  -0.000015510
 H      3.300826     -1.930269     -0.273355    0.00  -0.000009856  -0.000007968  -0.000029574
 H      1.326128      1.210219      1.557805    0.00   0.000018232   0.000000845   0.000002887
 H      1.739855     -1.474032      1.595902    0.00   0.000004759  -0.000016875  -0.000018872
 H      0.884200     -2.426938      0.379278    0.00  -0.000008124   0.000006206  -0.000022343
 H      1.466590      1.166196     -1.534802    0.00   0.000014880   0.000010996   0.000003670
 O     -0.662178     -0.605744      1.501109    0.00   0.000452801   0.000167371   0.000448270
 C     -0.247705      2.158500      0.418367    0.00   0.000259177   0.000126516   0.000064051
 H     -1.050964      2.017815      1.151407    0.00   0.000041102   0.000031852   0.000016999
 H      0.153377      3.168575      0.559679    0.00   0.000029618   0.000002811  -0.000020648
 H     -0.718946      2.131633     -0.577875    0.00   0.000006370  -0.000001581   0.000019636
 H     -1.100250      0.213875      1.823528    0.00   0.000018267   0.000008832   0.000019154
 O     -0.394494     -0.680213     -0.770111    0.00  -0.000242174   0.000109768   0.000351106
 O     -1.559569      0.117014     -0.888070    0.00  -0.000270985   0.000110788   0.000406086
 C     -2.633518     -0.602920     -0.313456    0.00  -0.000338925  -0.000010622  -0.000004373
 H     -2.383030     -1.612740      0.009505    0.00  -0.000019737   0.000031287   0.000031706
 O     -3.663682      0.018670     -0.248900    0.00  -0.000522779  -0.000599943  -0.001011193
26
 Energy =      -0.203102195901
 C      2.490571     -1.196836     -0.442081    0.00  -0.000019898  -0.000002442  -0.000221295
 C      3.040658      0.232909     -0.353259    0.00   0.000128904  -0.000077717  -0.000039633
 C      1.924390      1.269677     -0.531402    0.00   0.000215233   0.000026616   0.000048866
 C      0.842175      1.100915      0.549885    0.00   0.000206138   0.000046876   0.000045295
 C      0.290459     -0.338299      0.472445    0.00   0.000084283   0.000089071   0.000093079
 C      1.356738     -1.438792      0.558600    0.00   0.000004049  -0.000022153  -0.000195577
 H      2.340699      2.292907     -0.491371    0.00   0.000025264  -0.000001716   0.000010618
 H      3.550296      0.384583      0.617529    0.00   0.000009132  -0.000020127  -0.000002128
 H      3.816483      0.382401     -1.128670    0.00   0.000013380  -0.000005049   0.000000045
 H      2.118845     -1.388195     -1.470226    0.00  -0.000006458   0.000015690  -0.000017507
 H      3.302341     -1.928439     -0.267754    0.00  -0.000008945  -0.000008251  -0.000030889
 H      1.322558      1.210113      1.557196    0.00   0.000019586  -0.000000118   0.000003311
 H      1.738782     -1.470554      1.599205    0.00   0.000004209  -0.000019632  -0.000021250
 H      0.885880     -2.427753      0.384039    0.00  -0.000008421   0.000006622  -0.000027272
 H      1.463643      1.164002     -1.535425    0.00   0.000017582   0.000012531   0.000004264
 O     -0.667645     -0.607770      1.495607    0.00   0.000479140   0.000174329   0.000465521
 C     -0.252047      2.156486      0.417305    0.00   0.000284302   0.000135822   0.000073359
 H     -1.057972      2.011705      1.146721    0.00   0.000046495   0.000036250   0.000020506
 H      0.146794      3.166692      0.563722    0.00   0.000033062   0.000002814  -0.000024765
 H     -0.719677      2.132297     -0.580707    0.00   0.000005407  -0.000003486   0.000022863
 H     -1.104400      0.212213      1.819443    0.00   0.000025198   0.000010594   0.000025327
 O     -0.391461     -0.681506     -0.774304    0.00  -0.000266300   0.000108568   0.000367184
 O     -1.556348      0.115841     -0.892838    0.00  -0.000309774   0.000082414   0.000406623
 C     -2.629535     -0.601983     -0.313780    0.00  -0.000372541   0.000010658   0.000069936
 H     -2.382050     -1.615164      0.000744    0.00  -0.000021087   0.000048474   0.000050418
 O     -3.655526      0.025068     -0.236366    0.00  -0.000587941  -0.000646639  -0.001126898
26
 Energy =      -0.203015829559
 C      2.490757     -1.196831     -0.438811    0.00  -0.000003150   0.000003758  -0.000234291
 C      3.038634      0.233990     -0.352763    0.00   0.000152076  -0.000075073  -0.000028950
 C      1.921115      1.269236     -0.532195    0.00   0.000242216   0.000033944   0.000061548
 C      0.839047      1.100248      0.549209    0.00   0.000225822   0.000046288   0.000049289
 C      0.289200     -0.339675      0.471209    0.00   0.000090484   0.000095672   0.000083696
 C      1.356623     -1.438436      0.561655    0.00   0.000006877  -0.000025742  -0.000226965
 H      2.336126      2.293017     -0.493383    0.00   0.000027773  -0.000001184   0.000012847
 H      3.548479      0.388056      0.617545    0.00   0.000010462  -0.000021064  -0.000000637
 H      3.813931      0.383158     -1.128774    0.00   0.000015954  -0.000004248   0.000001699
 H      2.119901     -1.390935     -1.466760    0.00  -0.000004028   0.000017307  -0.000019462
 H      3.303580     -1.926759     -0.262459    0.00  -0.000007758  -0.000008483  -0.000031769
 H      1.319051      1.210206      1.556556    0.00   0.000021164  -0.000001383   0.000003804
 H      1.737905     -1.466918      1.602613    0.00   0.000003590  -0.000022320  -0.000023569
 H      0.887464     -2.428543      0.389237    0.00  -0.000008601   0.000006977  -0.000032366
 H      1.460481      1.161731     -1.536102    0.00   0.000020425   0.000014189   0.000004954
 O     -0.672869     -0.609703      1.490465    0.00   0.000496429   0.000181766   0.000472109
 C     -0.256387      2.154527      0.416177    0.00   0.000311815   0.000144416   0.000086452
 H     -1.065162      2.005428      1.141678    0.00   0.000051809   0.000040496   0.000024797
 H      0.140102      3.164820      0.568053    0.00   0.000036953   0.000003165  -0.000028529
 H     -0.720125      2.133257     -0.583712    0.00   0.000004379  -0.000005510   0.000026137
 H     -1.109501      0.210522      1.814500    0.00   0.000034335   0.000011417   0.000032596
 O     -0.388441     -0.682691     -0.778272    0.00  -0.000288442   0.000111463   0.000377061
 O     -1.552961      0.115120     -0.897168    0.00  -0.000355406   0.000043983   0.000405500
 C     -2.625697     -0.601383     -0.315237    0.00  -0.000403954   0.000036217   0.000167833
 H     -2.381716     -1.618588     -0.011280    0.00  -0.000021490   0.000069941   0.000074132
 O     -3.647123      0.031235     -0.223650    0.00  -0.000659733  -0.000695992  -0.001257915
26
 Energy =      -0.202920671281
 C      2.490685     -1.196906     -0.435684    0.00   0.000016794   0.000009679  -0.000245235
 C      3.036482      0.234935     -0.352446    0.00   0.000177488  -0.000071861  -0.000019445
 C      1.917780      1.268740     -0.533088    0.00   0.000270831   0.000041542   0.000075207
 C      0.835938      1.099659      0.548534    0.00   0.000247683   0.000044522   0.000054635
 C      0.287969     -0.340999      0.470239    0.00   0.000097557   0.000102259   0.000070227
 C      1.356477     -1.438074      0.564838    0.00   0.000011133  -0.000028573  -0.000258286
 H      2.331578      2.293037     -0.495568    0.00   0.000030397  -0.000000611   0.000015221
 H      3.546596      0.391344      0.617350    0.00   0.000012263  -0.000021831   0.000000662
 H      3.811214      0.383718     -1.129099    0.00   0.000018534  -0.000003422   0.000003003
 H      2.120432     -1.393660     -1.463350    0.00  -0.000001144   0.000018623  -0.000021292
 H      3.304532     -1.925238     -0.257549    0.00  -0.000006282  -0.000008646  -0.000032152
 H      1.315601      1.210509      1.555883    0.00   0.000022973  -0.000002941   0.000004386
 H      1.737210     -1.463221      1.606063    0.00   0.000002995  -0.000024764  -0.000025716
 H      0.888925     -2.429303      0.394741    0.00  -0.000008598   0.000007233  -0.000037402
 H      1.457160      1.159405     -1.536829    0.00   0.000023342   0.000015946   0.000005733
 O     -0.677736     -0.611526      1.485809    0.00   0.000501836   0.000188798   0.000464421
 C     -0.260703      2.152648      0.414958    0.00   0.000341305   0.000151404   0.000103152
 H     -1.072437      1.999119      1.136345    0.00   0.000056683   0.000044253   0.000029731
 H      0.133366      3.162986      0.572503    0.00   0.000041206   0.000003925  -0.000031603
 H     -0.720356      2.134453     -0.586867    0.00   0.000003437  -0.000007559   0.000029183
 H     -1.115588      0.208809      1.808653    0.00   0.000045886   0.000010965   0.000041019
 O     -0.385495     -0.683823     -0.781942    0.00  -0.000306900   0.000120846   0.000378946
 O     -1.549417      0.114863     -0.901071    0.00  -0.000408023  -0.000004273   0.000404784
 C     -2.622085     -0.601108     -0.317941    0.00  -0.000430800   0.000065505   0.000293733
 H     -2.382181     -1.622974     -0.026806    0.00  -0.000020382   0.000095333   0.000103999
 O     -3.638510      0.037131     -0.210776    0.00  -0.000740214  -0.000746352  -0.001406912
26
 Energy =      -0.202815312278
 C      2.490364     -1.197042     -0.432744    0.00   0.000039960   0.000015015  -0.000253800
 C      3.034226      0.235750     -0.352260    0.00   0.000204910  -0.000068273  -0.000011957
 C      1.914421      1.268204     -0.534059    0.00   0.000300618   0.000049059   0.000089486
 C      0.832862      1.099155      0.547853    0.00   0.000271603   0.000041383   0.000061477
 C      0.286766     -0.342260      0.469549    0.00   0.000106022   0.000108250   0.000052591
 C      1.356288     -1.437723      0.568074    0.00   0.000017461  -0.000030347  -0.000288172
 H      2.327098      2.292977     -0.497880    0.00   0.000033081  -0.000000012   0.000017674
 H      3.544618      0.394411      0.617029    0.00   0.000014576  -0.000022395   0.000001642
 H      3.808406      0.384110     -1.129547    0.00   0.000021037  -0.000002611   0.000003835
 H      2.120463     -1.396289     -1.460058    0.00   0.000002135   0.000019564  -0.000022919
 H      3.305193     -1.923877     -0.253088    0.00  -0.000004505  -0.000008722  -0.000032029
 H      1.312211      1.211017      1.555178    0.00   0.000025010  -0.000004743   0.000005067
 H      1.736672     -1.459569      1.609485    0.00   0.000002531  -0.000026798  -0.000027598
 H      0.890229     -2.430027      0.400393    0.00  -0.000008320   0.000007361  -0.000042110
 H      1.453749      1.157054     -1.537600    0.00   0.000026245   0.000017742   0.000006583
 O     -0.682138     -0.613210      1.481761    0.00   0.000493216   0.000193961   0.000439151
 C     -0.264956      2.150881      0.413640    0.00   0.000372043   0.000155855   0.000122823
 H     -1.079669      1.992939      1.130838    0.00   0.000060838   0.000047198   0.000035007
 H      0.126683      3.161223      0.576887    0.00   0.000045632   0.000005035  -0.000033712
 H     -0.720450      2.135814     -0.590119    0.00   0.000002757  -0.000009540   0.000031783
 H     -1.122639      0.207085      1.801911    0.00   0.000059690   0.000009236   0.000050590
 O     -0.382690     -0.684961     -0.785243    0.00  -0.000319916   0.000138996   0.000371401
 O     -1.545740      0.115058     -0.904580    0.00  -0.000467018  -0.000060880   0.000407478
 C     -2.618781     -0.601134     -0.321971    0.00  -0.000450265   0.000096877   0.000450488
 H     -2.383580     -1.628220     -0.045960    0.00  -0.000017066   0.000123368   0.000141034
 O     -3.629736      0.042708     -0.197786    0.00  -0.000832274  -0.000794578  -0.001575813
26
 Energy =      -0.202698056168
 C      2.489812     -1.197219     -0.430022    0.00   0.000066150   0.000019573  -0.000259897
 C      3.031900      0.236445     -0.352159    0.00   0.000233945  -0.000064477  -0.000007109
 C      1.911083      1.267645     -0.535085    0.00   0.000330960   0.000056137   0.000103861
 C      0.829836      1.098743      0.547161    0.00   0.000297306   0.000036816   0.000069723
 C      0.285586     -0.343443      0.469138    0.00   0.000116368   0.000113017   0.000031098
 C      1.356042     -1.437396      0.571284    0.00   0.000026517  -0.000030935  -0.000315256
 H      2.322735      2.292855     -0.500267    0.00   0.000035762   0.000000584   0.000020108
 H      3.542531      0.397230      0.616660    0.00   0.000017384  -0.000022739   0.000002208
 H      3.805579      0.384368     -1.130026    0.00   0.000023391  -0.000001855   0.000004119
 H      2.120043     -1.398754     -1.456939    0.00   0.000005717   0.000020096  -0.000024277
 H      3.305568     -1.922678     -0.249117    0.00  -0.000002442  -0.000008695  -0.000031456
 H      1.308892      1.211714      1.554446    0.00   0.000027249  -0.000006719   0.000005846
 H      1.736250     -1.456067      1.612807    0.00   0.000002318  -0.000028277  -0.000029156
 H      0.891342     -2.430705      0.406026    0.00  -0.000007674   0.000007360  -0.000046243
 H      1.450317      1.154715     -1.538405    0.00   0.000029057   0.000019507   0.000007472
 O     -0.685989     -0.614725      1.478417    0.00   0.000469734   0.000195355   0.000394115
 C     -0.269104      2.149259      0.412235    0.00   0.000403052   0.000156949   0.000144431
 H     -1.086718      1.987053      1.125302    0.00   0.000064144   0.000049099   0.000040194
 H      0.120164      3.159570      0.581033    0.00   0.000049953   0.000006300  -0.000034699
 H     -0.720495      2.137269     -0.593394    0.00   0.000002513  -0.000011357   0.000033842
 H     -1.130555      0.205356      1.794361    0.00   0.000075175   0.000006707   0.000061187
 O     -0.380092     -0.686164     -0.788120    0.00  -0.000325919   0.000167507   0.000353749
 O     -1.541967      0.115666     -0.907756    0.00  -0.000531001  -0.000123202   0.000417181
 C     -2.615854     -0.601412     -0.327346    0.00  -0.000459815   0.000127631   0.000638222
 H     -2.386014     -1.634149     -0.068690    0.00  -0.000010874   0.000151917   0.000185750
 O     -3.620858      0.047911     -0.184739    0.00  -0.000938971  -0.000836300  -0.001765013
26
 Energy =      -0.202567026102
 C      2.489056     -1.197418     -0.427538    0.00   0.000094930   0.000023294  -0.000263691
 C      3.029537      0.237033     -0.352101    0.00   0.000264060  -0.000060594  -0.000005201
 C      1.907806      1.267082     -0.536137    0.00   0.000361222   0.000062485   0.000117684
 C      0.826880      1.098423      0.546457    0.00   0.000324336   0.000030849   0.000079082
 C      0.284422     -0.344534      0.468988    0.00   0.000129071   0.000116033   0.000006526
 C      1.355726     -1.437106      0.574394    0.00   0.000038824  -0.000030376  -0.000338459
 H      2.318532      2.292686     -0.502672    0.00   0.000038365   0.000001163   0.000022427
 H      3.540333      0.399785      0.616308    0.00   0.000020605  -0.000022865   0.000002319
 H      3.802798      0.384522     -1.130461    0.00   0.000025561  -0.000001174   0.000003860
 H      2.119238     -1.401004     -1.454034    0.00   0.000009482   0.000020236  -0.000025333
 H      3.305672     -1.921634     -0.245640    0.00  -0.000000115  -0.000008562  -0.000030542
 H      1.305658      1.212565      1.553696    0.00   0.000029646  -0.000008773   0.000006689
 H      1.735896     -1.452806      1.615970    0.00   0.000002456  -0.000029119  -0.000030368
 H      0.892237     -2.431332      0.411484    0.00  -0.000006587   0.000007244  -0.000049600
 H      1.446933      1.152428     -1.539229    0.00   0.000031705   0.000021165   0.000008358
 O     -0.689240     -0.616041      1.475832    0.00   0.000432194   0.000191252   0.000328907
 C     -0.273102      2.147809      0.410767    0.00   0.000433253   0.000154185   0.000166721
 H     -1.093459      1.981602      1.119888    0.00   0.000066610   0.000049828   0.000044869
 H      0.113917      3.158061      0.584809    0.00   0.000053888   0.000007483  -0.000034549
 H     -0.720569      2.138751     -0.596618    0.00   0.000002831  -0.000012957   0.000035358
 H     -1.139169      0.203621      1.786161    0.00   0.000091474   0.000004133   0.000072541
 O     -0.377751     -0.687477     -0.790542    0.00  -0.000323833   0.000206888   0.000326146
 O     -1.538145      0.116625     -0.910682    0.00  -0.000598032  -0.000188009   0.000437625
 C     -2.613350     -0.601879     -0.334006    0.00  -0.000458068   0.000154427   0.000853711
 H     -2.389520     -1.640521     -0.094740    0.00  -0.000001394   0.000178545   0.000237849
 O     -3.611931      0.052686     -0.171700    0.00  -0.001062484  -0.000866782  -0.001972928
26
 Energy =      -0.202420352561
 C      2.488127     -1.197625     -0.425294    0.00   0.000125721   0.000026203  -0.000265552
 C      3.027169      0.237526     -0.352053    0.00   0.000294668  -0.000056684  -0.000006190
 C      1.904624      1.266529     -0.537189    0.00   0.000390803   0.000067937   0.000130356
 C      0.824009      1.098191      0.545745    0.00   0.000352233   0.000023741   0.000089099
 C      0.283265     -0.345524      0.469071    0.00   0.000144446   0.000116960  -0.000020132
 C      1.355329     -1.436856      0.577350    0.00   0.000054658  -0.000028854  -0.000357110
 H      2.314524      2.292485     -0.505046    0.00   0.000040831   0.000001702   0.000024528
 H      3.538039      0.402074      0.616021    0.00   0.000024120  -0.000022782   0.000001994
 H      3.800108      0.384599     -1.130803    0.00   0.000027529  -0.000000573   0.000003113
 H      2.118126     -1.403017     -1.451365    0.00   0.000013307   0.000020037  -0.000026089
 H      3.305529     -1.920735     -0.242634    0.00   0.000002436  -0.000008333  -0.000029420
 H      1.302522      1.213534      1.552937    0.00   0.000032149  -0.000010804   0.000007564
 H      1.735562     -1.449842      1.618933    0.00   0.000003015  -0.000029317  -0.000031247
 H      0.892896     -2.431901      0.416649    0.00  -0.000005016   0.000007036  -0.000052075
 H      1.443648      1.150224     -1.540057    0.00   0.000034147   0.000022659   0.000009203
 O     -0.691885     -0.617143      1.474011    0.00   0.000382789   0.000180521   0.000245064
 C     -0.276918      2.146549      0.409266    0.00   0.000461689   0.000147390   0.000188502
 H     -1.099800      1.976685      1.114721    0.00   0.000068328   0.000049383   0.000048690
 H      0.108025      3.156721      0.588134    0.00   0.000057193   0.000008362  -0.000033363
 H     -0.720729      2.140213     -0.599722    0.00   0.000003755  -0.000014304   0.000036404
 H     -1.148277      0.201865      1.777513    0.00   0.000107710   0.000002294   0.000084220
 O     -0.375701     -0.688928     -0.792508    0.00  -0.000313193   0.000256495   0.000289569
 O     -1.534317      0.117862     -0.913451    0.00  -0.000666102  -0.000252269   0.000471958
 C     -2.611283     -0.602455     -0.341820    0.00  -0.000445210   0.000174054   0.001090919
 H     -2.394076     -1.647059     -0.123690    0.00   0.000011384   0.000201178   0.000296167
 O     -3.602999      0.056995     -0.158730    0.00  -0.001203387  -0.000882032  -0.002196172
26
 Energy =      -0.202256375944
 C      2.487056     -1.197831     -0.423278    0.00   0.000157887   0.000028375  -0.000265943
 C      3.024819      0.237938     -0.351993    0.00   0.000325164  -0.000052775  -0.000009750
 C      1.901556      1.265996     -0.538221    0.00   0.000419232   0.000072472   0.000141394
 C      0.821228      1.098041      0.545031    0.00   0.000380496   0.000015772   0.000099309
 C      0.282103     -0.346407      0.469350    0.00   0.000162705   0.000115714  -0.000047824
 C      1.354844     -1.436647      0.580115    0.00   0.000074015  -0.000026642  -0.000370992
 H      2.310725      2.292265     -0.507346    0.00   0.000043122   0.000002200   0.000026351
 H      3.535669      0.404108      0.615821    0.00   0.000027797  -0.000022515   0.000001291
 H      3.797536      0.384619     -1.131027    0.00   0.000029308  -0.000000046   0.000001981
 H      2.116781     -1.404791     -1.448935    0.00   0.000017073   0.000019571  -0.000026573
 H      3.305170     -1.919965     -0.240047    0.00   0.000005175  -0.000008023  -0.000028208
 H      1.299488      1.214581      1.552181    0.00   0.000034705  -0.000012720   0.000008417
 H      1.735206     -1.447203      1.621674    0.00   0.000004028  -0.000028938  -0.000031825
 H      0.893315     -2.432410      0.421447    0.00  -0.000002966   0.000006755  -0.000053649
 H      1.440495      1.148127     -1.540875    0.00   0.000036358   0.000023945   0.000009971
 O     -0.693957     -0.618025      1.472914    0.00   0.000324540   0.000162996   0.000145574
 C     -0.280533      2.145484      0.407763    0.00   0.000487616   0.000136742   0.000208801
 H     -1.105693      1.972349      1.109885    0.00   0.000069413   0.000047832   0.000051495
 H      0.102541      3.155560      0.590980    0.00   0.000059731   0.000008815  -0.000031309
 H     -0.721011      2.141619     -0.602661    0.00   0.000005253  -0.000015408   0.000037049
 H     -1.157680      0.200072      1.768623    0.00   0.000123196   0.000001679   0.000095720
 O     -0.373952     -0.690530     -0.794039    0.00  -0.000294037   0.000314876   0.000245406
 O     -1.530519      0.119304     -0.916158    0.00  -0.000733506  -0.000313732   0.000522344
 C     -2.609637     -0.603062     -0.350617    0.00  -0.000422758   0.000183960   0.001342304
 H     -2.399608     -1.653497     -0.155035    0.00   0.000027095   0.000218484   0.000358924
 O     -3.594087      0.060812     -0.145874    0.00  -0.001360640  -0.000879389  -0.002430258
26
 Energy =      -0.202073792925
 C      2.485872     -1.198030     -0.421469    0.00   0.000190791   0.000029885  -0.000265264
 C      3.022503      0.238283     -0.351908    0.00   0.000355006  -0.000048886  -0.000015422
 C      1.898613      1.265491     -0.539217    0.00   0.000446151   0.000076159   0.000150541
 C      0.818540      1.097961      0.544320    0.00   0.000408711   0.000007356   0.000109274
 C      0.280928     -0.347186      0.469790    0.00   0.000183783   0.000112396  -0.000075616
 C      1.354267     -1.436476      0.582677    0.00   0.000096713  -0.000024107  -0.000380260
 H      2.307138      2.292035     -0.509546    0.00   0.000045212   0.000002651   0.000027848
 H      3.533245      0.405909      0.615719    0.00   0.000031509  -0.000022095   0.000000306
 H      3.795089      0.384600     -1.131126    0.00   0.000030919   0.000000420   0.000000565
 H      2.115267     -1.406341     -1.446733    0.00   0.000020703   0.000018906  -0.000026824
 H      3.304624     -1.919307     -0.237819    0.00   0.000008047  -0.000007651  -0.000027021
 H      1.296558      1.215671      1.551435    0.00   0.000037261  -0.000014459   0.000009223
 H      1.734797     -1.444886      1.624192    0.00   0.000005492  -0.000028065  -0.000032130
 H      0.893502     -2.432861      0.425845    0.00  -0.000000487   0.000006414  -0.000054379
 H      1.437491      1.146148     -1.541672    0.00   0.000038336   0.000025015   0.000010641
 O     -0.695515     -0.618696      1.472476    0.00   0.000260680   0.000139228   0.000034141
 C     -0.283943      2.144608      0.406280    0.00   0.000510564   0.000122620   0.000226985
 H     -1.111125      1.968597      1.105425    0.00   0.000069956   0.000045307   0.000053249
 H      0.097483      3.154577      0.593357    0.00   0.000061443   0.000008808  -0.000028578
 H     -0.721429      2.142955     -0.605408    0.00   0.000007234  -0.000016291   0.000037358
 H     -1.167210      0.198217      1.759674    0.00   0.000137517   0.000002501   0.000106578
 O     -0.372501     -0.692283     -0.795175    0.00  -0.000266643   0.000380227   0.000194947
 O     -1.526776      0.120887     -0.918883    0.00  -0.000798989  -0.000371187   0.000589886
 C     -2.608377     -0.603628     -0.360215    0.00  -0.000392876   0.000182545   0.001600195
 H     -2.406016     -1.659598     -0.188263    0.00   0.000045142   0.000229901   0.000424142
 O     -3.585202      0.064131     -0.133159    0.00  -0.001532172  -0.000857596  -0.002670383
26
 Energy =      -0.201871715742
 C      2.484599     -1.198217     -0.419841    0.00   0.000223871   0.000030782  -0.000263871
 C      3.020230      0.238571     -0.351791    0.00   0.000383715  -0.000045039  -0.000022689
 C      1.895793      1.265014     -0.540166    0.00   0.000471304   0.000079113   0.000157690
 C      0.815940      1.097940      0.543618    0.00   0.000436479  -0.000001188   0.000118697
 C      0.279728     -0.347864      0.470355    0.00   0.000207577   0.000107209  -0.000102824
 C      1.353599     -1.436338      0.585034    0.00   0.000122345  -0.000021531  -0.000385259
 H      2.303753      2.291799     -0.511632    0.00   0.000047098   0.000003057   0.000029008
 H      3.530790      0.407503      0.615713    0.00   0.000035149  -0.000021552  -0.000000879
 H      3.792768      0.384551     -1.131105    0.00   0.000032380   0.000000840  -0.000001030
 H      2.113637     -1.407689     -1.444739    0.00   0.000024132   0.000018099  -0.000026885
 H      3.303921     -1.918747     -0.235888    0.00   0.000011012  -0.000007237  -0.000025923
 H      1.293727      1.216776      1.550708    0.00   0.000039772  -0.000015971   0.000009952
 H      1.734313     -1.442872      1.626495    0.00   0.000007376  -0.000026815  -0.000032200
 H      0.893471     -2.433254      0.429841    0.00   0.000002356   0.000006019  -0.000054353
 H      1.434638      1.144288     -1.542441    0.00   0.000040082   0.000025867   0.000011199
 O     -0.696628     -0.619169      1.472617    0.00   0.000194108   0.000110252  -0.000085541
 C     -0.287152      2.143910      0.404836    0.00   0.000530273   0.000105545   0.000242713
 H     -1.116111      1.965406      1.101354    0.00   0.000070032   0.000041950   0.000054026
 H      0.092848      3.153764      0.595296    0.00   0.000062347   0.000008371  -0.000025344
 H     -0.721985      2.144213     -0.607955    0.00   0.000009583  -0.000016985   0.000037373
 H     -1.176739      0.196281      1.750804    0.00   0.000150496   0.000004717   0.000116435
 O     -0.371336     -0.694178     -0.795956    0.00  -0.000231434   0.000450697   0.000139415
 O     -1.523102      0.122564     -0.921693    0.00  -0.000861759  -0.000424194   0.000674433
 C     -2.607457     -0.604093     -0.370442    0.00  -0.000357733   0.000169122   0.001857906
 H     -2.413190     -1.665175     -0.222915    0.00   0.000064887   0.000235420   0.000489962
 O     -3.576338      0.066956     -0.120597    0.00  -0.001715447  -0.000816548  -0.002912012
26
 Energy =      -0.201649657719
 C      2.483256     -1.198390     -0.418369    0.00   0.000256636   0.000031096  -0.000262012
 C      3.018006      0.238812     -0.351641    0.00   0.000410884  -0.000041267  -0.000031055
 C      1.893092      1.264565     -0.541065    0.00   0.000494500   0.000081453   0.000162884
 C      0.813422      1.097969      0.542929    0.00   0.000463457  -0.000009583   0.000127391
 C      0.278497     -0.348448      0.471018    0.00   0.000233872   0.000100400  -0.000128992
 C      1.352841     -1.436226      0.587195    0.00   0.000150405  -0.000019179  -0.000386443
 H      2.300555      2.291563     -0.513596    0.00   0.000048773   0.000003421   0.000029841
 H      3.528320      0.408914      0.615794    0.00   0.000038635  -0.000020913  -0.000002184
 H      3.790563      0.384480     -1.130978    0.00   0.000033705   0.000001224  -0.000002719
 H      2.111931     -1.408859     -1.442931    0.00   0.000027317   0.000017196  -0.000026793
 H      3.303083     -1.918268     -0.234199    0.00   0.000014027  -0.000006797  -0.000024954
 H      1.290988      1.217876      1.550003    0.00   0.000042199  -0.000017230   0.000010589
 H      1.733739     -1.441134      1.628600    0.00   0.000009632  -0.000025288  -0.000032066
 H      0.893240     -2.433595      0.433452    0.00   0.000005483   0.000005573  -0.000053671
 H      1.431932      1.142547     -1.543178    0.00   0.000041599   0.000026511   0.000011647
 O     -0.697363     -0.619462      1.473261    0.00   0.000127195   0.000077225  -0.000210203
 C     -0.290171      2.143376      0.403440    0.00   0.000546640   0.000086082   0.000255869
 H     -1.120680      1.962737      1.097663    0.00   0.000069694   0.000037908   0.000053940
 H      0.088617      3.153110      0.596843    0.00   0.000062500   0.000007568  -0.000021754
 H     -0.722669      2.145394     -0.610304    0.00   0.000012191  -0.000017521   0.000037125
 H     -1.186180      0.194244      1.742115    0.00   0.000162108   0.000008161   0.000125072
 O     -0.370441     -0.696206     -0.796425    0.00  -0.000188819   0.000524620   0.000079731
 O     -1.519503      0.124299     -0.924640    0.00  -0.000921350  -0.000472813   0.000774982
 C     -2.606832     -0.604413     -0.381150    0.00  -0.000319143   0.000143724   0.002110104
 H     -2.421028     -1.670090     -0.258603    0.00   0.000085761   0.000235362   0.000554845
 O     -3.567480      0.069301     -0.108190    0.00  -0.001907901  -0.000756933  -0.003151175
26
 Energy =      -0.201407477541
 C      2.481858     -1.198550     -0.417029    0.00   0.000288643   0.000030839  -0.000259835
 C      3.015832      0.239014     -0.351459    0.00   0.000436184  -0.000037614  -0.000040088
 C      1.890502      1.264142     -0.541911    0.00   0.000515579   0.000083284   0.000166249
 C      0.810977      1.098037      0.542253    0.00   0.000489324  -0.000017595   0.000135232
 C      0.277228     -0.348947      0.471757    0.00   0.000262281   0.000092238  -0.000153816
 C      1.351998     -1.436134      0.589174    0.00   0.000180384  -0.000017284  -0.000384279
 H      2.297528      2.291328     -0.515438    0.00   0.000050242   0.000003747   0.000030360
 H      3.525851      0.410168      0.615954    0.00   0.000041899  -0.000020210  -0.000003538
 H      3.788465      0.384394     -1.130757    0.00   0.000034902   0.000001578  -0.000004432
 H      2.110179     -1.409876     -1.441285    0.00   0.000030247   0.000016229  -0.000026576
 H      3.302132     -1.917859     -0.232705    0.00   0.000017045  -0.000006343  -0.000024141
 H      1.288334      1.218954      1.549322    0.00   0.000044509  -0.000018230   0.000011134
 H      1.733069     -1.439641      1.630523    0.00   0.000012199  -0.000023578  -0.000031751
 H      0.892827     -2.433886      0.436702    0.00   0.000008808   0.000005077  -0.000052447
 H      1.429363      1.140916     -1.543879    0.00   0.000042896   0.000026964   0.000011984
 O     -0.697784     -0.619595      1.474336    0.00   0.000061727   0.000041218  -0.000337112
 C     -0.293013      2.142990      0.402099    0.00   0.000559680   0.000064785   0.000266499
 H     -1.124866      1.960546      1.094334    0.00   0.000068983   0.000033327   0.000053116
 H      0.084765      3.152599      0.598040    0.00   0.000061975   0.000006470  -0.000017932
 H     -0.723471      2.146502     -0.612464    0.00   0.000014952  -0.000017923   0.000036644
 H     -1.195481      0.192094      1.733672    0.00   0.000172417   0.000012642   0.000132387
 O     -0.369799     -0.698353     -0.796618    0.00  -0.000139109   0.000600608   0.000016446
 O     -1.515981      0.126068     -0.927758    0.00  -0.000977475  -0.000517428   0.000890000
 C     -2.606459     -0.604553     -0.392215    0.00  -0.000278406   0.000106899   0.002352787
 H     -2.429441     -1.674244     -0.295009    0.00   0.000107294   0.000230226   0.000617620
 O     -3.558611      0.071182     -0.095934    0.00  -0.002107178  -0.000679925  -0.003384513
26
 Energy =      -0.201145311056
 C      2.480417     -1.198695     -0.415803    0.00   0.000319533   0.000030020  -0.000257447
 C      3.013709      0.239184     -0.351247    0.00   0.000459336  -0.000034125  -0.000049419
 C      1.888014      1.263745     -0.542704    0.00   0.000534420   0.000084685   0.000167950
 C      0.808600      1.098137      0.541594    0.00   0.000513786  -0.000025097   0.000142197
 C      0.275918     -0.349367      0.472553    0.00   0.000292465   0.000082944  -0.000177157
 C      1.351074     -1.436057      0.590984    0.00   0.000211683  -0.000015978  -0.000379218
 H      2.294655      2.291095     -0.517160    0.00   0.000051505   0.000004038   0.000030594
 H      3.523396      0.411286      0.616179    0.00   0.000044895  -0.000019462  -0.000004894
 H      3.786464      0.384295     -1.130457    0.00   0.000035971   0.000001910  -0.000006111
 H      2.108401     -1.410760     -1.439783    0.00   0.000032899   0.000015219  -0.000026261
 H      3.301084     -1.917508     -0.231365    0.00   0.000020036  -0.000005889  -0.000023482
 H      1.285756      1.220000      1.548667    0.00   0.000046673  -0.000018977   0.000011585
 H      1.732301     -1.438362      1.632284    0.00   0.000015011  -0.000021765  -0.000031282
 H      0.892253     -2.434130      0.439621    0.00   0.000012257   0.000004535  -0.000050770
 H      1.426922      1.139390     -1.544546    0.00   0.000043973   0.000027237   0.000012220
 O     -0.697946     -0.619584      1.475781    0.00  -0.000001059   0.000003174  -0.000464096
 C     -0.295691      2.142737      0.400816    0.00   0.000569465   0.000042189   0.000274720
 H     -1.128703      1.958787      1.091340    0.00   0.000067933   0.000028335   0.000051678
 H      0.081264      3.152217      0.598931    0.00   0.000060858   0.000005148  -0.000013970
 H     -0.724377      2.147542     -0.614446    0.00   0.000017787  -0.000018205   0.000035953
 H     -1.204608      0.189820      1.725519    0.00   0.000181513   0.000017947   0.000138364
 O     -0.369396     -0.700608     -0.796565    0.00  -0.000082647   0.000677440  -0.000049958
 O     -1.512532      0.127854     -0.931072    0.00  -0.001030004  -0.000558405   0.001017423
 C     -2.606303     -0.604491     -0.403539    0.00  -0.000236364   0.000059531   0.002583198
 H     -2.438355     -1.677571     -0.331886    0.00   0.000129165   0.000220576   0.000677454
 O     -3.549713      0.072617     -0.083824    0.00  -0.002311089  -0.000587026  -0.003609271
26
 Energy =      -0.200863508218
 C      2.478944     -1.198826     -0.414674    0.00   0.000348984   0.000028644  -0.000254893
 C      3.011637      0.239327     -0.351008    0.00   0.000480126  -0.000030840  -0.000058745
 C      1.885622      1.263370     -0.543446    0.00   0.000550917   0.000085703   0.000168170
 C      0.806285      1.098262      0.540952    0.00   0.000536579  -0.000031990   0.000148277
 C      0.274562     -0.349716      0.473393    0.00   0.000323973   0.000072725  -0.000198945
 C      1.350075     -1.435989      0.592639    0.00   0.000243755  -0.000015381  -0.000371683
 H      2.291922      2.290867     -0.518768    0.00   0.000052563   0.000004294   0.000030569
 H      3.520962      0.412286      0.616461    0.00   0.000047589  -0.000018687  -0.000006210
 H      3.784549      0.384187     -1.130092    0.00   0.000036911   0.000002220  -0.000007718
 H      2.106615     -1.411529     -1.438406    0.00   0.000035271   0.000014185  -0.000025865
 H      3.299955     -1.917206     -0.230149    0.00   0.000022963  -0.000005442  -0.000022973
 H      1.283251      1.221006      1.548039    0.00   0.000048664  -0.000019482   0.000011947
 H      1.731436     -1.437269      1.633898    0.00   0.000018002  -0.000019910  -0.000030679
 H      0.891534     -2.434332      0.442239    0.00   0.000015757   0.000003947  -0.000048731
 H      1.424599      1.137960     -1.545178    0.00   0.000044837   0.000027346   0.000012363
 O     -0.697894     -0.619446      1.477541    0.00  -0.000060349  -0.000036149  -0.000589434
 C     -0.298217      2.142602      0.399590    0.00   0.000576122   0.000018780   0.000280702
 H     -1.132224      1.957417      1.088657    0.00   0.000066575   0.000023055   0.000049736
 H      0.078087      3.151951      0.599553    0.00   0.000059232   0.000003664  -0.000009940
 H     -0.725374      2.148521     -0.616264    0.00   0.000020626  -0.000018376   0.000035077
 H     -1.213544      0.187416      1.717677    0.00   0.000189496   0.000023890   0.000143043
 O     -0.369219     -0.702959     -0.796291    0.00  -0.000019745   0.000754118  -0.000119188
 O     -1.509154      0.129647     -0.934597    0.00  -0.001078851  -0.000596089   0.001155056
 C     -2.606334     -0.604211     -0.415042    0.00  -0.000193485   0.000002682   0.002799456
 H     -2.447711     -1.680031     -0.369035    0.00   0.000151152   0.000206987   0.000733795
 O     -3.540770      0.073624     -0.071856    0.00  -0.002517662  -0.000479895  -0.003823186
26
 Energy =      -0.200562580707
 C      2.477446     -1.198941     -0.413627    0.00   0.000376724   0.000026727  -0.000252191
 C      3.009617      0.239448     -0.350747    0.00   0.000498391  -0.000027801  -0.000067828
 C      1.883319      1.263015     -0.544139    0.00   0.000564985   0.000086371   0.000167097
 C      0.804026      1.098406      0.540328    0.00   0.000557462  -0.000038237   0.000153485
 C      0.273161     -0.350000      0.474266    0.00   0.000356346   0.000061769  -0.000219176
 C      1.349006     -1.435926      0.594154    0.00   0.000276063  -0.000015566  -0.000362058
 H      2.289316      2.290642     -0.520266    0.00   0.000053416   0.000004514   0.000030313
 H      3.518560      0.413184      0.616790    0.00   0.000049956  -0.000017902  -0.000007455
 H      3.782713      0.384070     -1.129673    0.00   0.000037719   0.000002510  -0.000009223
 H      2.104833     -1.412198     -1.437139    0.00   0.000037363   0.000013136  -0.000025402
 H      3.298757     -1.916945     -0.229031    0.00   0.000025795  -0.000005009  -0.000022601
 H      1.280812      1.221969      1.547436    0.00   0.000050463  -0.000019766   0.000012225
 H      1.730477     -1.436337      1.635380    0.00   0.000021109  -0.000018066  -0.000029962
 H      0.890687     -2.434494      0.444582    0.00   0.000019245   0.000003317  -0.000046408
 H      1.422387      1.136619     -1.545776    0.00   0.000045488   0.000027305   0.000012424
 O     -0.697669     -0.619195      1.479572    0.00  -0.000115663  -0.000076151  -0.000711754
 C     -0.300604      2.142573      0.398422    0.00   0.000579802  -0.000004988   0.000284631
 H     -1.135457      1.956396      1.086259    0.00   0.000064938   0.000017593   0.000047385
 H      0.075209      3.151788      0.599939    0.00   0.000057178   0.000002072  -0.000005901
 H     -0.726450      2.149441     -0.617929    0.00   0.000023419  -0.000018435   0.000034037
 H     -1.222284      0.184880      1.710157    0.00   0.000196450   0.000030311   0.000146491
 O     -0.369259     -0.705397     -0.795815    0.00   0.000049242   0.000829763  -0.000190990
 O     -1.505843      0.131440     -0.938339    0.00  -0.001123968  -0.000630696   0.001300607
 C     -2.606528     -0.603706     -0.426661    0.00  -0.000149956  -0.000062510   0.003000352
 H     -2.457464     -1.681601     -0.406303    0.00   0.000173124   0.000190008   0.000786306
 O     -3.531772      0.074220     -0.060026    0.00  -0.002725092  -0.000360270  -0.004024404
26
 Energy =      -0.200243170199
 C      2.475931     -1.199041     -0.412651    0.00   0.000402523   0.000024287  -0.000249343
 C      3.007647      0.239551     -0.350466    0.00   0.000514014  -0.000025033  -0.000076476
 C      1.881100      1.262678     -0.544785    0.00   0.000576559   0.000086700   0.000164897
 C      0.801822      1.098565      0.539721    0.00   0.000576226  -0.000043827   0.000157841
 C      0.271714     -0.350225      0.475165    0.00   0.000389116   0.000050226  -0.000237862
 C      1.347874     -1.435864      0.595540    0.00   0.000308103  -0.000016566  -0.000350701
 H      2.286827      2.290423     -0.521661    0.00   0.000054064   0.000004700   0.000029853
 H      3.516195      0.413994      0.617155    0.00   0.000051983  -0.000017119  -0.000008608
 H      3.780949      0.383948     -1.129212    0.00   0.000038391   0.000002780  -0.000010604
 H      2.103063     -1.412780     -1.435969    0.00   0.000039178   0.000012083  -0.000024886
 H      3.297500     -1.916720     -0.227993    0.00   0.000028505  -0.000004596  -0.000022349
 H      1.278437      1.222884      1.546858    0.00   0.000052052  -0.000019852   0.000012426
 H      1.729428     -1.435544      1.636742    0.00   0.000024268  -0.000016273  -0.000029148
 H      0.889728     -2.434619      0.446677    0.00   0.000022666   0.000002647  -0.000043871
 H      1.420276      1.135361     -1.546342    0.00   0.000045935   0.000027126   0.000012411
 O     -0.697300     -0.618842      1.481835    0.00  -0.000166747  -0.000116336  -0.000829950
 C     -0.302861      2.142638      0.397310    0.00   0.000580681  -0.000028717   0.000286696
 H     -1.138428      1.955688      1.084123    0.00   0.000063046   0.000012045   0.000044707
 H      0.072604      3.151717      0.600119    0.00   0.000054774   0.000000419  -0.000001896
 H     -0.727594      2.150308     -0.619454    0.00   0.000026127  -0.000018381   0.000032855
 H     -1.230826      0.182211      1.702964    0.00   0.000202445   0.000037063   0.000148794
 O     -0.369508     -0.707911     -0.795153    0.00   0.000123874   0.000903590  -0.000265094
 O     -1.502594      0.133228     -0.942301    0.00  -0.001165325  -0.000662304   0.001451780
 C     -2.606869     -0.602969     -0.438344    0.00  -0.000105803  -0.000134878   0.003185142
 H     -2.467583     -1.682272     -0.443571    0.00   0.000195011   0.000170154   0.000834798
 O     -3.522706      0.074424     -0.048334    0.00  -0.002931666  -0.000229938  -0.004211412
26
 Energy =      -0.199906017889
 C      2.474404     -1.199126     -0.411738    0.00   0.000426196   0.000021359  -0.000246349
 C      3.005729      0.239639     -0.350169    0.00   0.000526908  -0.000022567  -0.000084546
 C      1.878959      1.262359     -0.545387    0.00   0.000585611   0.000086695   0.000161722
 C      0.799668      1.098735      0.539131    0.00   0.000592680  -0.000048767   0.000161368
 C      0.270223     -0.350394      0.476082    0.00   0.000421816   0.000038232  -0.000255056
 C      1.346685     -1.435801      0.596808    0.00   0.000339392  -0.000018382  -0.000337938
 H      2.284445      2.290208     -0.522958    0.00   0.000054508   0.000004849   0.000029216
 H      3.513875      0.414727      0.617551    0.00   0.000053663  -0.000016343  -0.000009658
 H      3.779252      0.383821     -1.128718    0.00   0.000038923   0.000003030  -0.000011841
 H      2.101312     -1.413285     -1.434885    0.00   0.000040718   0.000011029  -0.000024327
 H      3.296193     -1.916524     -0.227017    0.00   0.000031072  -0.000004207  -0.000022196
 H      1.276122      1.223752      1.546305    0.00   0.000053415  -0.000019765   0.000012559
 H      1.728297     -1.434870      1.637998    0.00   0.000027420  -0.000014565  -0.000028255
 H      0.888672     -2.434708      0.448546    0.00   0.000025971   0.000001944  -0.000041180
 H      1.418261      1.134180     -1.546877    0.00   0.000046181   0.000026816   0.000012329
 O     -0.696815     -0.618399      1.484297    0.00  -0.000213511  -0.000156309  -0.000943092
 C     -0.304998      2.142787      0.396252    0.00   0.000578960  -0.000052054   0.000287084
 H     -1.141159      1.955260      1.082227    0.00   0.000060930   0.000006501   0.000041768
 H      0.070251      3.151728      0.600115    0.00   0.000052089  -0.000001259   0.000002042
 H     -0.728797      2.151124     -0.620849    0.00   0.000028718  -0.000018202   0.000031555
 H     -1.239172      0.179410      1.696093    0.00   0.000207532   0.000044017   0.000150034
 O     -0.369958     -0.710493     -0.794317    0.00   0.000203633   0.000974859  -0.000341194
 O     -1.499405      0.135007     -0.946480    0.00  -0.001202916  -0.000690828   0.001606355
 C     -2.607343     -0.602002     -0.450051    0.00  -0.000060950  -0.000213286   0.003353380
 H     -2.478044     -1.682044     -0.480745    0.00   0.000216795   0.000147886   0.000879196
 O     -3.513566      0.074251     -0.036778    0.00  -0.003135752  -0.000090682  -0.004382978
26
 Energy =      -0.199551949982
 C      2.472871     -1.199196     -0.410879    0.00   0.000447572   0.000017977  -0.000243187
 C      3.003862      0.239714     -0.349859    0.00   0.000537057  -0.000020414  -0.000091929
 C      1.876893      1.262056     -0.545948    0.00   0.000592107   0.000086352   0.000157715
 C      0.797564      1.098913      0.538558    0.00   0.000606684  -0.000053115   0.000164082
 C      0.268688     -0.350514      0.477013    0.00   0.000453968   0.000025916  -0.000270801
 C      1.345444     -1.435732      0.597969    0.00   0.000369520  -0.000021018  -0.000324079
 H      2.282163      2.289999     -0.524163    0.00   0.000054747   0.000004964   0.000028426
 H      3.511602      0.415393      0.617970    0.00   0.000054992  -0.000015587  -0.000010589
 H      3.777617      0.383689     -1.128198    0.00   0.000039313   0.000003256  -0.000012936
 H      2.099586     -1.413723     -1.433877    0.00   0.000041997   0.000009983  -0.000023729
 H      3.294846     -1.916354     -0.226093    0.00   0.000033468  -0.000003844  -0.000022129
 H      1.273867      1.224572      1.545775    0.00   0.000054543  -0.000019532   0.000012623
 H      1.727089     -1.434298      1.639155    0.00   0.000030517  -0.000012962  -0.000027296
 H      0.887530     -2.434765      0.450212    0.00   0.000029117   0.000001207  -0.000038394
 H      1.416335      1.133071     -1.547382    0.00   0.000046231   0.000026389   0.000012190
 O     -0.696236     -0.617875      1.486931    0.00  -0.000255967  -0.000195714  -0.001050407
 C     -0.307021      2.143008      0.395245    0.00   0.000574816  -0.000074658   0.000285961
 H     -1.143670      1.955083      1.080552    0.00   0.000058612   0.000001030   0.000038637
 H      0.068129      3.151812      0.599950    0.00   0.000049196  -0.000002926   0.000005888
 H     -0.730048      2.151890     -0.622124    0.00   0.000031175  -0.000017900   0.000030149
 H     -1.247325      0.176481      1.689541    0.00   0.000211750   0.000051056   0.000150299
 O     -0.370603     -0.713136     -0.793319    0.00   0.000287913   0.001042914  -0.000418933
 O     -1.496272      0.136774     -0.950871    0.00  -0.001236724  -0.000716087   0.001762226
 C     -2.607939     -0.600803     -0.461749    0.00  -0.000015281  -0.000296665   0.003504814
 H     -2.488835     -1.680923     -0.517755    0.00   0.000238468   0.000123633   0.000919488
 O     -3.504347      0.073719     -0.025360    0.00  -0.003335791   0.000055745  -0.004538089
26
 Energy =      -0.199181867703
 C      2.471337     -1.199250     -0.410068    0.00   0.000466540   0.000014185  -0.000239854
 C      3.002046      0.239779     -0.349539    0.00   0.000544439  -0.000018583  -0.000098558
 C      1.874899      1.261767     -0.546470    0.00   0.000596069   0.000085665   0.000152990
 C      0.795508      1.099097      0.538002    0.00   0.000618103  -0.000056907   0.000165977
 C      0.267114     -0.350587      0.477953    0.00   0.000485128   0.000013367  -0.000285108
 C      1.344159     -1.435657      0.599032    0.00   0.000398082  -0.000024421  -0.000309402
 H      2.279974      2.289796     -0.525281    0.00   0.000054786   0.000005039   0.000027508
 H      3.509382      0.416001      0.618405    0.00   0.000055976  -0.000014855  -0.000011400
 H      3.776040      0.383555     -1.127661    0.00   0.000039558   0.000003460  -0.000013873
 H      2.097889     -1.414100     -1.432938    0.00   0.000043022   0.000008951  -0.000023107
 H      3.293465     -1.916206     -0.225210    0.00   0.000035681  -0.000003511  -0.000022121
 H      1.271669      1.225344      1.545267    0.00   0.000055428  -0.000019178   0.000012625
 H      1.725812     -1.433812      1.640224    0.00   0.000033503  -0.000011490  -0.000026288
 H      0.886315     -2.434789      0.451693    0.00   0.000032071   0.000000446  -0.000035560
 H      1.414495      1.132029     -1.547860    0.00   0.000046093   0.000025856   0.000011994
 O     -0.695578     -0.617277      1.489711    0.00  -0.000294189  -0.000234253  -0.001151222
 C     -0.308940      2.143295      0.394288    0.00   0.000568470  -0.000096270   0.000283495
 H     -1.145978      1.955129      1.079079    0.00   0.000056118  -0.000004299   0.000035358
 H      0.066219      3.151959      0.599641    0.00   0.000046152  -0.000004558   0.000009621
 H     -0.731342      2.152608     -0.623289    0.00   0.000033478  -0.000017454   0.000028662
 H     -1.255290      0.173428      1.683298    0.00   0.000215128   0.000058081   0.000149679
 O     -0.371439     -0.715830     -0.792165    0.00   0.000375985   0.001107150  -0.000497924
 O     -1.493192      0.138525     -0.955465    0.00  -0.001266707  -0.000737820   0.001917416
 C     -2.608652     -0.599378     -0.473410    0.00   0.000031327  -0.000383988   0.003639316
 H     -2.499949     -1.678918     -0.554545    0.00   0.000260031   0.000097765   0.000955706
 O     -3.495045      0.072841     -0.014082    0.00  -0.003530272   0.000207620  -0.004675931
26
 Energy =      -0.198796741374
 C      2.469805     -1.199290     -0.409300    0.00   0.000482999   0.000010037  -0.000236343
 C      3.000282      0.239837     -0.349212    0.00   0.000549093  -0.000017081  -0.000104371
 C      1.872974      1.261493     -0.546955    0.00   0.000597515   0.000084625   0.000147644
 C      0.793500      1.099286      0.537464    0.00   0.000626851  -0.000060215   0.000167068
 C      0.265503     -0.350617      0.478901    0.00   0.000514872   0.000000720  -0.000298077
 C      1.342835     -1.435572      0.600005    0.00   0.000424730  -0.000028546  -0.000294177
 H      2.277874      2.289600     -0.526319    0.00   0.000054626   0.000005082   0.000026481
 H      3.507218      0.416558      0.618853    0.00   0.000056618  -0.000014147  -0.000012088
 H      3.774517      0.383419     -1.127111    0.00   0.000039659   0.000003642  -0.000014656
 H      2.096224     -1.414423     -1.432060    0.00   0.000043802   0.000007935  -0.000022463
 H      3.292056     -1.916076     -0.224360    0.00   0.000037694  -0.000003207  -0.000022153
 H      1.269528      1.226071      1.544781    0.00   0.000056064  -0.000018729   0.000012566
 H      1.724473     -1.433399      1.641213    0.00   0.000036337  -0.000010154  -0.000025245
 H      0.885038     -2.434784      0.453007    0.00   0.000034804  -0.000000336  -0.000032720
 H      1.412734      1.131050     -1.548312    0.00   0.000045777   0.000025222   0.000011748
 O     -0.694859     -0.616612      1.492617    0.00  -0.000328285  -0.000271644  -0.001244926
 C     -0.310759      2.143638      0.393379    0.00   0.000560118  -0.000116630   0.000279839
 H     -1.148097      1.955375      1.077792    0.00   0.000053472  -0.000009433   0.000031981
 H      0.064503      3.152164      0.599204    0.00   0.000043014  -0.000006131   0.000013227
 H     -0.732672      2.153277     -0.624352    0.00   0.000035620  -0.000016866   0.000027105
 H     -1.263070      0.170258      1.677356    0.00   0.000217679   0.000064994   0.000148246
 O     -0.372460     -0.718568     -0.790865    0.00   0.000467018   0.001166885  -0.000577618
 O     -1.490163      0.140257     -0.960255    0.00  -0.001292907  -0.000755573   0.002070057
 C     -2.609476     -0.597728     -0.485014    0.00   0.000078987  -0.000474298   0.003756862
 H     -2.511385     -1.676040     -0.591074    0.00   0.000281513   0.000070607   0.000987912
 O     -3.485659      0.071632     -0.002946    0.00  -0.003717667   0.000363243  -0.004795899
26
 Energy =      -0.198397606951
 C      2.468280     -1.199315     -0.408570    0.00   0.000496882   0.000005590  -0.000232635
 C      2.998569      0.239888     -0.348879    0.00   0.000551067  -0.000015895  -0.000109360
 C      1.871116      1.261231     -0.547406    0.00   0.000596492   0.000083222   0.000141781
 C      0.791539      1.099477      0.536942    0.00   0.000632874  -0.000063064   0.000167337
 C      0.263858     -0.350606      0.479854    0.00   0.000542765  -0.000011971  -0.000309740
 C      1.341477     -1.435476      0.600895    0.00   0.000449173  -0.000033343  -0.000278645
 H      2.275856      2.289409     -0.527280    0.00   0.000054268   0.000005083   0.000025363
 H      3.505112      0.417069      0.619309    0.00   0.000056928  -0.000013470  -0.000012646
 H      3.773048      0.383281     -1.126555    0.00   0.000039618   0.000003796  -0.000015287
 H      2.094592     -1.414698     -1.431237    0.00   0.000044351   0.000006937  -0.000021803
 H      3.290627     -1.915961     -0.223539    0.00   0.000039489  -0.000002932  -0.000022215
 H      1.267443      1.226754      1.544316    0.00   0.000056449  -0.000018211   0.000012454
 H      1.723079     -1.433048      1.642128    0.00   0.000038980  -0.000008963  -0.000024178
 H      0.883708     -2.434750      0.454171    0.00   0.000037286  -0.000001135  -0.000029918
 H      1.411051      1.130131     -1.548738    0.00   0.000045293   0.000024503   0.000011457
 O     -0.694088     -0.615887      1.495630    0.00  -0.000358399  -0.000307620  -0.001331012
 C     -0.312486      2.144030      0.392514    0.00   0.000549973  -0.000135554   0.000275136
 H     -1.150043      1.955798      1.076678    0.00   0.000050699  -0.000014318   0.000028540
 H      0.062965      3.152420      0.598651    0.00   0.000039830  -0.000007630   0.000016692
 H     -0.734031      2.153899     -0.625320    0.00   0.000037588  -0.000016119   0.000025500
 H     -1.270671      0.166977      1.671706    0.00   0.000219429   0.000071711   0.000146084
 O     -0.373661     -0.721344     -0.789423    0.00   0.000560104   0.001221601  -0.000657490
 O     -1.487181      0.141967     -0.965230    0.00  -0.001315285  -0.000768946   0.002218455
 C     -2.610410     -0.595858     -0.496542    0.00   0.000127762  -0.000566711   0.003857465
 H     -2.523147     -1.672300     -0.627313    0.00   0.000302908   0.000042453   0.001016169
 O     -3.476189      0.070108      0.008045    0.00  -0.003896522   0.000520985  -0.004897507
26
 Energy =      -0.197985563784
 C      2.466765     -1.199325     -0.407875    0.00   0.000508139   0.000000905  -0.000228736
 C      2.996909      0.239935     -0.348543    0.00   0.000550437  -0.000015028  -0.000113491
 C      1.869323      1.260983     -0.547824    0.00   0.000593070   0.000081461   0.000135470
 C      0.789626      1.099671      0.536436    0.00   0.000636123  -0.000065557   0.000166780
 C      0.262184     -0.350559      0.480811    0.00   0.000568456  -0.000024601  -0.000320139
 C      1.340092     -1.435368      0.601711    0.00   0.000471115  -0.000038719  -0.000263035
 H      2.273919      2.289226     -0.528170    0.00   0.000053720   0.000005049   0.000024174
 H      3.503067      0.417541      0.619769    0.00   0.000056922  -0.000012820  -0.000013087
 H      3.771628      0.383143     -1.125996    0.00   0.000039435   0.000003923  -0.000015769
 H      2.092996     -1.414928     -1.430464    0.00   0.000044680   0.000005966  -0.000021137
 H      3.289182     -1.915859     -0.222741    0.00   0.000041062  -0.000002689  -0.000022283
 H      1.265415      1.227397      1.543871    0.00   0.000056583  -0.000017646   0.000012286
 H      1.721638     -1.432747      1.642976    0.00   0.000041394  -0.000007925  -0.000023103
 H      0.882336     -2.434688      0.455199    0.00   0.000039505  -0.000001945  -0.000027186
 H      1.409440      1.129268     -1.549140    0.00   0.000044651   0.000023702   0.000011121
 O     -0.693278     -0.615106      1.498732    0.00  -0.000384671  -0.000341918  -0.001409027
 C     -0.314125      2.144464      0.391692    0.00   0.000538222  -0.000152854   0.000269520
 H     -1.151826      1.956379      1.075723    0.00   0.000047819  -0.000018921   0.000025072
 H      0.061590      3.152719      0.597993    0.00   0.000036650  -0.000009039   0.000020014
 H     -0.735415      2.154471     -0.626200    0.00   0.000039383  -0.000015211   0.000023856
 H     -1.278094      0.163591      1.666336    0.00   0.000220387   0.000078150   0.000143271
 O     -0.375038     -0.724150     -0.787846    0.00   0.000654237   0.001270734  -0.000736913
 O     -1.484245      0.143648     -0.970380    0.00  -0.001333850  -0.000777430   0.002361028
 C     -2.611452     -0.593773     -0.507978    0.00   0.000177690  -0.000660402   0.003941200
 H     -2.535243     -1.667708     -0.663237    0.00   0.000324215   0.000013561   0.001040553
 O     -3.466635      0.068280      0.018888    0.00  -0.004065374   0.000679253  -0.004980441
26
 Energy =      -0.197561772979
 C      2.465263     -1.199321     -0.407211    0.00   0.000516757  -0.000003962  -0.000224642
 C      2.995300      0.239978     -0.348205    0.00   0.000547288  -0.000014460  -0.000116786
 C      1.867593      1.260748     -0.548212    0.00   0.000587329   0.000079337   0.000128770
 C      0.787760      1.099866      0.535948    0.00   0.000636589  -0.000067742   0.000165383
 C      0.260485     -0.350476      0.481769    0.00   0.000591588  -0.000037106  -0.000329317
 C      1.338685     -1.435246      0.602459    0.00   0.000490344  -0.000044601  -0.000247554
 H      2.272057      2.289050     -0.528992    0.00   0.000052989   0.000004978   0.000022936
 H      3.501085      0.417977      0.620229    0.00   0.000056611  -0.000012205  -0.000013407
 H      3.770257      0.383005     -1.125438    0.00   0.000039116   0.000004024  -0.000016101
 H      2.091436     -1.415119     -1.429736    0.00   0.000044801   0.000005025  -0.000020466
 H      3.287726     -1.915768     -0.221963    0.00   0.000042401  -0.000002474  -0.000022344
 H      1.263443      1.228001      1.543446    0.00   0.000056468  -0.000017059   0.000012064
 H      1.720158     -1.432489      1.643763    0.00   0.000043548  -0.000007038  -0.000022028
 H      0.880929     -2.434600      0.456105    0.00   0.000041441  -0.000002759  -0.000024551
 H      1.407899      1.128458     -1.549519    0.00   0.000043863   0.000022836   0.000010742
 O     -0.692435     -0.614276      1.501911    0.00  -0.000407259  -0.000374301  -0.001478587
 C     -0.315683      2.144935      0.390911    0.00   0.000525063  -0.000168402   0.000263113
 H     -1.153457      1.957099      1.074915    0.00   0.000044858  -0.000023207   0.000021605
 H      0.060363      3.153058      0.597241    0.00   0.000033509  -0.000010348   0.000023182
 H     -0.736821      2.154993     -0.626997    0.00   0.000040998  -0.000014136   0.000022191
 H     -1.285345      0.160108      1.661237    0.00   0.000220576   0.000084251   0.000139886
 O     -0.376584     -0.726979     -0.786139    0.00   0.000748322   0.001313829  -0.000815226
 O     -1.481352      0.145297     -0.975694    0.00  -0.001348560  -0.000780539   0.002496339
 C     -2.612602     -0.591477     -0.519312    0.00   0.000228746  -0.000754615   0.004008159
 H     -2.547685     -1.662275     -0.698832    0.00   0.000345412  -0.000015836   0.001061137
 O     -3.456999      0.066164      0.029581    0.00  -0.004222800   0.000836510  -0.005044500
26
 Energy =      -0.197127455964
 C      2.463776     -1.199303     -0.406574    0.00   0.000522725  -0.000008940  -0.000220345
 C      2.993742      0.240019     -0.347868    0.00   0.000541736  -0.000014175  -0.000119252
 C      1.865925      1.260524     -0.548570    0.00   0.000579356   0.000076853   0.000121751
 C      0.785942      1.100062      0.535476    0.00   0.000634286  -0.000069683   0.000163129
 C      0.258764     -0.350360      0.482728    0.00   0.000611846  -0.000049402  -0.000337335
 C      1.337261     -1.435109      0.603144    0.00   0.000506655  -0.000050896  -0.000232393
 H      2.270268      2.288882     -0.529752    0.00   0.000052081   0.000004872   0.000021658
 H      3.499166      0.418382      0.620688    0.00   0.000056012  -0.000011620  -0.000013612
 H      3.768932      0.382866     -1.124885    0.00   0.000038663   0.000004096  -0.000016297
 H      2.089914     -1.415274     -1.429049    0.00   0.000044727   0.000004115  -0.000019796
 H      3.286264     -1.915686     -0.221202    0.00   0.000043499  -0.000002288  -0.000022383
 H      1.261526      1.228571      1.543039    0.00   0.000056109  -0.000016469   0.000011789
 H      1.718644     -1.432265      1.644495    0.00   0.000045417  -0.000006298  -0.000020966
 H      0.879495     -2.434487      0.456901    0.00   0.000043085  -0.000003573  -0.000022042
 H      1.406424      1.127698     -1.549875    0.00   0.000042941   0.000021910   0.000010324
 O     -0.691567     -0.613400      1.505151    0.00  -0.000426309  -0.000404524  -0.001539365
 C     -0.317163      2.145436      0.390167    0.00   0.000510678  -0.000182090   0.000256031
 H     -1.154946      1.957943      1.074245    0.00   0.000041836  -0.000027151   0.000018167
 H      0.059271      3.153431      0.596402    0.00   0.000030445  -0.000011547   0.000026193
 H     -0.738245      2.155462     -0.627718    0.00   0.000042433  -0.000012894   0.000020517
 H     -1.292427      0.156535      1.656397    0.00   0.000220017   0.000089945   0.000136004
 O     -0.378295     -0.729824     -0.784307    0.00   0.000841206   0.001350388  -0.000891714
 O     -1.478500      0.146906     -0.981162    0.00  -0.001359418  -0.000777729   0.002623080
 C     -2.613861     -0.588973     -0.530531    0.00   0.000280876  -0.000848649   0.004058494
 H     -2.560486     -1.656006     -0.734087    0.00   0.000366473  -0.000045526   0.001077992
 O     -3.447284      0.063770      0.040121    0.00  -0.004367374   0.000991276  -0.005089630
26
 Energy =      -0.196683893073
 C      2.462307     -1.199271     -0.405964    0.00   0.000526059  -0.000013969  -0.000215850
 C      2.992235      0.240059     -0.347531    0.00   0.000533897  -0.000014154  -0.000120909
 C      1.864317      1.260313     -0.548901    0.00   0.000569260   0.000074018   0.000114460
 C      0.784172      1.100259      0.535022    0.00   0.000629241  -0.000071448   0.000160010
 C      0.257027     -0.350212      0.483689    0.00   0.000628952  -0.000061422  -0.000344237
 C      1.335826     -1.434958      0.603774    0.00   0.000519887  -0.000057507  -0.000217716
 H      2.268551      2.288721     -0.530453    0.00   0.000051001   0.000004734   0.000020359
 H      3.497312      0.418760      0.621142    0.00   0.000055141  -0.000011065  -0.000013709
 H      3.767652      0.382729     -1.124340    0.00   0.000038082   0.000004140  -0.000016360
 H      2.088429     -1.415396     -1.428398    0.00   0.000044470   0.000003241  -0.000019130
 H      3.284800     -1.915611     -0.220456    0.00   0.000044352  -0.000002129  -0.000022388
 H      1.259666      1.229110      1.542652    0.00   0.000055511  -0.000015894   0.000011461
 H      1.717105     -1.432068      1.645177    0.00   0.000046976  -0.000005700  -0.000019926
 H      0.878040     -2.434348      0.457599    0.00   0.000044430  -0.000004381  -0.000019677
 H      1.405012      1.126986     -1.550210    0.00   0.000041898   0.000020935   0.000009867
 O     -0.690680     -0.612484      1.508441    0.00  -0.000441976  -0.000432364  -0.001591102
 C     -0.318571      2.145962      0.389460    0.00   0.000495239  -0.000193839   0.000248381
 H     -1.156303      1.958895      1.073702    0.00   0.000038774  -0.000030734   0.000014783
 H      0.058303      3.153833      0.595482    0.00   0.000027487  -0.000012632   0.000029042
 H     -0.739683      2.155878     -0.628369    0.00   0.000043685  -0.000011485   0.000018846
 H     -1.299344      0.152879      1.651806    0.00   0.000218735   0.000095184   0.000131706
 O     -0.380164     -0.732679     -0.782355    0.00   0.000931686   0.001380014  -0.000965650
 O     -1.475688      0.148469     -0.986772    0.00  -0.001366398  -0.000768501   0.002740061
 C     -2.615233     -0.586266     -0.541629    0.00   0.000333963  -0.000941857   0.004092368
 H     -2.573660     -1.648906     -0.768995    0.00   0.000387347  -0.000075315   0.001091180
 O     -3.437494      0.061110      0.050505    0.00  -0.004497701   0.001142130  -0.005115870
26
 Energy =      -0.196232422091
 C      2.460858     -1.199226     -0.405376    0.00   0.000526784  -0.000018980  -0.000211153
 C      2.990780      0.240098     -0.347197    0.00   0.000523900  -0.000014373  -0.000121787
 C      1.862768      1.260114     -0.549206    0.00   0.000557155   0.000070844   0.000106948
 C      0.782451      1.100458      0.534586    0.00   0.000621509  -0.000073086   0.000156016
 C      0.255279     -0.350035      0.484649    0.00   0.000642653  -0.000073105  -0.000350066
 C      1.334383     -1.434790      0.604353    0.00   0.000529919  -0.000064334  -0.000203668
 H      2.266901      2.288568     -0.531098    0.00   0.000049762   0.000004563   0.000019050
 H      3.495523      0.419114      0.621590    0.00   0.000054018  -0.000010540  -0.000013704
 H      3.766416      0.382594     -1.123803    0.00   0.000037379   0.000004154  -0.000016299
 H      2.086981     -1.415488     -1.427781    0.00   0.000044042   0.000002408  -0.000018473
 H      3.283337     -1.915543     -0.219723    0.00   0.000044959  -0.000001996  -0.000022347
 H      1.257861      1.229620      1.542283    0.00   0.000054681  -0.000015354   0.000011082
 H      1.715547     -1.431892      1.645813    0.00   0.000048209  -0.000005235  -0.000018916
 H      0.876572     -2.434186      0.458211    0.00   0.000045471  -0.000005178  -0.000017475
 H      1.403662      1.126319     -1.550523    0.00   0.000040745   0.000019921   0.000009374
 O     -0.689778     -0.611530      1.511770    0.00  -0.000454408  -0.000457610  -0.001633603
 C     -0.319910      2.146509      0.388787    0.00   0.000478912  -0.000203603   0.000240263
 H     -1.157534      1.959942      1.073278    0.00   0.000035691  -0.000033943   0.000011471
 H      0.057446      3.154261      0.594487    0.00   0.000024659  -0.000013596   0.000031726
 H     -0.741134      2.156238     -0.628952    0.00   0.000044753  -0.000009913   0.000017189
 H     -1.306098      0.149148      1.647451    0.00   0.000216763   0.000099928   0.000127070
 O     -0.382184     -0.735537     -0.780287    0.00   0.001018510   0.001402361  -0.001036284
 O     -1.472914      0.149979     -0.992516    0.00  -0.001369458  -0.000752390   0.002846195
 C     -2.616718     -0.583359     -0.552597    0.00   0.000387837  -0.001033642   0.004109978
 H     -2.587227     -1.640976     -0.803551    0.00   0.000407966  -0.000105018   0.001100763
 O     -3.427632      0.058197      0.060731    0.00  -0.004612410   0.001287717  -0.005123352
26
 Energy =      -0.195774436887
 C      2.459432     -1.199169     -0.404810    0.00   0.000524945  -0.000023913  -0.000206255
 C      2.989375      0.240137     -0.346867    0.00   0.000511881  -0.000014802  -0.000121920
 C      1.861276      1.259926     -0.549486    0.00   0.000543164   0.000067349   0.000099264
 C      0.780779      1.100658      0.534167    0.00   0.000611156  -0.000074657   0.000151141
 C      0.253522     -0.349830      0.485610    0.00   0.000652750  -0.000084392  -0.000354862
 C      1.332938     -1.434606      0.604887    0.00   0.000536648  -0.000071267  -0.000190371
 H      2.265317      2.288424     -0.531693    0.00   0.000048369   0.000004364   0.000017746
 H      3.493800      0.419446      0.622030    0.00   0.000052660  -0.000010043  -0.000013603
 H      3.765222      0.382460     -1.123279    0.00   0.000036559   0.000004139  -0.000016122
 H      2.085570     -1.415553     -1.427193    0.00   0.000043454   0.000001617  -0.000017826
 H      3.281880     -1.915479     -0.219003    0.00   0.000045314  -0.000001887  -0.000022249
 H      1.256113      1.230106      1.541932    0.00   0.000053629  -0.000014861   0.000010651
 H      1.713977     -1.431732      1.646408    0.00   0.000049101  -0.000004893  -0.000017944
 H      0.875096     -2.434001      0.458745    0.00   0.000046208  -0.000005957  -0.000015445
 H      1.402369      1.125694     -1.550816    0.00   0.000039495   0.000018878   0.000008845
 O     -0.688867     -0.610542      1.515128    0.00  -0.000463751  -0.000480061  -0.001666729
 C     -0.321185      2.147072      0.388146    0.00   0.000461847  -0.000211355   0.000231766
 H     -1.158647      1.961072      1.072965    0.00   0.000032607  -0.000036767   0.000008255
 H      0.056690      3.154712      0.593423    0.00   0.000021984  -0.000014439   0.000034241
 H     -0.742596      2.156539     -0.629474    0.00   0.000045636  -0.000008185   0.000015559
 H     -1.312694      0.145348      1.643321    0.00   0.000214139   0.000104142   0.000122177
 O     -0.384348     -0.738391     -0.778109    0.00   0.001100401   0.001417131  -0.001102859
 O     -1.470177      0.151426     -0.998383    0.00  -0.001368556  -0.000728975   0.002940505
 C     -2.618321     -0.580253     -0.563429    0.00   0.000442264  -0.001123444   0.004111539
 H     -2.601204     -1.632214     -0.837755    0.00   0.000428245  -0.000134459   0.001106792
 O     -3.417703      0.055041      0.070797    0.00  -0.004710149   0.001426738  -0.005112298
26
 Energy =      -0.195311386163
 C      2.458029     -1.199098     -0.404264    0.00   0.000520592  -0.000028700  -0.000201146
 C      2.988021      0.240178     -0.346541    0.00   0.000497984  -0.000015419  -0.000121342
 C      1.859840      1.259751     -0.549742    0.00   0.000527414   0.000063555   0.000091454
 C      0.779156      1.100860      0.533768    0.00   0.000598266  -0.000076200   0.000145390
 C      0.251763     -0.349597      0.486572    0.00   0.000659060  -0.000095223  -0.000358665
 C      1.331495     -1.434406      0.605380    0.00   0.000540021  -0.000078200  -0.000177922
 H      2.263797      2.288288     -0.532239    0.00   0.000046834   0.000004137   0.000016457
 H      3.492143      0.419760      0.622460    0.00   0.000051088  -0.000009572  -0.000013413
 H      3.764068      0.382328     -1.122768    0.00   0.000035630   0.000004096  -0.000015839
 H      2.084197     -1.415592     -1.426632    0.00   0.000042716   0.000000873  -0.000017191
 H      3.280432     -1.915420     -0.218295    0.00   0.000045421  -0.000001800  -0.000022088
 H      1.254420      1.230573      1.541601    0.00   0.000052362  -0.000014431   0.000010170
 H      1.712401     -1.431582      1.646967    0.00   0.000049642  -0.000004662  -0.000017014
 H      0.873617     -2.433793      0.459212    0.00   0.000046643  -0.000006713  -0.000013599
 H      1.401132      1.125110     -1.551088    0.00   0.000038161   0.000017816   0.000008283
 O     -0.687949     -0.609524      1.518506    0.00  -0.000470144  -0.000499541  -0.001690398
 C     -0.322399      2.147647      0.387535    0.00   0.000444184  -0.000217092   0.000222978
 H     -1.159649      1.962274      1.072756    0.00   0.000029541  -0.000039202   0.000005150
 H      0.056024      3.155182      0.592293    0.00   0.000019478  -0.000015159   0.000036578
 H     -0.744067      2.156780     -0.629937    0.00   0.000046333  -0.000006313   0.000013965
 H     -1.319135      0.141485      1.639403    0.00   0.000210904   0.000107805   0.000117103
 O     -0.386648     -0.741234     -0.775825    0.00   0.001176077   0.001424091  -0.001164622
 O     -1.467476      0.152803     -1.004362    0.00  -0.001363632  -0.000697906   0.003022102
 C     -2.620046     -0.576950     -0.574120    0.00   0.000496947  -0.001210738   0.004097284
 H     -2.615610     -1.622615     -0.871604    0.00   0.000448073  -0.000163464   0.001109313
 O     -3.407714      0.051652      0.080702    0.00  -0.004789594   0.001557960  -0.005082990
26
 Energy =      -0.194844772518
 C      2.456652     -1.199016     -0.403736    0.00   0.000513793  -0.000033279  -0.000195827
 C      2.986716      0.240220     -0.346219    0.00   0.000482359  -0.000016187  -0.000120092
 C      1.858459      1.259587     -0.549975    0.00   0.000510039   0.000059489   0.000083566
 C      0.777583      1.101065      0.533388    0.00   0.000582938  -0.000077761   0.000138775
 C      0.250006     -0.349339      0.487536    0.00   0.000661456  -0.000105543  -0.000361499
 C      1.330059     -1.434188      0.605838    0.00   0.000540007  -0.000085017  -0.000166388
 H      2.262340      2.288161     -0.532741    0.00   0.000045166   0.000003887   0.000015197
 H      3.490551      0.420056      0.622881    0.00   0.000049322  -0.000009125  -0.000013143
 H      3.762955      0.382200     -1.122271    0.00   0.000034596   0.000004024  -0.000015458
 H      2.082859     -1.415608     -1.426095    0.00   0.000041838   0.000000180  -0.000016569
 H      3.278995     -1.915363     -0.217599    0.00   0.000045279  -0.000001732  -0.000021855
 H      1.252784      1.231023      1.541288    0.00   0.000050892  -0.000014071   0.000009640
 H      1.710826     -1.431440      1.647492    0.00   0.000049826  -0.000004526  -0.000016131
 H      0.872141     -2.433563      0.459619    0.00   0.000046780  -0.000007440  -0.000011939
 H      1.399947      1.124564     -1.551340    0.00   0.000036755   0.000016744   0.000007690
 O     -0.687027     -0.608480      1.521895    0.00  -0.000473723  -0.000515886  -0.001704582
 C     -0.323557      2.148230      0.386952    0.00   0.000426053  -0.000220832   0.000213972
 H     -1.160546      1.963539      1.072644    0.00   0.000026511  -0.000041246   0.000002176
 H      0.055440      3.155669      0.591100    0.00   0.000017155  -0.000015755   0.000038733
 H     -0.745545      2.156958     -0.630346    0.00   0.000046839  -0.000004311   0.000012417
 H     -1.325428      0.137565      1.635685    0.00   0.000207101   0.000110901   0.000111922
 O     -0.389075     -0.744062     -0.773441    0.00   0.001244261   0.001423072  -0.001220836
 O     -1.464809      0.154098     -1.010447    0.00  -0.001354617  -0.000658926   0.003090185
 C     -2.621895     -0.573450     -0.584666    0.00   0.000551505  -0.001295012   0.004067447
 H     -2.630466     -1.612170     -0.905101    0.00   0.000467318  -0.000191854   0.001108362
 O     -3.397670      0.048041      0.090444    0.00  -0.004849447   0.001680207  -0.005035762
26
 Energy =      -0.194376152015
 C      2.455302     -1.198923     -0.403224    0.00   0.000504624  -0.000037588  -0.000190284
 C      2.985460      0.240264     -0.345903    0.00   0.000465154  -0.000017074  -0.000118210
 C      1.857132      1.259435     -0.550186    0.00   0.000491176   0.000055180   0.000075646
 C      0.776061      1.101273      0.533028    0.00   0.000565289  -0.000079360   0.000131319
 C      0.248255     -0.349055      0.488501    0.00   0.000659837  -0.000115304  -0.000363383
 C      1.328634     -1.433954      0.606265    0.00   0.000536610  -0.000091604  -0.000155817
 H      2.260944      2.288043     -0.533201    0.00   0.000043376   0.000003616   0.000013973
 H      3.489025      0.420337      0.623289    0.00   0.000047382  -0.000008700  -0.000012798
 H      3.761881      0.382075     -1.121789    0.00   0.000033467   0.000003924  -0.000014989
 H      2.081557     -1.415603     -1.425580    0.00   0.000040831  -0.000000461  -0.000015959
 H      3.277572     -1.915308     -0.216914    0.00   0.000044893  -0.000001682  -0.000021544
 H      1.251205      1.231460      1.540993    0.00   0.000049231  -0.000013793   0.000009065
 H      1.709257     -1.431302      1.647987    0.00   0.000049655  -0.000004470  -0.000015298
 H      0.870670     -2.433311      0.459976    0.00   0.000046626  -0.000008132  -0.000010464
 H      1.398813      1.124055     -1.551572    0.00   0.000035286   0.000015671   0.000007071
 O     -0.686104     -0.607412      1.525288    0.00  -0.000474613  -0.000528951  -0.001709309
 C     -0.324661      2.148818      0.386396    0.00   0.000407566  -0.000222613   0.000204819
 H     -1.161343      1.964857      1.072624    0.00   0.000023534  -0.000042898  -0.000000652
 H      0.054929      3.156169      0.589846    0.00   0.000015023  -0.000016227   0.000040694
 H     -0.747029      2.157071     -0.630705    0.00   0.000047153  -0.000002199   0.000010925
 H     -1.331576      0.133592      1.632154    0.00   0.000202777   0.000113423   0.000106706
 O     -0.391620     -0.746866     -0.770961    0.00   0.001303707   0.001413980  -0.001270779
 O     -1.462176      0.155300     -1.016626    0.00  -0.001341418  -0.000611893   0.003144021
 C     -2.623873     -0.569753     -0.595063    0.00   0.000605468  -0.001375753   0.004022267
 H     -2.645792     -1.600865     -0.938244    0.00   0.000485815  -0.000219445   0.001103965
 O     -3.387578      0.044216      0.100022    0.00  -0.004888448   0.001792353  -0.004970984
26
 Energy =      -0.193907134231
 C      2.453981     -1.198818     -0.402728    0.00   0.000493172  -0.000041570  -0.000184508
 C      2.984253      0.240311     -0.345594    0.00   0.000446528  -0.000018041  -0.000115734
 C      1.855859      1.259295     -0.550376    0.00   0.000470968   0.000050666   0.000067748
 C      0.774589      1.101485      0.532689    0.00   0.000545447  -0.000081019   0.000123062
 C      0.246515     -0.348748      0.489468    0.00   0.000654157  -0.000124448  -0.000364324
 C      1.327223     -1.433703      0.606665    0.00   0.000529866  -0.000097836  -0.000146220
 H      2.259607      2.287933     -0.533623    0.00   0.000041474   0.000003328   0.000012794
 H      3.487564      0.420605      0.623686    0.00   0.000045290  -0.000008293  -0.000012387
 H      3.760845      0.381953     -1.121324    0.00   0.000032249   0.000003797  -0.000014443
 H      2.080290     -1.415579     -1.425085    0.00   0.000039701  -0.000001046  -0.000015360
 H      3.276167     -1.915255     -0.216241    0.00   0.000044265  -0.000001646  -0.000021151
 H      1.249681      1.231890      1.540718    0.00   0.000047390  -0.000013599   0.000008446
 H      1.707700     -1.431164      1.648457    0.00   0.000049128  -0.000004476  -0.000014516
 H      0.869210     -2.433039      0.460289    0.00   0.000046192  -0.000008782  -0.000009174
 H      1.397728      1.123579     -1.551784    0.00   0.000033767   0.000014606   0.000006427
 O     -0.685182     -0.606323      1.528677    0.00  -0.000472939  -0.000538615  -0.001704643
 C     -0.325715      2.149408      0.385865    0.00   0.000388828  -0.000222485   0.000195578
 H     -1.162046      1.966221      1.072690    0.00   0.000020629  -0.000044164  -0.000003316
 H      0.054481      3.156681      0.588535    0.00   0.000013091  -0.000016577   0.000042450
 H     -0.748518      2.157115     -0.631015    0.00   0.000047269   0.000000000   0.000009498
 H     -1.337586      0.129569      1.628795    0.00   0.000197978   0.000115370   0.000101520
 O     -0.394271     -0.749640     -0.768391    0.00   0.001353224   0.001396784  -0.001313757
 O     -1.459576      0.156399     -1.022893    0.00  -0.001323934  -0.000556809   0.003182951
 C     -2.625986     -0.565857     -0.605306    0.00   0.000658264  -0.001452433   0.003961965
 H     -2.661609     -1.588684     -0.971035    0.00   0.000503369  -0.000246035   0.001096137
 O     -3.377447      0.040186      0.109434    0.00  -0.004905373   0.001893325  -0.004889044
26
 Energy =      -0.193439383331
 C      2.452689     -1.198703     -0.402246    0.00   0.000479535  -0.000045163  -0.000178484
 C      2.983093      0.240360     -0.345290    0.00   0.000426636  -0.000019055  -0.000112704
 C      1.854637      1.259167     -0.550546    0.00   0.000449558   0.000045986   0.000059925
 C      0.773169      1.101702      0.532373    0.00   0.000523553  -0.000082739   0.000114059
 C      0.244791     -0.348416      0.490440    0.00   0.000644402  -0.000132919  -0.000364306
 C      1.325831     -1.433435      0.607041    0.00   0.000519845  -0.000103593  -0.000137586
 H      2.258328      2.287833     -0.534009    0.00   0.000039474   0.000003026   0.000011668
 H      3.486167      0.420861      0.624070    0.00   0.000043066  -0.000007902  -0.000011918
 H      3.759846      0.381836     -1.120877    0.00   0.000030948   0.000003646  -0.000013827
 H      2.079057     -1.415537     -1.424607    0.00   0.000038456  -0.000001572  -0.000014772
 H      3.274781     -1.915202     -0.215580    0.00   0.000043403  -0.000001623  -0.000020673
 H      1.248215      1.232316      1.540462    0.00   0.000045383  -0.000013492   0.000007787
 H      1.706162     -1.431026      1.648904    0.00   0.000048256  -0.000004529  -0.000013784
 H      0.867764     -2.432745      0.460564    0.00   0.000045488  -0.000009383  -0.000008058
 H      1.396688      1.123136     -1.551975    0.00   0.000032205   0.000013554   0.000005766
 O     -0.684262     -0.605217      1.532057    0.00  -0.000468809  -0.000544770  -0.001690695
 C     -0.326721      2.149997      0.385356    0.00   0.000369931  -0.000220519   0.000186302
 H     -1.162659      1.967622      1.072837    0.00   0.000017812  -0.000045047  -0.000005799
 H      0.054090      3.157203      0.587169    0.00   0.000011361  -0.000016805   0.000043985
 H     -0.750011      2.157090     -0.631282    0.00   0.000047182   0.000002258   0.000008145
 H     -1.343463      0.125500      1.625595    0.00   0.000192749   0.000116744   0.000096420
 O     -0.397018     -0.752379     -0.765735    0.00   0.001391705   0.001371529  -0.001349113
 O     -1.457009      0.157380     -1.029239    0.00  -0.001302049  -0.000493839   0.003206368
 C     -2.628236     -0.561760     -0.615393    0.00   0.000709199  -0.001524475   0.003886752
 H     -2.677936     -1.575605     -1.003473    0.00   0.000519750  -0.000271399   0.001084878
 O     -3.367284      0.035960      0.118680    0.00  -0.004899040   0.001982080  -0.004790337
26
 Energy =      -0.192974620091
 C      2.451428     -1.198578     -0.401777    0.00   0.000463823  -0.000048314  -0.000172197
 C      2.981981      0.240412     -0.344994    0.00   0.000405642  -0.000020073  -0.000109163
 C      1.853465      1.259050     -0.550696    0.00   0.000427091   0.000041185   0.000052236
 C      0.771801      1.101925      0.532079    0.00   0.000499772  -0.000084502   0.000104385
 C      0.243087     -0.348061      0.491415    0.00   0.000630607  -0.000140654  -0.000363298
 C      1.324460     -1.433151      0.607399    0.00   0.000506650  -0.000108754  -0.000129875
 H      2.257107      2.287742     -0.534363    0.00   0.000037385   0.000002715   0.000010602
 H      3.484833      0.421106      0.624440    0.00   0.000040733  -0.000007524  -0.000011397
 H      3.758884      0.381723     -1.120447    0.00   0.000029572   0.000003472  -0.000013154
 H      2.077857     -1.415479     -1.424144    0.00   0.000037104  -0.000002036  -0.000014189
 H      3.273417     -1.915150     -0.214931    0.00   0.000042314  -0.000001610  -0.000020107
 H      1.246805      1.232743      1.540227    0.00   0.000043225  -0.000013470   0.000007096
 H      1.704647     -1.430884      1.649331    0.00   0.000047051  -0.000004609  -0.000013100
 H      0.866335     -2.432431      0.460809    0.00   0.000044527  -0.000009927  -0.000007108
 H      1.395692      1.122723     -1.552147    0.00   0.000030611   0.000012525   0.000005091
 O     -0.683347     -0.604096      1.535421    0.00  -0.000462332  -0.000547334  -0.001667614
 C     -0.327684      2.150582      0.384869    0.00   0.000350951  -0.000216799   0.000177036
 H     -1.163188      1.969055      1.073060    0.00   0.000015100  -0.000045553  -0.000008084
 H      0.053747      3.157733      0.585748    0.00   0.000009831  -0.000016913   0.000045283
 H     -0.751507      2.156993     -0.631506    0.00   0.000046886   0.000004542   0.000006874
 H     -1.349215      0.121384      1.622540    0.00   0.000187132   0.000117553   0.000091456
 O     -0.399849     -0.755075     -0.763000    0.00   0.001418146   0.001338346  -0.001376219
 O     -1.454475      0.158232     -1.035656    0.00  -0.001275628  -0.000423357   0.003213704
 C     -2.630628     -0.557458     -0.625320    0.00   0.000757452  -0.001591227   0.003796812
 H     -2.694791     -1.561604     -1.035556    0.00   0.000534683  -0.000295286   0.001070176
 O     -3.357100      0.031545      0.127759    0.00  -0.004868328   0.002057605  -0.004675246
26
 Energy =      -0.192514624887
 C      2.450199     -1.198445     -0.401321    0.00   0.000446158  -0.000050974  -0.000165624
 C      2.980916      0.240468     -0.344704    0.00   0.000383700  -0.000021057  -0.000105149
 C      1.852344      1.258946     -0.550827    0.00   0.000403718   0.000036313   0.000044740
 C      0.770485      1.102155      0.531809    0.00   0.000474277  -0.000086285   0.000094136
 C      0.241409     -0.347684      0.492397    0.00   0.000612860  -0.000147580  -0.000361244
 C      1.323116     -1.432850      0.607740    0.00   0.000490418  -0.000113193  -0.000123014
 H      2.255941      2.287661     -0.534688    0.00   0.000035221   0.000002399   0.000009599
 H      3.483563      0.421342      0.624798    0.00   0.000038311  -0.000007155  -0.000010833
 H      3.757956      0.381615     -1.120035    0.00   0.000028128   0.000003276  -0.000012431
 H      2.076690     -1.415406     -1.423695    0.00   0.000035649  -0.000002436  -0.000013609
 H      3.272078     -1.915097     -0.214294    0.00   0.000041006  -0.000001602  -0.000019453
 H      1.245453      1.233174      1.540011    0.00   0.000040930  -0.000013525   0.000006376
 H      1.703160     -1.430739      1.649740    0.00   0.000045527  -0.000004699  -0.000012460
 H      0.864926     -2.432097      0.461027    0.00   0.000043322  -0.000010407  -0.000006310
 H      1.394737      1.122338     -1.552298    0.00   0.000028990   0.000011523   0.000004410
 O     -0.682438     -0.602962      1.538764    0.00  -0.000453603  -0.000546238  -0.001635574
 C     -0.328605      2.151160      0.384402    0.00   0.000331953  -0.000211414   0.000167815
 H     -1.163636      1.970514      1.073355    0.00   0.000012511  -0.000045689  -0.000010155
 H      0.053447      3.158269      0.584275    0.00   0.000008501  -0.000016903   0.000046321
 H     -0.753005      2.156822     -0.631693    0.00   0.000046373   0.000006815   0.000005691
 H     -1.354849      0.117223      1.619614    0.00   0.000181166   0.000117801   0.000086665
 O     -0.402750     -0.757723     -0.760190    0.00   0.001431692   0.001297439  -0.001394486
 O     -1.451975      0.158940     -1.042138    0.00  -0.001244534  -0.000345964   0.003204423
 C     -2.633166     -0.552946     -0.635083    0.00   0.000802060  -0.001651937   0.003692305
 H     -2.712191     -1.546651     -1.067280    0.00   0.000547852  -0.000317401   0.001051999
 O     -3.346905      0.026948      0.136669    0.00  -0.004812185   0.002118892  -0.004544137
26
 Energy =      -0.192061241986
 C      2.449004     -1.198302     -0.400877    0.00   0.000426670  -0.000053091  -0.000158746
 C      2.979896      0.240526     -0.344423    0.00   0.000360975  -0.000021962  -0.000100700
 C      1.851271      1.258853     -0.550939    0.00   0.000379585   0.000031422   0.000037503
 C      0.769222      1.102394      0.531564    0.00   0.000447261  -0.000088026   0.000083427
 C      0.239760     -0.347284      0.493385    0.00   0.000591292  -0.000153621  -0.000358058
 C      1.321800     -1.432535      0.608069    0.00   0.000471319  -0.000116788  -0.000116908
 H      2.254830      2.287588     -0.534985    0.00   0.000032994   0.000002080   0.000008663
 H      3.482354      0.421570      0.625141    0.00   0.000035822  -0.000006793  -0.000010232
 H      3.757063      0.381511     -1.119641    0.00   0.000026624   0.000003063  -0.000011670
 H      2.075556     -1.415321     -1.423259    0.00   0.000034097  -0.000002772  -0.000013028
 H      3.270766     -1.915044     -0.213672    0.00   0.000039489  -0.000001599  -0.000018713
 H      1.244157      1.233615      1.539816    0.00   0.000038516  -0.000013649   0.000005637
 H      1.701706     -1.430589      1.650136    0.00   0.000043709  -0.000004783  -0.000011859
 H      0.863539     -2.431744      0.461226    0.00   0.000041890  -0.000010814  -0.000005649
 H      1.393822      1.121980     -1.552430    0.00   0.000027348   0.000010553   0.000003732
 O     -0.681534     -0.601819      1.542080    0.00  -0.000442713  -0.000541431  -0.001594786
 C     -0.329488      2.151731      0.383954    0.00   0.000312990  -0.000204478   0.000158666
 H     -1.164007      1.971993      1.073717    0.00   0.000010061  -0.000045463  -0.000011996
 H      0.053181      3.158810      0.582750    0.00   0.000007361  -0.000016774   0.000047077
 H     -0.754503      2.156576     -0.631843    0.00   0.000045638   0.000009039   0.000004605
 H     -1.360374      0.113015      1.616802    0.00   0.000174879   0.000117492   0.000082072
 O     -0.405708     -0.760316     -0.757311    0.00   0.001431655   0.001249119  -0.001403361
 O     -1.449510      0.159490     -1.048678    0.00  -0.001208605  -0.000262550   0.003177992
 C     -2.635852     -0.548218     -0.644679    0.00   0.000841901  -0.001705694   0.003573378
 H     -2.730149     -1.530715     -1.098638    0.00   0.000558891  -0.000337400   0.001030307
 O     -3.336709      0.022177      0.145410    0.00  -0.004729647   0.002164921  -0.004397352
26
 Energy =      -0.191616385152
 C      2.447842     -1.198152     -0.400444    0.00   0.000405503  -0.000054626  -0.000151541
 C      2.978921      0.240589     -0.344148    0.00   0.000337625  -0.000022752  -0.000095860
 C      1.850246      1.258772     -0.551034    0.00   0.000354843   0.000026570   0.000030590
 C      0.768012      1.102642      0.531344    0.00   0.000418933  -0.000089661   0.000072408
 C      0.238144     -0.346861      0.494381    0.00   0.000566089  -0.000158667  -0.000353629
 C      1.320516     -1.432204      0.608389    0.00   0.000449557  -0.000119421  -0.000111433
 H      2.253772      2.287525     -0.535259    0.00   0.000030717   0.000001766   0.000007796
 H      3.481205      0.421790      0.625471    0.00   0.000033286  -0.000006433  -0.000009603
 H      3.756205      0.381414     -1.119265    0.00   0.000025066   0.000002834  -0.000010878
 H      2.074453     -1.415223     -1.422833    0.00   0.000032453  -0.000003040  -0.000012440
 H      3.269482     -1.914990     -0.213063    0.00   0.000037777  -0.000001597  -0.000017887
 H      1.242918      1.234068      1.539642    0.00   0.000036001  -0.000013824   0.000004888
 H      1.700290     -1.430433      1.650519    0.00   0.000041619  -0.000004845  -0.000011290
 H      0.862177     -2.431371      0.461408    0.00   0.000040247  -0.000011136  -0.000005107
 H      1.392944      1.121646     -1.552541    0.00   0.000025691   0.000009618   0.000003063
 O     -0.680638     -0.600669      1.545364    0.00  -0.000429739  -0.000532886  -0.001545476
 C     -0.330335      2.152291      0.383522    0.00   0.000294100  -0.000196102   0.000149603
 H     -1.164306      1.973487      1.074144    0.00   0.000007765  -0.000044882  -0.000013588
 H      0.052945      3.159354      0.581177    0.00   0.000006403  -0.000016527   0.000047523
 H     -0.756001      2.156254     -0.631960    0.00   0.000044671   0.000011162   0.000003620
 H     -1.365799      0.108757      1.614088    0.00   0.000168292   0.000116624   0.000077686
 O     -0.408709     -0.762848     -0.754368    0.00   0.001417557   0.001193752  -0.001402335
 O     -1.447081      0.159866     -1.055268    0.00  -0.001167705  -0.000174285   0.003133908
 C     -2.638689     -0.543269     -0.654105    0.00   0.000875720  -0.001751419   0.003440153
 H     -2.748675     -1.513759     -1.129622    0.00   0.000567387  -0.000354875   0.001005038
 O     -3.326526      0.017237      0.153980    0.00  -0.004619857   0.002194651  -0.004235209
26
 Energy =      -0.191182044448
 C      2.446714     -1.197995     -0.400022    0.00   0.000382807  -0.000055541  -0.000143986
 C      2.977990      0.240655     -0.343882    0.00   0.000313808  -0.000023382  -0.000090667
 C      1.849268      1.258703     -0.551113    0.00   0.000329639   0.000021815   0.000024071
 C      0.766856      1.102900      0.531151    0.00   0.000389521  -0.000091080   0.000061237
 C      0.236567     -0.346416      0.495385    0.00   0.000537488  -0.000162617  -0.000347808
 C      1.319266     -1.431859      0.608701    0.00   0.000425371  -0.000120978  -0.000106443
 H      2.252767      2.287470     -0.535510    0.00   0.000028405   0.000001458   0.000006996
 H      3.480116      0.422003      0.625786    0.00   0.000030724  -0.000006074  -0.000008950
 H      3.755379      0.381322     -1.118908    0.00   0.000023461   0.000002593  -0.000010067
 H      2.073380     -1.415115     -1.422418    0.00   0.000030721  -0.000003241  -0.000011839
 H      3.268228     -1.914934     -0.212469    0.00   0.000035881  -0.000001592  -0.000016980
 H      1.241736      1.234539      1.539489    0.00   0.000033405  -0.000014029   0.000004139
 H      1.698914     -1.430273      1.650892    0.00   0.000039288  -0.000004871  -0.000010743
 H      0.860840     -2.430980      0.461578    0.00   0.000038408  -0.000011367  -0.000004666
 H      1.392103      1.121335     -1.552632    0.00   0.000024020   0.000008720   0.000002416
 O     -0.679750     -0.599514      1.548614    0.00  -0.000414752  -0.000520586  -0.001487896
 C     -0.331149      2.152838      0.383105    0.00   0.000275305  -0.000186416   0.000140634
 H     -1.164536      1.974992      1.074630    0.00   0.000005643  -0.000043955  -0.000014916
 H      0.052733      3.159900      0.579555    0.00   0.000005615  -0.000016165   0.000047630
 H     -0.757497      2.155855     -0.632046    0.00   0.000043465   0.000013139   0.000002743
 H     -1.371133      0.104445      1.611457    0.00   0.000161418   0.000115188   0.000073506
 O     -0.411737     -0.765314     -0.751368    0.00   0.001389153   0.001131839  -0.001390926
 O     -1.444690      0.160053     -1.061904    0.00  -0.001121686  -0.000082702   0.003071623
 C     -2.641677     -0.538089     -0.663355    0.00   0.000902110  -0.001787788   0.003292767
 H     -2.767774     -1.495745     -1.160219    0.00   0.000572881  -0.000369350   0.000976130
 O     -3.316367      0.012135      0.162378    0.00  -0.004482097   0.002206980  -0.004058003
26
 Energy =      -0.190760294105
 C      2.445622     -1.197831     -0.399609    0.00   0.000358748  -0.000055805  -0.000136062
 C      2.977101      0.240724     -0.343623    0.00   0.000289679  -0.000023815  -0.000085155
 C      1.848335      1.258646     -0.551175    0.00   0.000304123   0.000017225   0.000018009
 C      0.765753      1.103169      0.530984    0.00   0.000359266  -0.000092173   0.000050108
 C      0.235031     -0.345949      0.496400    0.00   0.000505786  -0.000165333  -0.000340419
 C      1.318054     -1.431501      0.609009    0.00   0.000399024  -0.000121350  -0.000101776
 H      2.251814      2.287425     -0.535742    0.00   0.000026070   0.000001163   0.000006261
 H      3.479084      0.422209      0.626089    0.00   0.000028154  -0.000005710  -0.000008283
 H      3.754585      0.381235     -1.118568    0.00   0.000021817   0.000002343  -0.000009244
 H      2.072338     -1.414999     -1.422011    0.00   0.000028904  -0.000003373  -0.000011221
 H      3.267006     -1.914877     -0.211891    0.00   0.000033820  -0.000001583  -0.000015997
 H      1.240611      1.235031      1.539358    0.00   0.000030747  -0.000014239   0.000003402
 H      1.697584     -1.430108      1.651256    0.00   0.000036746  -0.000004852  -0.000010210
 H      0.859531     -2.430570      0.461739    0.00   0.000036391  -0.000011494  -0.000004303
 H      1.391295      1.121046     -1.552703    0.00   0.000022340   0.000007861   0.000001799
 O     -0.678870     -0.598356      1.551823    0.00  -0.000397818  -0.000504533  -0.001422317
 C     -0.331932      2.153372      0.382702    0.00   0.000256615  -0.000175555   0.000131752
 H     -1.164701      1.976504      1.075171    0.00   0.000003707  -0.000042689  -0.000015962
 H      0.052538      3.160447      0.577887    0.00   0.000004977  -0.000015687   0.000047367
 H     -0.758990      2.155379     -0.632105    0.00   0.000042012   0.000014917   0.000001977
 H     -1.376386      0.100073      1.608894    0.00   0.000154256   0.000113159   0.000069512
 O     -0.414777     -0.767709     -0.748314    0.00   0.001346465   0.001063940  -0.001368692
 O     -1.442340      0.160037     -1.068578    0.00  -0.001070451   0.000010315   0.002990598
 C     -2.644816     -0.532670     -0.672424    0.00   0.000919567  -0.001813228   0.003131375
 H     -2.787444     -1.476632     -1.190413    0.00   0.000574874  -0.000380261   0.000943512
 O     -3.306247      0.006876      0.170602    0.00  -0.004315817   0.002200757  -0.003866028
26
 Energy =       -0.19035330101
 C      2.444566     -1.197662     -0.399207    0.00   0.000333497  -0.000055399  -0.000127749
 C      2.976255      0.240797     -0.343372    0.00   0.000265385  -0.000024012  -0.000079367
 C      1.847446      1.258600     -0.551221    0.00   0.000278437   0.000012861   0.000012473
 C      0.764703      1.103451      0.530846    0.00   0.000328421  -0.000092790   0.000039226
 C      0.233541     -0.345460      0.497427    0.00   0.000471321  -0.000166663  -0.000331255
 C      1.316882     -1.431131      0.609314    0.00   0.000370816  -0.000120448  -0.000097248
 H      2.250911      2.287388     -0.535957    0.00   0.000023729   0.000000884   0.000005588
 H      3.478107      0.422410      0.626377    0.00   0.000025597  -0.000005342  -0.000007604
 H      3.753824      0.381155     -1.118247    0.00   0.000020142   0.000002090  -0.000008418
 H      2.071325     -1.414874     -1.421612    0.00   0.000027006  -0.000003436  -0.000010580
 H      3.265818     -1.914818     -0.211328    0.00   0.000031605  -0.000001565  -0.000014946
 H      1.239543      1.235548      1.539247    0.00   0.000028050  -0.000014423   0.000002688
 H      1.696301     -1.429940      1.651615    0.00   0.000034029  -0.000004777  -0.000009681
 H      0.858250     -2.430143      0.461894    0.00   0.000034211  -0.000011506  -0.000004003
 H      1.390519      1.120777     -1.552755    0.00   0.000020650   0.000007040   0.000001223
 O     -0.678000     -0.597197      1.554990    0.00  -0.000378991  -0.000484749  -0.001349025
 C     -0.332686      2.153890      0.382311    0.00   0.000238022  -0.000163665   0.000122939
 H     -1.164804      1.978019      1.075765    0.00   0.000001974  -0.000041094  -0.000016713
 H      0.052357      3.160994      0.576176    0.00   0.000004474  -0.000015093   0.000046703
 H     -0.760479      2.154827     -0.632137    0.00   0.000040307   0.000016442   0.000001325
 H     -1.381569      0.095634      1.606381    0.00   0.000146792   0.000110501   0.000065665
 O     -0.417814     -0.770026     -0.745214    0.00   0.001289797   0.000990744  -0.001335220
 O     -1.440033      0.159802     -1.075287    0.00  -0.001013938   0.000102476   0.002890248
 C     -2.648103     -0.527004     -0.681307    0.00   0.000926505  -0.001825857   0.002956197
 H     -2.807679     -1.456378     -1.220182    0.00   0.000572838  -0.000386953   0.000907126
 O     -3.296179      0.001465      0.178650    0.00  -0.004120675   0.002174735  -0.003659593
26
 Energy =      -0.189963333241
 C      2.443545     -1.197487     -0.398814    0.00   0.000307230  -0.000054304  -0.000119037
 C      2.975449      0.240874     -0.343129    0.00   0.000241067  -0.000023939  -0.000073341
 C      1.846600      1.258566     -0.551254    0.00   0.000252723   0.000008790   0.000007523
 C      0.763706      1.103746      0.530735    0.00   0.000297257  -0.000092767   0.000028811
 C      0.232100     -0.344949      0.498465    0.00   0.000434486  -0.000166448  -0.000320071
 C      1.315751     -1.430750      0.609618    0.00   0.000341059  -0.000118184  -0.000092673
 H      2.250058      2.287361     -0.536157    0.00   0.000021394   0.000000626   0.000004970
 H      3.477185      0.422606      0.626653    0.00   0.000023067  -0.000004965  -0.000006921
 H      3.753092      0.381081     -1.117942    0.00   0.000018442   0.000001833  -0.000007597
 H      2.070342     -1.414743     -1.421220    0.00   0.000025032  -0.000003432  -0.000009907
 H      3.264664     -1.914758     -0.210782    0.00   0.000029259  -0.000001537  -0.000013831
 H      1.238530      1.236093      1.539159    0.00   0.000025335  -0.000014543   0.000002012
 H      1.695068     -1.429768      1.651968    0.00   0.000031175  -0.000004642  -0.000009143
 H      0.856999     -2.429699      0.462045    0.00   0.000031883  -0.000011393  -0.000003742
 H      1.389774      1.120526     -1.552788    0.00   0.000018951   0.000006257   0.000000701
 O     -0.677138     -0.596040      1.558111    0.00  -0.000358313  -0.000461268  -0.001268327
 C     -0.333414      2.154392      0.381931    0.00   0.000219504  -0.000150898   0.000114160
 H     -1.164850      1.979534      1.076407    0.00   0.000000458  -0.000039178  -0.000017150
 H      0.052184      3.161539      0.574423    0.00   0.000004083  -0.000014387   0.000045607
 H     -0.761962      2.154200     -0.632147    0.00   0.000038343   0.000017662   0.000000789
 H     -1.386693      0.091120      1.603905    0.00   0.000138999   0.000107158   0.000061911
 O     -0.420832     -0.772262     -0.742072    0.00   0.001219750   0.000913015  -0.001290139
 O     -1.437775      0.159332     -1.082023    0.00  -0.000952174   0.000191103   0.002769977
 C     -2.651533     -0.521080     -0.689998    0.00   0.000921324  -0.001823475   0.002767549
 H     -2.828461     -1.434940     -1.249502    0.00   0.000566231  -0.000388676   0.000866932
 O     -3.286180     -0.004093      0.186520    0.00  -0.003896567   0.002127591  -0.003439066
26
 Energy =      -0.189592767718
 C      2.442561     -1.197308     -0.398430    0.00   0.000280132  -0.000052513  -0.000109915
 C      2.974682      0.240954     -0.342894    0.00   0.000216859  -0.000023568  -0.000067113
 C      1.845796      1.258543     -0.551272    0.00   0.000227118   0.000005082   0.000003212
 C      0.762761      1.104055      0.530652    0.00   0.000266033  -0.000091936   0.000019096
 C      0.230710     -0.344416      0.499515    0.00   0.000395704  -0.000164483  -0.000306622
 C      1.314663     -1.430358      0.609923    0.00   0.000310089  -0.000114498  -0.000087857
 H      2.249253      2.287341     -0.536343    0.00   0.000019083   0.000000391   0.000004401
 H      3.476314      0.422796      0.626916    0.00   0.000020581  -0.000004577  -0.000006239
 H      3.752391      0.381014     -1.117654    0.00   0.000016725   0.000001582  -0.000006785
 H      2.069387     -1.414606     -1.420835    0.00   0.000022984  -0.000003363  -0.000009200
 H      3.263546     -1.914696     -0.210253    0.00   0.000026798  -0.000001497  -0.000012664
 H      1.237572      1.236669      1.539091    0.00   0.000022629  -0.000014560   0.000001387
 H      1.693887     -1.429594      1.652317    0.00   0.000028221  -0.000004444  -0.000008586
 H      0.855777     -2.429238      0.462194    0.00   0.000029424  -0.000011144  -0.000003503
 H      1.389059      1.120292     -1.552803    0.00   0.000017243   0.000005509   0.000000240
 O     -0.676285     -0.594886      1.561182    0.00  -0.000335814  -0.000434142  -0.001180541
 C     -0.334119      2.154876      0.381560    0.00   0.000201024  -0.000137414   0.000105374
 H     -1.164842      1.981045      1.077094    0.00  -0.000000829  -0.000036951  -0.000017265
 H      0.052015      3.162082      0.572631    0.00   0.000003780  -0.000013569   0.000044049
 H     -0.763438      2.153501     -0.632135    0.00   0.000036118   0.000018524   0.000000370
 H     -1.391769      0.086521      1.601449    0.00   0.000130830   0.000103053   0.000058180
 O     -0.423817     -0.774411     -0.738894    0.00   0.001137233   0.000831601  -0.001233117
 O     -1.435568      0.158615     -1.088782    0.00  -0.000885311   0.000273118   0.002629182
 C     -2.655099     -0.514890     -0.698490    0.00   0.000902515  -0.001803547   0.002565893
 H     -2.849765     -1.412277     -1.278342    0.00   0.000554524  -0.000384574   0.000822924
 O     -3.276263     -0.009794      0.194208    0.00  -0.003643691   0.002057921  -0.003204903
26
 Energy =       -0.18924409583
 C      2.441613     -1.197126     -0.398056    0.00   0.000252385  -0.000050032  -0.000100379
 C      2.973953      0.241036     -0.342667    0.00   0.000192881  -0.000022869  -0.000060718
 C      1.845033      1.258531     -0.551277    0.00   0.000201745   0.000001798  -0.000000414
 C      0.761869      1.104378      0.530596    0.00   0.000235028  -0.000090094   0.000010309
 C      0.229373     -0.343862      0.500579    0.00   0.000355442  -0.000160589  -0.000290621
 C      1.313618     -1.429958      0.610229    0.00   0.000278248  -0.000109346  -0.000082621
 H      2.248495      2.287330     -0.536518    0.00   0.000016808   0.000000184   0.000003875
 H      3.475493      0.422982      0.627166    0.00   0.000018154  -0.000004177  -0.000005561
 H      3.751719      0.380953     -1.117382    0.00   0.000014996   0.000001337  -0.000005992
 H      2.068461     -1.414466     -1.420456    0.00   0.000020867  -0.000003231  -0.000008453
 H      3.262464     -1.914632     -0.209741    0.00   0.000024243  -0.000001441  -0.000011452
 H      1.236669      1.237278      1.539045    0.00   0.000019951  -0.000014431   0.000000824
 H      1.692758     -1.429420      1.652664    0.00   0.000025206  -0.000004184  -0.000007998
 H      0.854585     -2.428762      0.462342    0.00   0.000026846  -0.000010749  -0.000003268
 H      1.388372      1.120075     -1.552800    0.00   0.000015528   0.000004796  -0.000000147
 O     -0.675441     -0.593737      1.564202    0.00  -0.000311521  -0.000403435  -0.001086021
 C     -0.334802      2.155341      0.381197    0.00   0.000182521  -0.000123382   0.000096520
 H     -1.164783      1.982551      1.077822    0.00  -0.000001874  -0.000034420  -0.000017042
 H      0.051846      3.162621      0.570802    0.00   0.000003539  -0.000012641   0.000041999
 H     -0.764905      2.152733     -0.632106    0.00   0.000033629   0.000018979   0.000000063
 H     -1.396810      0.081826      1.599000    0.00   0.000122227   0.000098079   0.000054382
 O     -0.426753     -0.776472     -0.735685    0.00   0.001043430   0.000747452  -0.001163876
 O     -1.433419      0.157637     -1.095560    0.00  -0.000813650   0.000345063   0.002467251
 C     -2.658791     -0.508424     -0.706777    0.00   0.000868726  -0.001763217   0.002351882
 H     -2.871557     -1.388349     -1.306669    0.00   0.000537225  -0.000373701   0.000775160
 O     -3.266444     -0.015631      0.201712    0.00  -0.003362580   0.001964250  -0.002957703
26
 Energy =       -0.18891992567
 C      2.440700     -1.196941     -0.397690    0.00   0.000224171  -0.000046868  -0.000090436
 C      2.973260      0.241122     -0.342447    0.00   0.000169241  -0.000021821  -0.000054192
 C      1.844308      1.258530     -0.551270    0.00   0.000176726  -0.000000997  -0.000003316
 C      0.761026      1.104717      0.530568    0.00   0.000204497  -0.000087060   0.000002669
 C      0.228092     -0.343286      0.501657    0.00   0.000314171  -0.000154544  -0.000271800
 C      1.312619     -1.429549      0.610538    0.00   0.000245885  -0.000102702  -0.000076788
 H      2.247783      2.287327     -0.536683    0.00   0.000014584   0.000000009   0.000003380
 H      3.474719      0.423163      0.627405    0.00   0.000015794  -0.000003764  -0.000004892
 H      3.751076      0.380898     -1.117126    0.00   0.000013264   0.000001103  -0.000005220
 H      2.067562     -1.414321     -1.420083    0.00   0.000018688  -0.000003040  -0.000007662
 H      3.261418     -1.914566     -0.209246    0.00   0.000021614  -0.000001367  -0.000010205
 H      1.235818      1.237923      1.539018    0.00   0.000017324  -0.000014111   0.000000338
 H      1.691684     -1.429247      1.653009    0.00   0.000022166  -0.000003866  -0.000007369
 H      0.853422     -2.428271      0.462491    0.00   0.000024161  -0.000010200  -0.000003025
 H      1.387712      1.119872     -1.552780    0.00   0.000013803   0.000004114  -0.000000454
 O     -0.674606     -0.592594      1.567169    0.00  -0.000285440  -0.000369239  -0.000985133
 C     -0.335466      2.155787      0.380841    0.00   0.000163933  -0.000108971   0.000087520
 H     -1.164678      1.984049      1.078587    0.00  -0.000002670  -0.000031598  -0.000016475
 H      0.051673      3.163156      0.568941    0.00   0.000003332  -0.000011608   0.000039434
 H     -0.766362      2.151898     -0.632060    0.00   0.000030877   0.000018986  -0.000000132
 H     -1.401826      0.077022      1.596543    0.00   0.000113115   0.000092114   0.000050417
 O     -0.429629     -0.778440     -0.732451    0.00   0.000939811   0.000661554  -0.001082212
 O     -1.431334      0.156385     -1.102351    0.00  -0.000737711   0.000403164   0.002283629
 C     -2.662597     -0.501672     -0.714850    0.00   0.000818896  -0.001699334   0.002126416
 H     -2.893792     -1.363118     -1.334442    0.00   0.000513921  -0.000355030   0.000723768
 O     -3.256738     -0.021602      0.209028    0.00  -0.003054153   0.001845077  -0.002698260
26
 Energy =      -0.188622979246
 C      2.439822     -1.196753     -0.397334    0.00   0.000195673  -0.000043040  -0.000080101
 C      2.972601      0.241210     -0.342235    0.00   0.000146031  -0.000020408  -0.000047566
 C      1.843620      1.258540     -0.551252    0.00   0.000152167  -0.000003246  -0.000005477
 C      0.760233      1.105070      0.530566    0.00   0.000174683  -0.000082644  -0.000003623
 C      0.226867     -0.342690      0.502748    0.00   0.000272369  -0.000146146  -0.000249891
 C      1.311663     -1.429135      0.610850    0.00   0.000213329  -0.000094570  -0.000070212
 H      2.247114      2.287331     -0.536839    0.00   0.000012426  -0.000000132   0.000002913
 H      3.473990      0.423340      0.627633    0.00   0.000013512  -0.000003336  -0.000004235
 H      3.750459      0.380849     -1.116883    0.00   0.000011535   0.000000884  -0.000004473
 H      2.066691     -1.414175     -1.419717    0.00   0.000016451  -0.000002794  -0.000006826
 H      3.260410     -1.914498     -0.208769    0.00   0.000018930  -0.000001274  -0.000008932
 H      1.235017      1.238605      1.539011    0.00   0.000014770  -0.000013557  -0.000000061
 H      1.690662     -1.429075      1.653352    0.00   0.000019136  -0.000003498  -0.000006689
 H      0.852288     -2.427767      0.462641    0.00   0.000021382  -0.000009490  -0.000002758
 H      1.387079      1.119684     -1.552745    0.00   0.000012074   0.000003463  -0.000000676
 O     -0.673780     -0.591458      1.570080    0.00  -0.000257566  -0.000331651  -0.000878283
 C     -0.336112      2.156212      0.380490    0.00   0.000145168  -0.000094363   0.000078287
 H     -1.164530      1.985536      1.079386    0.00  -0.000003208  -0.000028491  -0.000015557
 H      0.051495      3.163685      0.567049    0.00   0.000003134  -0.000010474   0.000036334
 H     -0.767808      2.151001     -0.632001    0.00   0.000027865   0.000018510  -0.000000224
 H     -1.406829      0.072097      1.594066    0.00   0.000103408   0.000084998   0.000046170
 O     -0.432430     -0.780314     -0.729197    0.00   0.000828071   0.000574956  -0.000988010
 O     -1.429318      0.154850     -1.109151    0.00  -0.000658270   0.000443379   0.002077843
 C     -2.666501     -0.494627     -0.722702    0.00   0.000752385  -0.001608522   0.001890701
 H     -2.916413     -1.336554     -1.361621    0.00   0.000484308  -0.000327469   0.000668974
 O     -3.247161     -0.027701      0.216154    0.00  -0.002719763   0.001698915  -0.002427629
26
 Energy =      -0.188356083196
 C      2.438978     -1.196563     -0.396986    0.00   0.000167053  -0.000038577  -0.000069392
 C      2.971976      0.241301     -0.342030    0.00   0.000123332  -0.000018618  -0.000040872
 C      1.842968      1.258560     -0.551224    0.00   0.000128158  -0.000004901  -0.000006880
 C      0.759487      1.105439      0.530590    0.00   0.000145809  -0.000076672  -0.000008402
 C      0.225698     -0.342073      0.503852    0.00   0.000230499  -0.000135200  -0.000224645
 C      1.310753     -1.428715      0.611164    0.00   0.000180909  -0.000084971  -0.000062775
 H      2.246488      2.287343     -0.536988    0.00   0.000010345  -0.000000235   0.000002465
 H      3.473303      0.423513      0.627850    0.00   0.000011315  -0.000002893  -0.000003589
 H      3.749869      0.380807     -1.116653    0.00   0.000009816   0.000000684  -0.000003755
 H      2.065846     -1.414027     -1.419355    0.00   0.000014169  -0.000002500  -0.000005940
 H      3.259438     -1.914428     -0.208309    0.00   0.000016210  -0.000001159  -0.000007644
 H      1.234266      1.239325      1.539023    0.00   0.000012304  -0.000012725  -0.000000367
 H      1.689693     -1.428906      1.653694    0.00   0.000016148  -0.000003086  -0.000005951
 H      0.851182     -2.427251      0.462792    0.00   0.000018516  -0.000008613  -0.000002458
 H      1.386472      1.119510     -1.552695    0.00   0.000010342   0.000002844  -0.000000806
 O     -0.672961     -0.590330      1.572936    0.00  -0.000227884  -0.000290790  -0.000765915
 C     -0.336743      2.156618      0.380143    0.00   0.000126134  -0.000079732   0.000068715
 H     -1.164342      1.987011      1.080214    0.00  -0.000003485  -0.000025114  -0.000014284
 H      0.051307      3.164208      0.565132    0.00   0.000002915  -0.000009247   0.000032686
 H     -0.769241      2.150049     -0.631931    0.00   0.000024598   0.000017525  -0.000000219
 H     -1.411831      0.067035      1.591556    0.00   0.000093016   0.000076547   0.000041519
 O     -0.435147     -0.782093     -0.725928    0.00   0.000710096   0.000488708  -0.000881293
 O     -1.427381      0.153022     -1.115955    0.00  -0.000576397   0.000461535   0.001849562
 C     -2.670485     -0.487280     -0.730325    0.00   0.000669079  -0.001487258   0.001646275
 H     -2.939356     -1.308629     -1.388157    0.00   0.000448239  -0.000289910   0.000611128
 O     -3.237725     -0.033924      0.223084    0.00  -0.002361237   0.001524358  -0.002147162
26
 Energy =       -0.18812215132
 C      2.438168     -1.196373     -0.396647    0.00   0.000138478  -0.000033506  -0.000058340
 C      2.971381      0.241395     -0.341831    0.00   0.000101197  -0.000016447  -0.000034139
 C      1.842349      1.258589     -0.551186    0.00   0.000104780  -0.000005920  -0.000007535
 C      0.758787      1.105823      0.530637    0.00   0.000118059  -0.000068993  -0.000011537
 C      0.224585     -0.341437      0.504969    0.00   0.000188979  -0.000121528  -0.000195863
 C      1.309886     -1.428290      0.611482    0.00   0.000148905  -0.000073958  -0.000054404
 H      2.245903      2.287362     -0.537129    0.00   0.000008353  -0.000000300   0.000002029
 H      3.472654      0.423682      0.628058    0.00   0.000009207  -0.000002434  -0.000002959
 H      3.749304      0.380771     -1.116436    0.00   0.000008112   0.000000506  -0.000003065
 H      2.065028     -1.413879     -1.419000    0.00   0.000011847  -0.000002163  -0.000005010
 H      3.258501     -1.914356     -0.207866    0.00   0.000013476  -0.000001020  -0.000006347
 H      1.233561      1.240082      1.539051    0.00   0.000009943  -0.000011577  -0.000000570
 H      1.688775     -1.428740      1.654035    0.00   0.000013226  -0.000002639  -0.000005149
 H      0.850103     -2.426723      0.462945    0.00   0.000015575  -0.000007569  -0.000002119
 H      1.385890      1.119349     -1.552632    0.00   0.000008614   0.000002256  -0.000000845
 O     -0.672150     -0.589211      1.575735    0.00  -0.000196347  -0.000246786  -0.000648513
 C     -0.337362      2.157003      0.379798    0.00   0.000106726  -0.000065262   0.000058689
 H     -1.164119      1.988472      1.081069    0.00  -0.000003500  -0.000021474  -0.000012659
 H      0.051107      3.164724      0.563192    0.00   0.000002650  -0.000007933   0.000028481
 H     -0.770659      2.149045     -0.631852    0.00   0.000021082   0.000016018  -0.000000128
 H     -1.416842      0.061823      1.589003    0.00   0.000081820   0.000066550   0.000036340
 O     -0.437769     -0.783777     -0.722650    0.00   0.000587921   0.000403832  -0.000762239
 O     -1.425529      0.150894     -1.122759    0.00  -0.000493490   0.000453423   0.001598669
 C     -2.674529     -0.479625     -0.737712    0.00   0.000569549  -0.001332000   0.001395099
 H     -2.962545     -1.279323     -1.414003    0.00   0.000405760  -0.000241253   0.000550702
 O     -3.228443     -0.040267      0.229815    0.00  -0.001980922   0.001320176  -0.001858588
26
 Energy =      -0.187924157859
 C      2.437389     -1.196181     -0.396316    0.00   0.000110090  -0.000027868  -0.000046986
 C      2.970816      0.241490     -0.341639    0.00   0.000079674  -0.000013892  -0.000027389
 C      1.841763      1.258628     -0.551140    0.00   0.000082093  -0.000006270  -0.000007461
 C      0.758130      1.106221      0.530707    0.00   0.000091573  -0.000059489  -0.000012954
 C      0.223527     -0.340781      0.506098    0.00   0.000148180  -0.000104981  -0.000163403
 C      1.309061     -1.427863      0.611802    0.00   0.000117567  -0.000061594  -0.000045066
 H      2.245357      2.287388     -0.537264    0.00   0.000006459  -0.000000325   0.000001606
 H      3.472043      0.423847      0.628258    0.00   0.000007190  -0.000001960  -0.000002346
 H      3.748763      0.380741     -1.116230    0.00   0.000006427   0.000000352  -0.000002405
 H      2.064235     -1.413731     -1.418651    0.00   0.000009500  -0.000001794  -0.000004034
 H      3.257599     -1.914282     -0.207441    0.00   0.000010744  -0.000000857  -0.000005046
 H      1.232899      1.240876      1.539096    0.00   0.000007697  -0.000010082  -0.000000670
 H      1.687905     -1.428579      1.654376    0.00   0.000010392  -0.000002167  -0.000004281
 H      0.849050     -2.426185      0.463100    0.00   0.000012566  -0.000006356  -0.000001737
 H      1.385332      1.119201     -1.552557    0.00   0.000006898   0.000001703  -0.000000795
 O     -0.671345     -0.588100      1.578477    0.00  -0.000162905  -0.000199804  -0.000526605
 C     -0.337968      2.157367      0.379455    0.00   0.000086833  -0.000051135   0.000048070
 H     -1.163866      1.989917      1.081945    0.00  -0.000003254  -0.000017585  -0.000010683
 H      0.050892      3.165231      0.561236    0.00   0.000002313  -0.000006542   0.000023716
 H     -0.772062      2.147998     -0.631766    0.00   0.000017325   0.000013989   0.000000035
 H     -1.421872      0.056446      1.586397    0.00   0.000069714   0.000054777   0.000030509
 O     -0.440288     -0.785366     -0.719368    0.00   0.000463659   0.000321301  -0.000631230
 O     -1.423772      0.148461     -1.129558    0.00  -0.000411249   0.000414990   0.001325282
 C     -2.678612     -0.471658     -0.744855    0.00   0.000455108  -0.001139300   0.001139552
 H     -2.985898     -1.248627     -1.439109    0.00   0.000357146  -0.000180497   0.000488309
 O     -3.219328     -0.046723      0.236344    0.00  -0.001581741   0.001085383  -0.001563989
26
 Energy =      -0.187765100227
 C      2.436641     -1.195988     -0.395994    0.00   0.000082013  -0.000021712  -0.000035359
 C      2.970277      0.241587     -0.341453    0.00   0.000058773  -0.000010960  -0.000020659
 C      1.841207      1.258677     -0.551087    0.00   0.000060134  -0.000005931  -0.000006684
 C      0.757514      1.106634      0.530797    0.00   0.000066433  -0.000048079  -0.000012646
 C      0.222522     -0.340108      0.507238    0.00   0.000108390  -0.000085447  -0.000127217
 C      1.308278     -1.427433      0.612125    0.00   0.000087078  -0.000047973  -0.000034807
 H      2.244849      2.287420     -0.537392    0.00   0.000004671  -0.000000309   0.000001194
 H      3.471465      0.424009      0.628450    0.00   0.000005266  -0.000001470  -0.000001749
 H      3.748246      0.380716     -1.116032    0.00   0.000004766   0.000000225  -0.000001777
 H      2.063467     -1.413582     -1.418307    0.00   0.000007145  -0.000001401  -0.000003017
 H      3.256731     -1.914207     -0.207032    0.00   0.000008029  -0.000000667  -0.000003745
 H      1.232278      1.241707      1.539156    0.00   0.000005568  -0.000008212  -0.000000664
 H      1.687082     -1.428421      1.654716    0.00   0.000007654  -0.000001676  -0.000003345
 H      0.848023     -2.425638      0.463257    0.00   0.000009490  -0.000004980  -0.000001314
 H      1.384800      1.119067     -1.552472    0.00   0.000005202   0.000001193  -0.000000661
 O     -0.670547     -0.586997      1.581161    0.00  -0.000127489  -0.000150022  -0.000400756
 C     -0.338566      2.157710      0.379113    0.00   0.000066334  -0.000037525   0.000036702
 H     -1.163586      1.991341      1.082838    0.00  -0.000002757  -0.000013455  -0.000008360
 H      0.050661      3.165730      0.559272    0.00   0.000001891  -0.000005076   0.000018389
 H     -0.773445      2.146917     -0.631676    0.00   0.000013329   0.000011443   0.000000252
 H     -1.426930      0.050892      1.583730    0.00   0.000056589   0.000040961   0.000023913
 O     -0.442700     -0.786864     -0.716088    0.00   0.000339485   0.000241960  -0.000488923
 O     -1.422118      0.145719     -1.136348    0.00  -0.000331653   0.000342538   0.001029876
 C     -2.682708     -0.463376     -0.751748    0.00   0.000328032  -0.000906214   0.000882453
 H     -3.009323     -1.216537     -1.463421    0.00   0.000302924  -0.000106632   0.000424754
 O     -3.210388     -0.053288      0.242668    0.00  -0.001167296   0.000819423  -0.001265849
26
 Energy =      -0.187647958122
 C      2.435922     -1.195794     -0.395680    0.00   0.000054337  -0.000015086  -0.000023493
 C      2.969766      0.241687     -0.341271    0.00   0.000038451  -0.000007672  -0.000014001
 C      1.840680      1.258734     -0.551027    0.00   0.000038905  -0.000004865  -0.000005238
 C      0.756937      1.107061      0.530905    0.00   0.000042660  -0.000034691  -0.000010642
 C      0.221567     -0.339417      0.508387    0.00   0.000069938  -0.000062780  -0.000087596
 C      1.307534     -1.427000      0.612450    0.00   0.000057454  -0.000033234  -0.000023679
 H      2.244376      2.287459     -0.537515    0.00   0.000002991  -0.000000262   0.000000807
 H      3.470918      0.424166      0.628637    0.00   0.000003434  -0.000000965  -0.000001182
 H      3.747753      0.380698     -1.115841    0.00   0.000003119   0.000000126  -0.000001185
 H      2.062721     -1.413433     -1.417969    0.00   0.000004805  -0.000001009  -0.000001968
 H      3.255894     -1.914131     -0.206640    0.00   0.000005345  -0.000000449  -0.000002427
 H      1.231697      1.242571      1.539229    0.00   0.000003547  -0.000005950  -0.000000554
 H      1.686304     -1.428264      1.655056    0.00   0.000005013  -0.000001194  -0.000002337
 H      0.847020     -2.425083      0.463419    0.00   0.000006344  -0.000003459  -0.000000869
 H      1.384294      1.118944     -1.552378    0.00   0.000003546   0.000000743  -0.000000442
 O     -0.669755     -0.585899      1.583787    0.00  -0.000088799  -0.000098852  -0.000271423
 C     -0.339154      2.158033      0.378772    0.00   0.000045146  -0.000024707   0.000024364
 H     -1.163287      1.992734      1.083738    0.00  -0.000002148  -0.000009085  -0.000005550
 H      0.050409      3.166218      0.557318    0.00   0.000001445  -0.000003361   0.000012507
 H     -0.774800      2.145815     -0.631584    0.00   0.000009032   0.000008403   0.000000314
 H     -1.432020      0.045147      1.580997    0.00   0.000041160   0.000025854   0.000016435
 O     -0.445000     -0.788273     -0.712816    0.00   0.000217243   0.000166884  -0.000336325
 O     -1.420579      0.142668     -1.143125    0.00  -0.000256136   0.000232680   0.000713925
 C     -2.686794     -0.454778     -0.758381    0.00   0.000192306  -0.000627587   0.000628037
 H     -3.032727     -1.183052     -1.486881    0.00   0.000242646  -0.000022291   0.000357956
 O     -3.201632     -0.059958      0.248782    0.00  -0.000741783   0.000522809  -0.000965436
26
 Energy =      -0.187575594586
 C      2.435207     -1.195602     -0.395435    0.00   0.000027202  -0.000005170  -0.000006603
 C      2.969282      0.241781     -0.341060    0.00   0.000018617  -0.000005181  -0.000005605
 C      1.840194      1.258799     -0.550966    0.00   0.000018955  -0.000007509  -0.000001550
 C      0.756462      1.107521      0.531086    0.00   0.000012189  -0.000021861  -0.000021207
 C      0.220665     -0.338674      0.509556    0.00   0.000021177  -0.000034452  -0.000045010
 C      1.306830     -1.426536      0.612761    0.00   0.000028756  -0.000017673  -0.000011494
 H      2.243929      2.287509     -0.537766    0.00   0.000001925  -0.000000408   0.000004523
 H      3.470290      0.424237      0.628927    0.00   0.000003874   0.000001763  -0.000001983
 H      3.747374      0.380733     -1.115516    0.00   0.000000348  -0.000002185  -0.000002548
 H      2.061965     -1.413259     -1.417695    0.00   0.000001829   0.000001004  -0.000000809
 H      3.255056     -1.914069     -0.206337    0.00   0.000001900  -0.000001103  -0.000002534
 H      1.231290      1.243464      1.539328    0.00  -0.000001992  -0.000002612   0.000002486
 H      1.685662     -1.427999      1.655349    0.00  -0.000000723  -0.000002728   0.000000260
 H      0.846027     -2.424497      0.463679    0.00   0.000004590  -0.000001706  -0.000003316
 H      1.383806      1.118733     -1.552251    0.00  -0.000001900   0.000001555  -0.000004108
 O     -0.669010     -0.584792      1.586327    0.00  -0.000044269  -0.000039018  -0.000134237
 C     -0.339713      2.158315      0.378516    0.00   0.000024027  -0.000010893   0.000012338
 H     -1.163081      1.993858      1.084532    0.00  -0.000000173  -0.000003513  -0.000002152
 H      0.050050      3.166666      0.555734    0.00   0.000000562  -0.000001839   0.000005812
 H     -0.775928      2.144839     -0.631488    0.00   0.000003679   0.000003981  -0.000000142
 H     -1.436969      0.039510      1.578390    0.00   0.000026155   0.000002777   0.000005457
 O     -0.447232     -0.789567     -0.709521    0.00   0.000114555   0.000085832  -0.000182999
 O     -1.419206      0.139235     -1.150045    0.00  -0.000187945   0.000092493   0.000388634
 C     -2.690856     -0.445913     -0.764735    0.00   0.000057858  -0.000324458   0.000383648
 H     -3.055969     -1.148512     -1.509244    0.00   0.000179429   0.000091123   0.000296477
 O     -3.193018     -0.066696      0.254700    0.00  -0.000310626   0.000201781  -0.000673339
26
 Energy =      -0.187551122136
 C      2.363417     -1.219147     -0.397841    0.00   0.000001042   0.000002707   0.000005468
 C      2.897683      0.218148     -0.343597    0.00   0.000000037  -0.000000982   0.000001206
 C      1.768585      1.235135     -0.553600    0.00   0.000000165  -0.000004857   0.000001448
 C      0.684825      1.084243      0.528528    0.00  -0.000008409  -0.000003077  -0.000014302
 C      0.148686     -0.361682      0.508028    0.00  -0.000011463   0.000002295  -0.000000261
 C      1.235036     -1.449841      0.610382    0.00   0.000000469  -0.000000477   0.000000681
 H      2.172389      2.263822     -0.540588    0.00   0.000000433  -0.000000282   0.000004084
 H      3.398670      0.400655      0.626390    0.00   0.000002256   0.000002287  -0.000001448
 H      3.675785      0.356991     -1.118053    0.00  -0.000001202  -0.000002228  -0.000002035
 H      1.990148     -1.436863     -1.420073    0.00  -0.000000517   0.000001489   0.000000127
 H      3.183160     -1.937722     -0.208671    0.00  -0.000000683  -0.000000859  -0.000001283
 H      1.159647      1.220679      1.536723    0.00  -0.000003696   0.000000699   0.000002838
 H      1.613836     -1.451598      1.652982    0.00  -0.000003137  -0.000002010   0.000001599
 H      0.773935     -2.447665      0.461133    0.00   0.000001541   0.000000001  -0.000002886
 H      1.312211      1.094896     -1.554847    0.00  -0.000003857   0.000001182  -0.000003948
 O     -0.739348     -0.607460      1.586128    0.00   0.000008394   0.000001833   0.000007347
 C     -0.411427      2.134858      0.375458    0.00   0.000001310   0.000001417  -0.000000150
 H     -1.233845      1.971520      1.082792    0.00   0.000001071   0.000001421   0.000000904
 H     -0.021366      3.143403      0.550989    0.00   0.000000127   0.000000269  -0.000000952
 H     -0.848420      2.119915     -0.634090    0.00  -0.000001321  -0.000001347  -0.000001006
 H     -1.513342      0.009412      1.572765    0.00  -0.000001629  -0.000003475  -0.000002836
 O     -0.520378     -0.814505     -0.708985    0.00   0.000010914  -0.000010914  -0.000006075
 O     -1.489124      0.111688     -1.159462    0.00   0.000003209   0.000015608   0.000011784
 C     -2.765912     -0.460225     -0.773405    0.00   0.000003847  -0.000005621   0.000003304
 H     -3.149951     -1.135347     -1.533098    0.00   0.000000010   0.000002230  -0.000000919
 O     -3.255925     -0.097353      0.257561    0.00   0.000001088   0.000002692  -0.000002688
26
 Energy =      -0.187576074297
 C      2.433903     -1.195219     -0.394842    0.00  -0.000025375   0.000010291   0.000017336
 C      2.968360      0.241988     -0.340729    0.00  -0.000018561   0.000003172   0.000007706
 C      1.839252      1.258945     -0.550829    0.00  -0.000019071  -0.000001628   0.000003976
 C      0.755465      1.108439      0.531375    0.00  -0.000027999   0.000015291  -0.000009574
 C      0.218983     -0.337216      0.511905    0.00  -0.000047552   0.000024925   0.000050123
 C      1.305518     -1.425673      0.613408    0.00  -0.000024180   0.000017073   0.000014389
 H      2.243125      2.287609     -0.538005    0.00  -0.000000808  -0.000000086   0.000003696
 H      3.469326      0.424547      0.629258    0.00   0.000000605   0.000002814  -0.000000846
 H      3.746472      0.380723     -1.115184    0.00  -0.000002703  -0.000002216  -0.000001434
 H      2.060607     -1.412993     -1.417046    0.00  -0.000002759   0.000001892   0.000001389
 H      3.253540     -1.913902     -0.205600    0.00  -0.000003247  -0.000000534  -0.000000051
 H      1.230280      1.245367      1.539523    0.00  -0.000005403   0.000003833   0.000003181
 H      1.684287     -1.427724      1.656020    0.00  -0.000005414  -0.000001735   0.000002562
 H      0.844120     -2.423359      0.463992    0.00  -0.000001912   0.000002123  -0.000002288
 H      1.382892      1.118532     -1.552038    0.00  -0.000004976   0.000000893  -0.000003380
 O     -0.667409     -0.582655      1.591335    0.00   0.000041881   0.000075445   0.000134724
 C     -0.340865      2.158874      0.377805    0.00  -0.000022395   0.000011655  -0.000016328
 H     -1.162333      1.996656      1.086458    0.00   0.000002358   0.000005978   0.000004327
 H      0.049494      3.167613      0.551649    0.00  -0.000001337   0.000001356  -0.000008035
 H     -0.778636      2.142465     -0.631287    0.00  -0.000005557  -0.000004114   0.000000551
 H     -1.447438      0.026787      1.572545    0.00  -0.000009108  -0.000039962  -0.000014159
 O     -0.451247     -0.791970     -0.703044    0.00  -0.000101640  -0.000046746   0.000162635
 O     -1.416765      0.131615     -1.163474    0.00  -0.000060256  -0.000308472  -0.000331647
 C     -2.698691     -0.427063     -0.776670    0.00  -0.000254477   0.000431851  -0.000096083
 H     -3.101657     -1.074708     -1.551547    0.00   0.000036580   0.000323985   0.000162933
 O     -3.176556     -0.080537      0.265827    0.00   0.000563306  -0.000527085  -0.000085702
26
 Energy =      -0.187653631006
 C      2.433295     -1.195025     -0.394511    0.00  -0.000050993   0.000015651   0.000024473
 C      2.967915      0.242097     -0.340607    0.00  -0.000036479   0.000009017   0.000012557
 C      1.838791      1.259030     -0.550742    0.00  -0.000037557   0.000007128   0.000005674
 C      0.754937      1.108893      0.531489    0.00  -0.000038682   0.000039268   0.000011548
 C      0.218179     -0.336498      0.513081    0.00  -0.000068301   0.000054912   0.000101735
 C      1.304889     -1.425275      0.613722    0.00  -0.000048852   0.000035768   0.000027375
 H      2.242768      2.287662     -0.537972    0.00  -0.000002471   0.000000430  -0.000000770
 H      3.468979      0.424768      0.629305    0.00  -0.000003133   0.000001151   0.000001054
 H      3.745946      0.380680     -1.115169    0.00  -0.000003050   0.000000051   0.000001036
 H      2.059982     -1.412879     -1.416694    0.00  -0.000004365   0.000000746   0.000002439
 H      3.252835     -1.913806     -0.205197    0.00  -0.000004942   0.000000705   0.000002597
 H      1.229674      1.246354      1.539629    0.00  -0.000003389   0.000006864   0.000000731
 H      1.683533     -1.427724      1.656378    0.00  -0.000004496   0.000000707   0.000002141
 H      0.843183     -2.422808      0.464016    0.00  -0.000006667   0.000004205   0.000001125
 H      1.382463      1.118558     -1.551943    0.00  -0.000002609  -0.000000530   0.000000970
 O     -0.666548     -0.581621      1.593822    0.00   0.000078370   0.000133990   0.000263955
 C     -0.341462      2.159151      0.377380    0.00  -0.000048415   0.000020886  -0.000033578
 H     -1.161807      1.998301      1.087597    0.00   0.000003192   0.000009921   0.000007005
 H      0.049289      3.168106      0.549222    0.00  -0.000002603   0.000002529  -0.000015427
 H     -0.780203      2.141104     -0.631159    0.00  -0.000009375  -0.000007579   0.000002209
 H     -1.452964      0.019664      1.569335    0.00  -0.000023874  -0.000063529  -0.000022217
 O     -0.453069     -0.793096     -0.699858    0.00  -0.000210011  -0.000098348   0.000346920
 O     -1.415704      0.127455     -1.170049    0.00  -0.000017401  -0.000573802  -0.000714764
 C     -2.702398     -0.417101     -0.782231    0.00  -0.000407329   0.000858369  -0.000333481
 H     -3.123789     -1.035814     -1.571221    0.00  -0.000035144   0.000463694   0.000101682
 O     -3.168667     -0.087613      0.271037    0.00   0.000988575  -0.000922203   0.000203013
26
 Energy =       -0.18778528914
 C      2.432704     -1.194837     -0.394224    0.00  -0.000075402   0.000024229   0.000036016
 C      2.967494      0.242205     -0.340456    0.00  -0.000053323   0.000013950   0.000019250
 C      1.838364      1.259116     -0.550672    0.00  -0.000054368   0.000011721   0.000009192
 C      0.754496      1.109379      0.531651    0.00  -0.000055375   0.000062238   0.000019964
 C      0.217431     -0.335741      0.514266    0.00  -0.000098688   0.000090812   0.000155048
 C      1.304309     -1.424848      0.614042    0.00  -0.000071836   0.000055049   0.000041187
 H      2.242424      2.287722     -0.538088    0.00  -0.000003533   0.000000695  -0.000001209
 H      3.468548      0.424927      0.629452    0.00  -0.000004611   0.000001686   0.000001636
 H      3.745529      0.380686     -1.115024    0.00  -0.000004410   0.000000135   0.000001614
 H      2.059373     -1.412770     -1.416378    0.00  -0.000006554   0.000001213   0.000003529
 H      3.252151     -1.913713     -0.204836    0.00  -0.000007341   0.000001038   0.000003749
 H      1.229219      1.247380      1.539738    0.00  -0.000004845   0.000010908   0.000001215
 H      1.682914     -1.427599      1.656712    0.00  -0.000006559   0.000001209   0.000003368
 H      0.842275     -2.422233      0.464169    0.00  -0.000009943   0.000006374   0.000001692
 H      1.382056      1.118480     -1.551835    0.00  -0.000003956  -0.000000760   0.000001431
 O     -0.665734     -0.580575      1.596207    0.00   0.000127452   0.000194519   0.000399347
 C     -0.342037      2.159391      0.376995    0.00  -0.000073464   0.000029821  -0.000050103
 H     -1.161372      1.999709      1.088599    0.00   0.000004553   0.000014722   0.000010828
 H      0.048981      3.168564      0.547088    0.00  -0.000003906   0.000004393  -0.000022985
 H     -0.781563      2.139859     -0.631064    0.00  -0.000014266  -0.000012149   0.000002300
 H     -1.458352      0.012586      1.566218    0.00  -0.000044832  -0.000091052  -0.000034473
 O     -0.454779     -0.794127     -0.696692    0.00  -0.000296413  -0.000156737   0.000527676
 O     -1.414839      0.122937     -1.176650    0.00   0.000014025  -0.000869208  -0.001101141
 C     -2.705998     -0.406867     -0.787497    0.00  -0.000554555   0.001331672  -0.000552950
 H     -3.145490     -0.995672     -1.589819    0.00  -0.000103688   0.000613364   0.000046082
 O     -3.161007     -0.094760      0.276030    0.00   0.001405838  -0.001339841   0.000477737
26
 Energy =      -0.187972404079
 C      2.432128     -1.194647     -0.393947    0.00  -0.000099027   0.000032977   0.000047477
 C      2.967087      0.242314     -0.340305    0.00  -0.000069816   0.000019172   0.000025803
 C      1.837952      1.259209     -0.550599    0.00  -0.000070559   0.000017016   0.000012896
 C      0.754074      1.109874      0.531818    0.00  -0.000071690   0.000086257   0.000028319
 C      0.216706     -0.334974      0.515449    0.00  -0.000128016   0.000128088   0.000209103
 C      1.303750     -1.424420      0.614356    0.00  -0.000093781   0.000074478   0.000054596
 H      2.242101      2.287787     -0.538199    0.00  -0.000004488   0.000001010  -0.000001561
 H      3.468130      0.425082      0.629600    0.00  -0.000006033   0.000002240   0.000002190
 H      3.745128      0.380699     -1.114877    0.00  -0.000005758   0.000000248   0.000002171
 H      2.058775     -1.412658     -1.416070    0.00  -0.000008632   0.000001641   0.000004609
 H      3.251483     -1.913620     -0.204490    0.00  -0.000009651   0.000001411   0.000004918
 H      1.228779      1.248422      1.539853    0.00  -0.000006321   0.000015156   0.000001707
 H      1.682313     -1.427472      1.657042    0.00  -0.000008625   0.000001710   0.000004578
 H      0.841378     -2.421654      0.464322    0.00  -0.000013204   0.000008598   0.000002230
 H      1.381669      1.118414     -1.551726    0.00  -0.000005188  -0.000000860   0.000001864
 O     -0.664915     -0.579528      1.598551    0.00   0.000177153   0.000257284   0.000532734
 C     -0.342612      2.159616      0.376610    0.00  -0.000099673   0.000038063  -0.000068094
 H     -1.160937      2.001088      1.089600    0.00   0.000006196   0.000019621   0.000014591
 H      0.048649      3.169012      0.544979    0.00  -0.000005440   0.000006026  -0.000030874
 H     -0.782903      2.138630     -0.630970    0.00  -0.000019229  -0.000016817   0.000002551
 H     -1.463797      0.005229      1.563036    0.00  -0.000065195  -0.000122702  -0.000047426
 O     -0.456387     -0.795110     -0.693564    0.00  -0.000371500  -0.000211968   0.000706709
 O     -1.414131      0.118146     -1.183218    0.00   0.000030130  -0.001199491  -0.001489615
 C     -2.709427     -0.396338     -0.792477    0.00  -0.000687372   0.001842625  -0.000748620
 H     -3.166546     -0.954383     -1.607297    0.00  -0.000169577   0.000772780  -0.000004253
 O     -3.153548     -0.101974      0.280795    0.00   0.001805294  -0.001774562   0.000731397
26
 Energy =      -0.188215767103
 C      2.431565     -1.194455     -0.393675    0.00  -0.000121842   0.000041907   0.000058702
 C      2.966690      0.242426     -0.340156    0.00  -0.000085909   0.000024686   0.000032306
 C      1.837554      1.259309     -0.550523    0.00  -0.000086153   0.000022873   0.000016649
 C      0.753666      1.110377      0.531987    0.00  -0.000087748   0.000110963   0.000036275
 C      0.216000     -0.334197      0.516627    0.00  -0.000156582   0.000166219   0.000262639
 C      1.303210     -1.423991      0.614664    0.00  -0.000114767   0.000094026   0.000067429
 H      2.241797      2.287858     -0.538302    0.00  -0.000005357   0.000001364  -0.000001851
 H      3.467723      0.425235      0.629748    0.00  -0.000007412   0.000002811   0.000002739
 H      3.744738      0.380716     -1.114730    0.00  -0.000007065   0.000000400   0.000002725
 H      2.058193     -1.412547     -1.415769    0.00  -0.000010598   0.000002042   0.000005661
 H      3.250830     -1.913524     -0.204153    0.00  -0.000011876   0.000001817   0.000006087
 H      1.228349      1.249481      1.539970    0.00  -0.000007831   0.000019518   0.000002187
 H      1.681726     -1.427342      1.657368    0.00  -0.000010685   0.000002257   0.000005772
 H      0.840493     -2.421074      0.464472    0.00  -0.000016418   0.000010834   0.000002756
 H      1.381302      1.118361     -1.551618    0.00  -0.000006291  -0.000000854   0.000002262
 O     -0.664088     -0.578480      1.600856    0.00   0.000228699   0.000320900   0.000663360
 C     -0.343191      2.159828      0.376219    0.00  -0.000126753   0.000045494  -0.000087358
 H     -1.160497      2.002449      1.090600    0.00   0.000007904   0.000024528   0.000018386
 H      0.048296      3.169453      0.542874    0.00  -0.000007113   0.000007610  -0.000038926
 H     -0.784235      2.137410     -0.630881    0.00  -0.000024261  -0.000021464   0.000002759
 H     -1.469297     -0.002434      1.559791    0.00  -0.000086009  -0.000157296  -0.000060916
 O     -0.457895     -0.796056     -0.690480    0.00  -0.000435813  -0.000264816   0.000881030
 O     -1.413580      0.113102     -1.189741    0.00   0.000028151  -0.001560434  -0.001874582
 C     -2.712668     -0.385520     -0.797172    0.00  -0.000800747   0.002384929  -0.000918395
 H     -3.186872     -0.912002     -1.623637    0.00  -0.000230072   0.000940735  -0.000046924
 O     -3.146297     -0.109252      0.285332    0.00   0.002182549  -0.002221049   0.000959229
26
 Energy =      -0.188515539046
 C      2.431016     -1.194262     -0.393409    0.00  -0.000143800   0.000050999   0.000069602
 C      2.966301      0.242540     -0.340008    0.00  -0.000101605   0.000030481   0.000038772
 C      1.837167      1.259415     -0.550446    0.00  -0.000101187   0.000029227   0.000020347
 C      0.753267      1.110888      0.532154    0.00  -0.000103786   0.000136005   0.000043416
 C      0.215311     -0.333414      0.517798    0.00  -0.000184708   0.000204508   0.000314553
 C      1.302685     -1.423562      0.614967    0.00  -0.000134855   0.000113559   0.000079468
 H      2.241509      2.287934     -0.538399    0.00  -0.000006156   0.000001754  -0.000002080
 H      3.467326      0.425388      0.629895    0.00  -0.000008760   0.000003398   0.000003291
 H      3.744359      0.380739     -1.114584    0.00  -0.000008328   0.000000595   0.000003287
 H      2.057627     -1.412437     -1.415474    0.00  -0.000012447   0.000002421   0.000006675
 H      3.250193     -1.913426     -0.203823    0.00  -0.000014011   0.000002254   0.000007247
 H      1.227923      1.250554      1.540087    0.00  -0.000009404   0.000023908   0.000002633
 H      1.681149     -1.427210      1.657691    0.00  -0.000012753   0.000002869   0.000006936
 H      0.839618     -2.420493      0.464621    0.00  -0.000019551   0.000013053   0.000003265
 H      1.380955      1.118322     -1.551511    0.00  -0.000007258  -0.000000746   0.000002611
 O     -0.663251     -0.577430      1.603127    0.00   0.000281962   0.000385035   0.000790302
 C     -0.343775      2.160030      0.375819    0.00  -0.000154568   0.000052220  -0.000107772
 H     -1.160054      2.003797      1.091600    0.00   0.000009628   0.000029383   0.000022150
 H      0.047923      3.169887      0.540767    0.00  -0.000008911   0.000009146  -0.000047046
 H     -0.785563      2.136200     -0.630798    0.00  -0.000029329  -0.000025995   0.000002906
 H     -1.474850     -0.010419      1.556487    0.00  -0.000107021  -0.000194597  -0.000074683
 O     -0.459306     -0.796973     -0.687446    0.00  -0.000489826  -0.000316714   0.001047486
 O     -1.413185      0.107820     -1.196213    0.00   0.000007452  -0.001945437  -0.002250210
 C     -2.715704     -0.374418     -0.801578    0.00  -0.000890620   0.002951249  -0.001059484
 H     -3.206387     -0.868592     -1.638817    0.00  -0.000283417   0.001114548  -0.000080960
 O     -3.139256     -0.116592      0.289639    0.00   0.002533258  -0.002673124   0.001157287
26
 Energy =      -0.188871181157
 C      2.430477     -1.194068     -0.393148    0.00  -0.000164858   0.000060214   0.000080104
 C      2.965920      0.242656     -0.339861    0.00  -0.000116935   0.000036556   0.000045216
 C      1.836790      1.259528     -0.550369    0.00  -0.000115712   0.000036015   0.000023881
 C      0.752874      1.111405      0.532318    0.00  -0.000120103   0.000160966   0.000049301
 C      0.214632     -0.332625      0.518959    0.00  -0.000212625   0.000242233   0.000363625
 C      1.302175     -1.423131      0.615263    0.00  -0.000154133   0.000132943   0.000090493
 H      2.241235      2.288015     -0.538488    0.00  -0.000006896   0.000002181  -0.000002245
 H      3.466935      0.425541      0.630042    0.00  -0.000010085   0.000004002   0.000003845
 H      3.743988      0.380768     -1.114437    0.00  -0.000009544   0.000000836   0.000003866
 H      2.057075     -1.412329     -1.415184    0.00  -0.000014174   0.000002783   0.000007640
 H      3.249568     -1.913325     -0.203496    0.00  -0.000016050   0.000002722   0.000008394
 H      1.227496      1.251637      1.540204    0.00  -0.000011072   0.000028239   0.000003021
 H      1.680578     -1.427073      1.658010    0.00  -0.000014841   0.000003558   0.000008051
 H      0.838752     -2.419910      0.464766    0.00  -0.000022578   0.000015227   0.000003745
 H      1.380626      1.118295     -1.551408    0.00  -0.000008088  -0.000000540   0.000002893
 O     -0.662402     -0.576378      1.605366    0.00   0.000336676   0.000449331   0.000912663
 C     -0.344365      2.160221      0.375408    0.00  -0.000182973   0.000058381  -0.000129218
 H     -1.159609      2.005135      1.092598    0.00   0.000011320   0.000034127   0.000025816
 H      0.047531      3.170316      0.538654    0.00  -0.000010818   0.000010629  -0.000055140
 H     -0.786892      2.135000     -0.630721    0.00  -0.000034400  -0.000030324   0.000002978
 H     -1.480450     -0.018743      1.553130    0.00  -0.000127849  -0.000234326  -0.000088449
 O     -0.460627     -0.797875     -0.684465    0.00  -0.000534137  -0.000369432   0.001203006
 O     -1.412946      0.102317     -1.202627    0.00  -0.000031433  -0.002346451  -0.002610579
 C     -2.718518     -0.363042     -0.805695    0.00  -0.000953886   0.003533082  -0.001169568
 H     -3.225017     -0.824227     -1.652820    0.00  -0.000328015   0.001291133  -0.000105550
 O     -3.132424     -0.123988      0.293713    0.00   0.002853209  -0.003124084   0.001322211
26
 Energy =      -0.189281402211
 C      2.429947     -1.193871     -0.392890    0.00  -0.000184970   0.000069512   0.000090132
 C      2.965543      0.242777     -0.339714    0.00  -0.000131929   0.000042907   0.000051644
 C      1.836419      1.259647     -0.550291    0.00  -0.000129790   0.000043172   0.000027139
 C      0.752484      1.111929      0.532475    0.00  -0.000137004   0.000185406   0.000053464
 C      0.213960     -0.331833      0.520105    0.00  -0.000240593   0.000278599   0.000408634
 C      1.301675     -1.422700      0.615552    0.00  -0.000172688   0.000152017   0.000100272
 H      2.240971      2.288102     -0.538571    0.00  -0.000007596   0.000002640  -0.000002338
 H      3.466550      0.425697      0.630190    0.00  -0.000011397   0.000004623   0.000004410
 H      3.743623      0.380802     -1.114288    0.00  -0.000010710   0.000001123   0.000004459
 H      2.056537     -1.412222     -1.414898    0.00  -0.000015770   0.000003131   0.000008549
 H      3.248955     -1.913220     -0.203172    0.00  -0.000017991   0.000003221   0.000009525
 H      1.227064      1.252730      1.540318    0.00  -0.000012870   0.000032413   0.000003325
 H      1.680008     -1.426929      1.658326    0.00  -0.000016963   0.000004339   0.000009102
 H      0.837894     -2.419328      0.464909    0.00  -0.000025462   0.000017324   0.000004190
 H      1.380314      1.118281     -1.551310    0.00  -0.000008779  -0.000000231   0.000003095
 O     -0.661538     -0.575319      1.607579    0.00   0.000392552   0.000513391   0.001029574
 C     -0.344964      2.160405      0.374986    0.00  -0.000211818   0.000064134  -0.000151557
 H     -1.159162      2.006463      1.093594    0.00   0.000012934   0.000038698   0.000029316
 H      0.047119      3.170741      0.536532    0.00  -0.000012814   0.000012052  -0.000063120
 H     -0.788225      2.133812     -0.630651    0.00  -0.000039443  -0.000034375   0.000002964
 H     -1.486091     -0.027419      1.549729    0.00  -0.000148072  -0.000276105  -0.000101919
 O     -0.461865     -0.798773     -0.681543    0.00  -0.000569628  -0.000424814   0.001344597
 O     -1.412858      0.096611     -1.208978    0.00  -0.000086818  -0.002754307  -0.002949667
 C     -2.721098     -0.351399     -0.809521    0.00  -0.000988445   0.004120840  -0.001246921
 H     -3.242693     -0.778981     -1.665629    0.00  -0.000362534   0.001467081  -0.000120118
 O     -3.125799     -0.131437      0.297554    0.00   0.003138599  -0.003566793   0.001451251
26
 Energy =      -0.189744121853
 C      2.429425     -1.193671     -0.392635    0.00  -0.000204078   0.000078850   0.000099610
 C      2.965169      0.242900     -0.339567    0.00  -0.000146616   0.000049537   0.000058052
 C      1.836053      1.259771     -0.550214    0.00  -0.000143494   0.000050629   0.000030010
 C      0.752091      1.112457      0.532622    0.00  -0.000154804   0.000208843   0.000055440
 C      0.213289     -0.331039      0.521234    0.00  -0.000268783   0.000312780   0.000448334
 C      1.301183     -1.422266      0.615833    0.00  -0.000190589   0.000170601   0.000108593
 H      2.240715      2.288194     -0.538645    0.00  -0.000008275   0.000003130  -0.000002355
 H      3.466166      0.425855      0.630339    0.00  -0.000012708   0.000005265   0.000004987
 H      3.743263      0.380843     -1.114137    0.00  -0.000011826   0.000001461   0.000005077
 H      2.056010     -1.412117     -1.414617    0.00  -0.000017228   0.000003470   0.000009390
 H      3.248351     -1.913110     -0.202849    0.00  -0.000019827   0.000003752   0.000010634
 H      1.226620      1.253826      1.540427    0.00  -0.000014831   0.000036330   0.000003521
 H      1.679436     -1.426776      1.658637    0.00  -0.000019127   0.000005226   0.000010069
 H      0.837044     -2.418745      0.465049    0.00  -0.000028171   0.000019312   0.000004592
 H      1.380018      1.118280     -1.551217    0.00  -0.000009332   0.000000178   0.000003200
 O     -0.660656     -0.574253      1.609769    0.00   0.000449242   0.000576811   0.001140188
 C     -0.345573      2.160583      0.374550    0.00  -0.000240930   0.000069629  -0.000174645
 H     -1.158717      2.007785      1.094585    0.00   0.000014421   0.000043036   0.000032579
 H      0.046689      3.171163      0.534399    0.00  -0.000014873   0.000013404  -0.000070889
 H     -0.789566      2.132638     -0.630590    0.00  -0.000044426  -0.000038075   0.000002852
 H     -1.491765     -0.036463      1.546293    0.00  -0.000167249  -0.000319478  -0.000114771
 O     -0.463028     -0.799680     -0.678684    0.00  -0.000597448  -0.000484782   0.001469564
 O     -1.412915      0.090721     -1.215260    0.00  -0.000155986  -0.003158905  -0.003261573
 C     -2.723432     -0.339502     -0.813055    0.00  -0.000993235   0.004704088  -0.001290480
 H     -3.259359     -0.732935     -1.677235    0.00  -0.000385964   0.001638756  -0.000124369
 O     -3.119377     -0.138934      0.301160    0.00   0.003386136  -0.003993849   0.001542389
26
 Energy =      -0.190256452978
 C      2.428908     -1.193468     -0.392383    0.00  -0.000222109   0.000088179   0.000108456
 C      2.964797      0.243029     -0.339418    0.00  -0.000161026   0.000056448   0.000064445
 C      1.835689      1.259902     -0.550139    0.00  -0.000156895   0.000058306   0.000032368
 C      0.751691      1.112989      0.532757    0.00  -0.000173808   0.000230746   0.000054768
 C      0.212615     -0.330244      0.522342    0.00  -0.000297289   0.000343913   0.000481492
 C      1.300696     -1.421830      0.616105    0.00  -0.000207885   0.000188503   0.000115258
 H      2.240465      2.288292     -0.538712    0.00  -0.000008955   0.000003648  -0.000002288
 H      3.465782      0.426016      0.630491    0.00  -0.000014027   0.000005931   0.000005577
 H      3.742907      0.380890     -1.113983    0.00  -0.000012892   0.000001852   0.000005721
 H      2.055495     -1.412012     -1.414339    0.00  -0.000018542   0.000003808   0.000010155
 H      3.247755     -1.912995     -0.202526    0.00  -0.000021548   0.000004315   0.000011715
 H      1.226160      1.254924      1.540530    0.00  -0.000016989   0.000039888   0.000003586
 H      1.678857     -1.426611      1.658945    0.00  -0.000021339   0.000006235   0.000010937
 H      0.836200     -2.418163      0.465186    0.00  -0.000030659   0.000021153   0.000004947
 H      1.379738      1.118293     -1.551132    0.00  -0.000009749   0.000000686   0.000003191
 O     -0.659753     -0.573176      1.611942    0.00   0.000506354   0.000639169   0.001243707
 C     -0.346193      2.160757      0.374100    0.00  -0.000270132   0.000075008  -0.000198306
 H     -1.158274      2.009100      1.095571    0.00   0.000015735   0.000047081   0.000035533
 H      0.046239      3.171582      0.532252    0.00  -0.000016964   0.000014674  -0.000078355
 H     -0.790919      2.131480     -0.630538    0.00  -0.000049315  -0.000041360   0.000002634
 H     -1.497463     -0.045890      1.542831    0.00  -0.000184925  -0.000363913  -0.000126682
 O     -0.464123     -0.800609     -0.675891    0.00  -0.000619007  -0.000551170   0.001575624
 O     -1.413111      0.084666     -1.221469    0.00  -0.000235292  -0.003549564  -0.003540624
 C     -2.725511     -0.327359     -0.816298    0.00  -0.000968224   0.005271829  -0.001299957
 H     -3.274963     -0.686169     -1.687628    0.00  -0.000397680   0.001802400  -0.000118311
 O     -3.113155     -0.146476      0.304531    0.00   0.003593163  -0.004397763   0.001594407
26
 Energy =      -0.190814705519
 C      2.428395     -1.193261     -0.392133    0.00  -0.000238968   0.000097450   0.000116586
 C      2.964423      0.243162     -0.339267    0.00  -0.000175182   0.000063651   0.000070810
 C      1.835326      1.260040     -0.550064    0.00  -0.000170070   0.000066117   0.000034088
 C      0.751281      1.113524      0.532875    0.00  -0.000194314   0.000250575   0.000051017
 C      0.211933     -0.329452      0.523422    0.00  -0.000326110   0.000371108   0.000506949
 C      1.300212     -1.421391      0.616369    0.00  -0.000224586   0.000205494   0.000120096
 H      2.240217      2.288396     -0.538771    0.00  -0.000009656   0.000004192  -0.000002129
 H      3.465394      0.426182      0.630647    0.00  -0.000015366   0.000006622   0.000006185
 H      3.742552      0.380945     -1.113824    0.00  -0.000013907   0.000002299   0.000006396
 H      2.054990     -1.411907     -1.414065    0.00  -0.000019705   0.000004151   0.000010832
 H      3.247163     -1.912875     -0.202201    0.00  -0.000023146   0.000004912   0.000012760
 H      1.225679      1.256020      1.540624    0.00  -0.000019375   0.000042986   0.000003494
 H      1.678267     -1.426433      1.659249    0.00  -0.000023592   0.000007372   0.000011690
 H      0.835363     -2.417582      0.465320    0.00  -0.000032881   0.000022810   0.000005254
 H      1.379472      1.118319     -1.551055    0.00  -0.000010033   0.000001292   0.000003054
 O     -0.658828     -0.572084      1.614102    0.00   0.000563469   0.000700046   0.001339373
 C     -0.346827      2.160928      0.373634    0.00  -0.000299241   0.000080382  -0.000222378
 H     -1.157836      2.010411      1.096550    0.00   0.000016828   0.000050771   0.000038114
 H      0.045771      3.172000      0.530089    0.00  -0.000019058   0.000015848  -0.000085419
 H     -0.792288      2.130338     -0.630496    0.00  -0.000054073  -0.000044174   0.000002296
 H     -1.503175     -0.055716      1.539353    0.00  -0.000200646  -0.000408821  -0.000137337
 O     -0.465161     -0.801577     -0.673169    0.00  -0.000635941  -0.000625657   0.001661011
 O     -1.413436      0.078470     -1.227599    0.00  -0.000320340  -0.003915348  -0.003781546
 C     -2.727329     -0.314982     -0.819246    0.00  -0.000914376   0.005812836  -0.001275876
 H     -3.289463     -0.638766     -1.696807    0.00  -0.000397455   0.001954259  -0.000102270
 O     -3.107127     -0.154058      0.307664    0.00   0.003757724  -0.004771174   0.001606951
26
 Energy =      -0.191414413399
 C      2.427884     -1.193049     -0.391884    0.00  -0.000254550   0.000106603   0.000123899
 C      2.964046      0.243301     -0.339114    0.00  -0.000189096   0.000071152   0.000077131
 C      1.834960      1.260184     -0.549993    0.00  -0.000183099   0.000073973   0.000035038
 C      0.750854      1.114061      0.532974    0.00  -0.000216569   0.000267757   0.000043770
 C      0.211238     -0.328665      0.524471    0.00  -0.000355144   0.000393463   0.000523676
 C      1.299727     -1.420948      0.616622    0.00  -0.000240634   0.000221318   0.000122974
 H      2.239968      2.288507     -0.538821    0.00  -0.000010404   0.000004759  -0.000001875
 H      3.465000      0.426354      0.630806    0.00  -0.000016738   0.000007343   0.000006814
 H      3.742198      0.381008     -1.113658    0.00  -0.000014865   0.000002811   0.000007105
 H      2.054493     -1.411800     -1.413795    0.00  -0.000020707   0.000004504   0.000011414
 H      3.246575     -1.912747     -0.201874    0.00  -0.000024606   0.000005544   0.000013756
 H      1.225168      1.257109      1.540707    0.00  -0.000022017   0.000045529   0.000003220
 H      1.677662     -1.426238      1.659548    0.00  -0.000025876   0.000008645   0.000012311
 H      0.834532     -2.417002      0.465452    0.00  -0.000034791   0.000024241   0.000005512
 H      1.379220      1.118360     -1.550988    0.00  -0.000010187   0.000001993   0.000002772
 O     -0.657876     -0.570976      1.616254    0.00   0.000620138   0.000759033   0.001426500
 C     -0.347478      2.161098      0.373150    0.00  -0.000328083   0.000085829  -0.000246676
 H     -1.157405      2.011717      1.097520    0.00   0.000017657   0.000054043   0.000040251
 H      0.045283      3.172417      0.527908    0.00  -0.000021121   0.000016906  -0.000091988
 H     -0.793677      2.129214     -0.630466    0.00  -0.000058660  -0.000046462   0.000001827
 H     -1.508890     -0.065960      1.535869    0.00  -0.000213985  -0.000453567  -0.000146458
 O     -0.466152     -0.802599     -0.670519    0.00  -0.000650050  -0.000709587   0.001724558
 O     -1.413878      0.072153     -1.233645    0.00  -0.000406197  -0.004245480  -0.003979579
 C     -2.728879     -0.302380     -0.821901    0.00  -0.000833559   0.006315972  -0.001219629
 H     -3.302825     -0.590807     -1.704768    0.00  -0.000385483   0.002090711  -0.000076888
 O     -3.101288     -0.161678      0.310560    0.00   0.003878627  -0.005107033   0.001580564
26
 Energy =      -0.192050385657
 C      2.427373     -1.192832     -0.391636    0.00  -0.000268716   0.000115573   0.000130293
 C      2.963663      0.243448     -0.338957    0.00  -0.000202778   0.000078962   0.000083386
 C      1.834590      1.260335     -0.549924    0.00  -0.000196056   0.000081772   0.000035067
 C      0.750407      1.114598      0.533050    0.00  -0.000240789   0.000281726   0.000032661
 C      0.210527     -0.327886      0.525484    0.00  -0.000384157   0.000410092   0.000530788
 C      1.299239     -1.420501      0.616865    0.00  -0.000255917   0.000235674   0.000123781
 H      2.239716      2.288625     -0.538860    0.00  -0.000011221   0.000005346  -0.000001517
 H      3.464595      0.426534      0.630972    0.00  -0.000018154   0.000008099   0.000007465
 H      3.741843      0.381079     -1.113486    0.00  -0.000015766   0.000003390   0.000007854
 H      2.054003     -1.411691     -1.413527    0.00  -0.000021539   0.000004877   0.000011886
 H      3.245988     -1.912612     -0.201542    0.00  -0.000025910   0.000006216   0.000014688
 H      1.224623      1.258188      1.540778    0.00  -0.000024933   0.000047425   0.000002744
 H      1.677040     -1.426024      1.659843    0.00  -0.000028170   0.000010050   0.000012789
 H      0.833707     -2.416425      0.465582    0.00  -0.000036333   0.000025403   0.000005726
 H      1.378980      1.118416     -1.550933    0.00  -0.000010214   0.000002786   0.000002327
 O     -0.656893     -0.569846      1.618404    0.00   0.000675885   0.000815740   0.001504464
 C     -0.348147      2.161269      0.372646    0.00  -0.000356481   0.000091362  -0.000271035
 H     -1.156983      2.013020      1.098479    0.00   0.000018175   0.000056836   0.000041884
 H      0.044775      3.172834      0.525704    0.00  -0.000023122   0.000017828  -0.000097961
 H     -0.795091      2.128109     -0.630449    0.00  -0.000063035  -0.000048180   0.000001213
 H     -1.514597     -0.076642      1.532390    0.00  -0.000224554  -0.000497499  -0.000153802
 O     -0.467106     -0.803691     -0.667945    0.00  -0.000663240  -0.000803917   0.001765820
 O     -1.414423      0.065741     -1.239599    0.00  -0.000487618  -0.004529668  -0.004130640
 C     -2.730156     -0.289562     -0.824261    0.00  -0.000728454   0.006770532  -0.001133456
 H     -3.315021     -0.542374     -1.711516    0.00  -0.000362363   0.002208404  -0.000043084
 O     -3.095633     -0.169334      0.313215    0.00   0.003955462  -0.005398827   0.001516660
26
 Energy =      -0.192716782029
 C      2.426860     -1.192608     -0.391388    0.00  -0.000281298   0.000124287   0.000135645
 C      2.963273      0.243602     -0.338796    0.00  -0.000216230   0.000087091   0.000089539
 C      1.834213      1.260493     -0.549859    0.00  -0.000209020   0.000089400   0.000034022
 C      0.749933      1.115132      0.533097    0.00  -0.000267124   0.000291910   0.000017365
 C      0.209795     -0.327119      0.526453    0.00  -0.000412774   0.000420119   0.000527656
 C      1.298746     -1.420048      0.617097    0.00  -0.000270248   0.000248220   0.000122444
 H      2.239456      2.288751     -0.538889    0.00  -0.000012129   0.000005948  -0.000001058
 H      3.464178      0.426722      0.631145    0.00  -0.000019626   0.000008893   0.000008142
 H      3.741484      0.381162     -1.113304    0.00  -0.000016602   0.000004042   0.000008646
 H      2.053518     -1.411579     -1.413263    0.00  -0.000022191   0.000005270   0.000012240
 H      3.245401     -1.912468     -0.201206    0.00  -0.000027037   0.000006928   0.000015539
 H      1.224034      1.259251      1.540832    0.00  -0.000028141   0.000048596   0.000002045
 H      1.676396     -1.425788      1.660133    0.00  -0.000030440   0.000011580   0.000013113
 H      0.832890     -2.415852      0.465710    0.00  -0.000037453   0.000026251   0.000005900
 H      1.378753      1.118488     -1.550892    0.00  -0.000010118   0.000003666   0.000001703
 O     -0.655876     -0.568691      1.620559    0.00   0.000730211   0.000869834   0.001572698
 C     -0.348838      2.161442      0.372119    0.00  -0.000384275   0.000096926  -0.000295296
 H     -1.156572      2.014320      1.099424    0.00   0.000018345   0.000059088   0.000042956
 H      0.044247      3.173251      0.523476    0.00  -0.000025032   0.000018588  -0.000103240
 H     -0.796534      2.127025     -0.630447    0.00  -0.000067153  -0.000049284   0.000000439
 H     -1.520285     -0.087787      1.528925    0.00  -0.000232023  -0.000539976  -0.000159188
 O     -0.468036     -0.804872     -0.665446    0.00  -0.000677453  -0.000909064   0.001785092
 O     -1.415055      0.059256     -1.245457    0.00  -0.000559360  -0.004758509  -0.004231433
 C     -2.731159     -0.276540     -0.826326    0.00  -0.000602368   0.007166580  -0.001020416
 H     -3.326032     -0.493549     -1.717052    0.00  -0.000329068   0.002304369  -0.000002073
 O     -3.090155     -0.177021      0.315628    0.00   0.003988607  -0.005640755   0.001417519
26
 Energy =      -0.193407212209
 C      2.426344     -1.192376     -0.391140    0.00  -0.000292101   0.000132661   0.000139816
 C      2.962872      0.243766     -0.338629    0.00  -0.000229435   0.000095541   0.000095541
 C      1.833826      1.260660     -0.549800    0.00  -0.000222056   0.000096732   0.000031727
 C      0.749426      1.115663      0.533111    0.00  -0.000295637   0.000297763  -0.000002374
 C      0.209038     -0.326367      0.527373    0.00  -0.000440534   0.000422730   0.000513915
 C      1.298245     -1.419591      0.617316    0.00  -0.000283349   0.000258563   0.000118938
 H      2.239185      2.288886     -0.538906    0.00  -0.000013152   0.000006561  -0.000000494
 H      3.463743      0.426922      0.631327    0.00  -0.000021167   0.000009729   0.000008846
 H      3.741121      0.381256     -1.113111    0.00  -0.000017366   0.000004779   0.000009484
 H      2.053039     -1.411462     -1.413001    0.00  -0.000022648   0.000005689   0.000012463
 H      3.244812     -1.912313     -0.200865    0.00  -0.000027958   0.000007685   0.000016287
 H      1.223394      1.260293      1.540867    0.00  -0.000031645   0.000048974   0.000001106
 H      1.675726     -1.425526      1.660418    0.00  -0.000032639   0.000013212   0.000013271
 H      0.832082     -2.415284      0.465836    0.00  -0.000038092   0.000026738   0.000006039
 H      1.378537      1.118577     -1.550868    0.00  -0.000009901   0.000004632   0.000000884
 O     -0.654819     -0.567506      1.622724    0.00   0.000782604   0.000921024   0.001630717
 C     -0.349554      2.161620      0.371567    0.00  -0.000411312   0.000102372  -0.000319312
 H     -1.156177      2.015616      1.100354    0.00   0.000018125   0.000060739   0.000043409
 H      0.043697      3.173668      0.521221    0.00  -0.000026824   0.000019157  -0.000107727
 H     -0.798011      2.125962     -0.630463    0.00  -0.000070965  -0.000049735  -0.000000511
 H     -1.525942     -0.099421      1.525484    0.00  -0.000236129  -0.000580386  -0.000162505
 O     -0.468954     -0.806159     -0.663023    0.00  -0.000694582  -0.001024804   0.001783453
 O     -1.415756      0.052727     -1.251209    0.00  -0.000616434  -0.004923830  -0.004279563
 C     -2.731883     -0.263321     -0.828094    0.00  -0.000459092   0.007495251  -0.000884349
 H     -3.335843     -0.444410     -1.721385    0.00  -0.000286904   0.002376139   0.000044704
 O     -3.084850     -0.184738      0.317796    0.00   0.003979195  -0.005827915   0.001286234
26
 Energy =      -0.194114857358
 C      2.425824     -1.192136     -0.390893    0.00  -0.000300890   0.000140596   0.000142648
 C      2.962458      0.243941     -0.338456    0.00  -0.000242362   0.000104316   0.000101324
 C      1.833425      1.260835     -0.549747    0.00  -0.000235225   0.000103636   0.000027996
 C      0.748880      1.116187      0.533086    0.00  -0.000326322   0.000298751  -0.000026733
 C      0.208252     -0.325637      0.528237    0.00  -0.000466795   0.000417207   0.000489563
 C      1.297735     -1.419129      0.617523    0.00  -0.000294858   0.000266255   0.000113262
 H      2.238897      2.289030     -0.538910    0.00  -0.000014311   0.000007179   0.000000170
 H      3.463285      0.427134      0.631520    0.00  -0.000022792   0.000010611   0.000009579
 H      3.740752      0.381364     -1.112905    0.00  -0.000018048   0.000005603   0.000010375
 H      2.052564     -1.411339     -1.412743    0.00  -0.000022894   0.000006136   0.000012543
 H      3.244221     -1.912146     -0.200517    0.00  -0.000028645   0.000008489   0.000016906
 H      1.222694      1.261310      1.540879    0.00  -0.000035436   0.000048511  -0.000000092
 H      1.675029     -1.425237      1.660697    0.00  -0.000034711   0.000014915   0.000013257
 H      0.831285     -2.414724      0.465962    0.00  -0.000038194   0.000026817   0.000006155
 H      1.378332      1.118685     -1.550863    0.00  -0.000009565   0.000005670  -0.000000151
 O     -0.653719     -0.566285      1.624906    0.00   0.000832514   0.000969101   0.001678098
 C     -0.350299      2.161802      0.370987    0.00  -0.000437449   0.000107473  -0.000342961
 H     -1.155801      2.016910      1.101264    0.00   0.000017478   0.000061721   0.000043197
 H      0.043124      3.174085      0.518935    0.00  -0.000028473   0.000019501  -0.000111322
 H     -0.799529      2.124924     -0.630499    0.00  -0.000074419  -0.000049502  -0.000001660
 H     -1.531555     -0.111580      1.522076    0.00  -0.000236693  -0.000618191  -0.000163719
 O     -0.469876     -0.807573     -0.660674    0.00  -0.000716405  -0.001150208   0.001762753
 O     -1.416507      0.046180     -1.256848    0.00  -0.000654397  -0.005018998  -0.004273641
 C     -2.732325     -0.249915     -0.829566    0.00  -0.000302756   0.007749026  -0.000729731
 H     -3.344446     -0.395035     -1.724523    0.00  -0.000237448   0.002421846   0.000095612
 O     -3.079710     -0.192483      0.319716    0.00   0.003929099  -0.005956462   0.001126568
26
 Energy =      -0.194832611578
 C      2.425297     -1.191886     -0.390645    0.00  -0.000307396   0.000147981   0.000143963
 C      2.962028      0.244129     -0.338276    0.00  -0.000254968   0.000113407   0.000106801
 C      1.833006      1.261019     -0.549703    0.00  -0.000248580   0.000109943   0.000022622
 C      0.748286      1.116701      0.533015    0.00  -0.000359024   0.000294417  -0.000055792
 C      0.207434     -0.324935      0.529037    0.00  -0.000490818   0.000402935   0.000454932
 C      1.297214     -1.418662      0.617715    0.00  -0.000304328   0.000270816   0.000105469
 H      2.238589      2.289185     -0.538899    0.00  -0.000015622   0.000007795   0.000000928
 H      3.462800      0.427362      0.631725    0.00  -0.000024508   0.000011542   0.000010340
 H      3.740375      0.381489     -1.112683    0.00  -0.000018635   0.000006529   0.000011323
 H      2.052093     -1.411208     -1.412488    0.00  -0.000022916   0.000006606   0.000012466
 H      3.243626     -1.911964     -0.200163    0.00  -0.000029056   0.000009344   0.000017366
 H      1.221922      1.262293      1.540864    0.00  -0.000039499   0.000047179  -0.000001556
 H      1.674301     -1.424917      1.660970    0.00  -0.000036587   0.000016646   0.000013061
 H      0.830503     -2.414175      0.466089    0.00  -0.000037701   0.000026443   0.000006253
 H      1.378139      1.118814     -1.550881    0.00  -0.000009109   0.000006777  -0.000001415
 O     -0.652567     -0.565022      1.627113    0.00   0.000879340   0.001013934   0.001714542
 C     -0.351078      2.161989      0.370374    0.00  -0.000462553   0.000111870  -0.000366139
 H     -1.155449      2.018198      1.102149    0.00   0.000016371   0.000061968   0.000042274
 H      0.042526      3.174501      0.516618    0.00  -0.000029966   0.000019578  -0.000113925
 H     -0.801092      2.123914     -0.630560    0.00  -0.000077456  -0.000048555  -0.000003024
 H     -1.537115     -0.124304      1.518707    0.00  -0.000233618  -0.000652938  -0.000162888
 O     -0.470817     -0.809135     -0.658397    0.00  -0.000744465  -0.001283535   0.001725573
 O     -1.417285      0.039648     -1.262363    0.00  -0.000669605  -0.005039219  -0.004213335
 C     -2.732482     -0.236331     -0.830740    0.00  -0.000137662   0.007922006  -0.000561664
 H     -3.351836     -0.345504     -1.726475    0.00  -0.000182476   0.002440291   0.000148887
 O     -3.074731     -0.200253      0.321383    0.00   0.003840837  -0.006023758   0.000942938
26
 Energy =      -0.195553240165
 C      2.424763     -1.191625     -0.390397    0.00  -0.000311324   0.000154687   0.000143570
 C      2.961578      0.244333     -0.338088    0.00  -0.000267169   0.000122786   0.000111854
 C      1.832566      1.261212     -0.549670    0.00  -0.000262142   0.000115476   0.000015395
 C      0.747637      1.117200      0.532891    0.00  -0.000393462   0.000284371  -0.000089495
 C      0.206580     -0.324268      0.529766    0.00  -0.000511760   0.000379490   0.000410802
 C      1.296681     -1.418193      0.617891    0.00  -0.000311201   0.000271700   0.000095654
 H      2.238252      2.289353     -0.538871    0.00  -0.000017104   0.000008399   0.000001761
 H      3.462280      0.427609      0.631945    0.00  -0.000026331   0.000012528   0.000011130
 H      3.739988      0.381634     -1.112441    0.00  -0.000019110   0.000007560   0.000012328
 H      2.051625     -1.411067     -1.412237    0.00  -0.000022691   0.000007099   0.000012221
 H      3.243029     -1.911764     -0.199803    0.00  -0.000029155   0.000010252   0.000017629
 H      1.221068      1.263236      1.540816    0.00  -0.000043790   0.000044977  -0.000003296
 H      1.673541     -1.424563      1.661235    0.00  -0.000038177   0.000018347   0.000012679
 H      0.829741     -2.413640      0.466216    0.00  -0.000036563   0.000025572   0.000006335
 H      1.377958      1.118966     -1.550928    0.00  -0.000008539   0.000007935  -0.000002925
 O     -0.651359     -0.563708      1.629350    0.00   0.000922441   0.001055497   0.001739818
 C     -0.351897      2.162183      0.369725    0.00  -0.000486490   0.000115107  -0.000388762
 H     -1.155126      2.019478      1.103005    0.00   0.000014768   0.000061402   0.000040595
 H      0.041902      3.174914      0.514268    0.00  -0.000031297   0.000019347  -0.000115433
 H     -0.802706      2.122935     -0.630650    0.00  -0.000080011  -0.000046874  -0.000004631
 H     -1.542607     -0.137642      1.515383    0.00  -0.000226905  -0.000684293  -0.000160153
 O     -0.471796     -0.810866     -0.656187    0.00  -0.000780024  -0.001422239   0.001675131
 O     -1.418066      0.033162     -1.267742    0.00  -0.000659418  -0.004981746  -0.004099458
 C     -2.732350     -0.222579     -0.831618    0.00   0.000031822   0.008010088  -0.000385635
 H     -3.358014     -0.295893     -1.727255    0.00  -0.000123887   0.002431007   0.000202679
 O     -3.069908     -0.208045      0.322792    0.00   0.003717520  -0.006028474   0.000740209
26
 Energy =      -0.196269551848
 C      2.424222     -1.191351     -0.390150    0.00  -0.000312331   0.000160568   0.000141248
 C      2.961105      0.244554     -0.337890    0.00  -0.000278864   0.000132418   0.000116340
 C      1.832100      1.261416     -0.549651    0.00  -0.000275914   0.000120028   0.000006078
 C      0.746923      1.117680      0.532703    0.00  -0.000429184   0.000268323  -0.000127627
 C      0.205689     -0.323646      0.530414    0.00  -0.000528667   0.000346672   0.000358402
 C      1.296135     -1.417723      0.618050    0.00  -0.000314864   0.000268366   0.000083952
 H      2.237882      2.289533     -0.538826    0.00  -0.000018769   0.000008979   0.000002646
 H      3.461718      0.427879      0.632184    0.00  -0.000028265   0.000013566   0.000011944
 H      3.739591      0.381801     -1.112177    0.00  -0.000019455   0.000008707   0.000013394
 H      2.051163     -1.410916     -1.411992    0.00  -0.000022203   0.000007603   0.000011792
 H      3.242429     -1.911545     -0.199438    0.00  -0.000028892   0.000011214   0.000017656
 H      1.220118      1.264130      1.540730    0.00  -0.000048252   0.000041935  -0.000005314
 H      1.672747     -1.424173      1.661492    0.00  -0.000039390   0.000019944   0.000012108
 H      0.829003     -2.413126      0.466345    0.00  -0.000034734   0.000024168   0.000006404
 H      1.377788      1.119142     -1.551008    0.00  -0.000007859   0.000009121  -0.000004691
 O     -0.650086     -0.562336      1.631628    0.00   0.000961031   0.001093896   0.001753830
 C     -0.352760      2.162382      0.369032    0.00  -0.000509129   0.000116605  -0.000410761
 H     -1.154840      2.020746      1.103823    0.00   0.000012640   0.000059937   0.000038126
 H      0.041248      3.175321      0.511884    0.00  -0.000032468   0.000018761  -0.000115742
 H     -0.804377      2.121992     -0.630776    0.00  -0.000082009  -0.000044450  -0.000006507
 H     -1.548022     -0.151657      1.512106    0.00  -0.000216570  -0.000712093  -0.000155747
 O     -0.472831     -0.812790     -0.654036    0.00  -0.000823964  -0.001562951   0.001615161
 O     -1.418822      0.026761     -1.272970    0.00  -0.000622342  -0.004846056  -0.003934008
 C     -2.731923     -0.208670     -0.832199    0.00   0.000201347   0.008011154  -0.000207402
 H     -3.362981     -0.246281     -1.726878    0.00  -0.000063638   0.002394287   0.000255126
 O     -3.065236     -0.215856      0.323937    0.00   0.003562746  -0.005970701   0.000523591
26
 Energy =      -0.196974579697
 C      2.423673     -1.191063     -0.389906    0.00  -0.000310056   0.000165456   0.000136765
 C      2.960604      0.244795     -0.337681    0.00  -0.000289898   0.000142229   0.000120075
 C      1.831602      1.261629     -0.549650    0.00  -0.000289855   0.000123356  -0.000005559
 C      0.746134      1.118134      0.532441    0.00  -0.000465529   0.000246131  -0.000169775
 C      0.204758     -0.323080      0.530974    0.00  -0.000540536   0.000304554   0.000299420
 C      1.295577     -1.417255      0.618190    0.00  -0.000314633   0.000260265   0.000070551
 H      2.237468      2.289729     -0.538761    0.00  -0.000020624   0.000009521   0.000003545
 H      3.461106      0.428175      0.632443    0.00  -0.000030315   0.000014658   0.000012775
 H      3.739182      0.381997     -1.111886    0.00  -0.000019647   0.000009975   0.000014516
 H      2.050706     -1.410751     -1.411754    0.00  -0.000021435   0.000008113   0.000011169
 H      3.241830     -1.911301     -0.199069    0.00  -0.000028219   0.000012230   0.000017405
 H      1.219058      1.264967      1.540596    0.00  -0.000052798   0.000038121  -0.000007601
 H      1.671920     -1.423745      1.661739    0.00  -0.000040117   0.000021355   0.000011341
 H      0.828300     -2.412639      0.466478    0.00  -0.000032178   0.000022204   0.000006455
 H      1.377631      1.119347     -1.551129    0.00  -0.000007085   0.000010301  -0.000006719
 O     -0.648741     -0.560893      1.633954    0.00   0.000994247   0.001129362   0.001756610
 C     -0.353676      2.162584      0.368290    0.00  -0.000530321   0.000115671  -0.000432066
 H     -1.154600      2.021993      1.104594    0.00   0.000009955   0.000057472   0.000034830
 H      0.040560      3.175718      0.509469    0.00  -0.000033500   0.000017774  -0.000114747
 H     -0.806110      2.121094     -0.630946    0.00  -0.000083368  -0.000041289  -0.000008681
 H     -1.553349     -0.166423      1.508876    0.00  -0.000202740  -0.000736330  -0.000149980
 O     -0.473948     -0.814930     -0.651935    0.00  -0.000876679  -0.001701536   0.001549764
 O     -1.419525      0.020485     -1.278030    0.00  -0.000558164  -0.004633988  -0.003720191
 C     -2.731193     -0.194615     -0.832485    0.00   0.000366643   0.007925229  -0.000032831
 H     -3.366742     -0.196751     -1.725363    0.00  -0.000003653   0.002331183   0.000304415
 O     -3.060712     -0.223682      0.324809    0.00   0.003380504  -0.005852019   0.000298512
26
 Energy =      -0.197661768905
 C      2.423118     -1.190760     -0.389665    0.00  -0.000304121   0.000169170   0.000129886
 C      2.960070      0.245061     -0.337462    0.00  -0.000300063   0.000152120   0.000122831
 C      1.831065      1.261853     -0.549672    0.00  -0.000303884   0.000125185  -0.000019741
 C      0.745259      1.118555      0.532094    0.00  -0.000501603   0.000217851  -0.000215279
 C      0.203787     -0.322583      0.531437    0.00  -0.000546348   0.000253546   0.000236035
 C      1.295010     -1.416794      0.618309    0.00  -0.000309774   0.000246899   0.000055683
 H      2.237001      2.289940     -0.538675    0.00  -0.000022672   0.000010004   0.000004398
 H      3.460432      0.428503      0.632728    0.00  -0.000032478   0.000015799   0.000013614
 H      3.738760      0.382227     -1.111562    0.00  -0.000019661   0.000011366   0.000015686
 H      2.050256     -1.410572     -1.411525    0.00  -0.000020373   0.000008611   0.000010339
 H      3.241234     -1.911028     -0.198699    0.00  -0.000027092   0.000013295   0.000016826
 H      1.217872      1.265735      1.540408    0.00  -0.000057310   0.000033637  -0.000010141
 H      1.671063     -1.423280      1.661974    0.00  -0.000040244   0.000022478   0.000010381
 H      0.827641     -2.412188      0.466615    0.00  -0.000028882   0.000019673   0.000006471
 H      1.377488      1.119582     -1.551300    0.00  -0.000006232   0.000011429  -0.000009003
 O     -0.647313     -0.559369      1.636339    0.00   0.001021054   0.001162284   0.001748343
 C     -0.354653      2.162787      0.367491    0.00  -0.000549894   0.000111507  -0.000452592
 H     -1.154417      2.023208      1.105304    0.00   0.000006688   0.000053890   0.000030672
 H      0.039833      3.176100      0.507028    0.00  -0.000034435   0.000016339  -0.000112346
 H     -0.807909      2.120249     -0.631169    0.00  -0.000083989  -0.000037414  -0.000011185
 H     -1.558575     -0.182037      1.505686    0.00  -0.000185552  -0.000757188  -0.000143223
 O     -0.475171     -0.817310     -0.649870    0.00  -0.000938006  -0.001833147   0.001483141
 O     -1.420143      0.014381     -1.282900    0.00  -0.000467955  -0.004349853  -0.003462425
 C     -2.730154     -0.180429     -0.832480    0.00   0.000523521   0.007754586   0.000132408
 H     -3.369306     -0.147388     -1.722733    0.00   0.000054219   0.002243499   0.000348828
 O     -3.056333     -0.231518      0.325398    0.00   0.003175086  -0.005675565   0.000070393
26
 Energy =      -0.198325167767
 C      2.422557     -1.190440     -0.389431    0.00  -0.000294160   0.000171514   0.000120373
 C      2.959500      0.245355     -0.337230    0.00  -0.000309086   0.000161934   0.000124331
 C      1.830483      1.262086     -0.549725    0.00  -0.000317845   0.000125204  -0.000036669
 C      0.744285      1.118932      0.531646    0.00  -0.000536249   0.000183749  -0.000263173
 C      0.202777     -0.322172      0.531795    0.00  -0.000545077   0.000194472   0.000170831
 C      1.294436     -1.416347      0.618402    0.00  -0.000299592   0.000227884   0.000039625
 H      2.236470      2.290170     -0.538569    0.00  -0.000024904   0.000010407   0.000005131
 H      3.459685      0.428868      0.633041    0.00  -0.000034737   0.000016979   0.000014436
 H      3.738324      0.382497     -1.111201    0.00  -0.000019470   0.000012879   0.000016894
 H      2.049818     -1.410375     -1.411309    0.00  -0.000019011   0.000009083   0.000009293
 H      3.240647     -1.910722     -0.198332    0.00  -0.000025460   0.000014398   0.000015873
 H      1.216545      1.266425      1.540154    0.00  -0.000061645   0.000028634  -0.000012901
 H      1.670180     -1.422777      1.662195    0.00  -0.000039657   0.000023206   0.000009223
 H      0.827039     -2.411784      0.466755    0.00  -0.000024845   0.000016581   0.000006427
 H      1.377359      1.119849     -1.551530    0.00  -0.000005341   0.000012431  -0.000011529
 O     -0.645794     -0.557746      1.638791    0.00   0.001040175   0.001193264   0.001729358
 C     -0.355700      2.162986      0.366626    0.00  -0.000567646   0.000103236  -0.000472226
 H     -1.154308      2.024373      1.105938    0.00   0.000002807   0.000049054   0.000025626
 H      0.039059      3.176457      0.504569    0.00  -0.000035331   0.000014416  -0.000108431
 H     -0.809778      2.119467     -0.631459    0.00  -0.000083760  -0.000032879  -0.000014052
 H     -1.563688     -0.198617      1.502525    0.00  -0.000165110  -0.000775084  -0.000135888
 O     -0.476529     -0.819952     -0.647825    0.00  -0.001007151  -0.001952460   0.001419462
 O     -1.420640      0.008502     -1.287554    0.00  -0.000354095  -0.004000405  -0.003166395
 C     -2.728797     -0.166131     -0.832189    0.00   0.000667985   0.007503815   0.000282957
 H     -3.370680     -0.098289     -1.719020    0.00   0.000108267   0.002133758   0.000386824
 O     -3.052100     -0.239358      0.325691    0.00   0.002950938  -0.005446070  -0.000155398
26
 Energy =      -0.198959618142
 C      2.421994     -1.190102     -0.389208    0.00  -0.000279839   0.000172274   0.000108018
 C      2.958887      0.245681     -0.336986    0.00  -0.000316618   0.000171469   0.000124248
 C      1.829847      1.262328     -0.549815    0.00  -0.000331507   0.000123053  -0.000056482
 C      0.743202      1.119254      0.531083    0.00  -0.000568028   0.000144382  -0.000312154
 C      0.201732     -0.321863      0.532041    0.00  -0.000535802   0.000128603   0.000106769
 C      1.293861     -1.415923      0.618469    0.00  -0.000283456   0.000203001   0.000022677
 H      2.235861      2.290418     -0.538443    0.00  -0.000027303   0.000010700   0.000005641
 H      3.458850      0.429279      0.633387    0.00  -0.000037063   0.000018185   0.000015217
 H      3.737876      0.382817     -1.110794    0.00  -0.000019045   0.000014500   0.000018110
 H      2.049394     -1.410159     -1.411111    0.00  -0.000017349   0.000009512   0.000008025
 H      3.240078     -1.910375     -0.197976    0.00  -0.000023293   0.000015524   0.000014502
 H      1.215060      1.267026      1.539822    0.00  -0.000065619   0.000023305  -0.000015832
 H      1.669280     -1.422241      1.662396    0.00  -0.000038247   0.000023426   0.000007868
 H      0.826512     -2.411440      0.466901    0.00  -0.000020102   0.000012969   0.000006286
 H      1.377245      1.120150     -1.551832    0.00  -0.000004458   0.000013219  -0.000014261
 O     -0.644175     -0.556007      1.641322    0.00   0.001050063   0.001223137   0.001700154
 C     -0.356827      2.163173      0.365684    0.00  -0.000583323   0.000089929  -0.000490788
 H     -1.154291      2.025463      1.106470    0.00  -0.000001712   0.000042812   0.000019667
 H      0.038228      3.176779      0.502108    0.00  -0.000036275   0.000011975  -0.000102904
 H     -0.811715      2.118762     -0.631832    0.00  -0.000082551  -0.000027766  -0.000017315
 H     -1.568675     -0.216312      1.499375    0.00  -0.000141454  -0.000790657  -0.000128408
 O     -0.478056     -0.822880     -0.645775    0.00  -0.001082583  -0.002053837   0.001362526
 O     -1.420978      0.002909     -1.291960    0.00  -0.000220213  -0.003594897  -0.002838977
 C     -2.727112     -0.151744     -0.831620    0.00   0.000796211   0.007179934   0.000414074
 H     -3.370876     -0.049561     -1.714262    0.00   0.000156969   0.002005158   0.000417088
 O     -3.048014     -0.247191      0.325675    0.00   0.002712600  -0.005169912  -0.000373749
26
 Energy =       -0.19956094193
 C      2.421435     -1.189746     -0.389001    0.00  -0.000260921   0.000171249   0.000092663
 C      2.958227      0.246045     -0.336731    0.00  -0.000322211   0.000180436   0.000122199
 C      1.829148      1.262577     -0.549955    0.00  -0.000344540   0.000118357  -0.000079221
 C      0.741998      1.119508      0.530388    0.00  -0.000595217   0.000100637  -0.000360540
 C      0.200658     -0.321678      0.532171    0.00  -0.000517776   0.000057707   0.000047059
 C      1.293295     -1.415533      0.618503    0.00  -0.000260902   0.000172298   0.000005168
 H      2.235157      2.290685     -0.538301    0.00  -0.000029839   0.000010850   0.000005799
 H      3.457912      0.429741      0.633771    0.00  -0.000039405   0.000019393   0.000015913
 H      3.737417      0.383195     -1.110335    0.00  -0.000018364   0.000016206   0.000019294
 H      2.048992     -1.409921     -1.410935    0.00  -0.000015396   0.000009873   0.000006537
 H      3.239537     -1.909982     -0.197640    0.00  -0.000020571   0.000016647   0.000012678
 H      1.213402      1.267527      1.539399    0.00  -0.000069019   0.000017883  -0.000018862
 H      1.668376     -1.421678      1.662573    0.00  -0.000035927   0.000023033   0.000006317
 H      0.826080     -2.411174      0.467048    0.00  -0.000014720   0.000008907   0.000005996
 H      1.377146      1.120483     -1.552221    0.00  -0.000003652   0.000013677  -0.000017144
 O     -0.642447     -0.554128      1.643943    0.00   0.001048810   0.001253044   0.001661351
 C     -0.358047      2.163336      0.364652    0.00  -0.000596606   0.000070667  -0.000507995
 H     -1.154392      2.026440      1.106874    0.00  -0.000006887   0.000034996   0.000012780
 H      0.037325      3.177050      0.499668    0.00  -0.000037384   0.000009000  -0.000095672
 H     -0.813716      2.118151     -0.632310    0.00  -0.000080217  -0.000022191  -0.000020998
 H     -1.573518     -0.235306      1.496205    0.00  -0.000114472  -0.000804781  -0.000121190
 O     -0.479787     -0.826109     -0.643695    0.00  -0.001161985  -0.002131649   0.001315484
 O     -1.421115     -0.002329     -1.296082    0.00  -0.000071116  -0.003145021  -0.002488193
 C     -2.725093     -0.137300     -0.830788    0.00   0.000904685   0.006792408   0.000521884
 H     -3.369912     -0.001332     -1.708511    0.00   0.000199020   0.001861513   0.000438601
 O     -3.044080     -0.255006      0.325333    0.00   0.002464614  -0.004855137  -0.000579909
26
 Energy =      -0.200126118312
 C      2.420886     -1.189371     -0.388818    0.00  -0.000237307   0.000168241   0.000074243
 C      2.957515      0.246450     -0.336467    0.00  -0.000325332   0.000188467   0.000117757
 C      1.828377      1.262827     -0.550157    0.00  -0.000356498   0.000110723  -0.000104771
 C      0.740664      1.119679      0.529545    0.00  -0.000615855   0.000053741  -0.000406268
 C      0.199566     -0.321639      0.532183    0.00  -0.000490519  -0.000015920  -0.000005031
 C      1.292749     -1.415191      0.618502    0.00  -0.000231755   0.000136165  -0.000012575
 H      2.234340      2.290972     -0.538152    0.00  -0.000032464   0.000010818   0.000005453
 H      3.456853      0.430265      0.634196    0.00  -0.000041682   0.000020570   0.000016470
 H      3.736950      0.383642     -1.109817    0.00  -0.000017407   0.000017960   0.000020386
 H      2.048618     -1.409660     -1.410791    0.00  -0.000013180   0.000010146   0.000004836
 H      3.239041     -1.909535     -0.197335    0.00  -0.000017304   0.000017727   0.000010382
 H      1.211558      1.267920      1.538869    0.00  -0.000071604   0.000012630  -0.000021894
 H      1.667489     -1.421099      1.662719    0.00  -0.000032641   0.000021941   0.000004575
 H      0.825768     -2.411003      0.467195    0.00  -0.000008802   0.000004504   0.000005498
 H      1.377059      1.120843     -1.552711    0.00  -0.000003012   0.000013659  -0.000020093
 O     -0.640604     -0.552082      1.646665    0.00   0.001034058   0.001284519   0.001613618
 C     -0.359371      2.163461      0.363519    0.00  -0.000607106   0.000044637  -0.000523420
 H     -1.154642      2.027253      1.107108    0.00  -0.000012729   0.000025445   0.000004969
 H      0.036331      3.177252      0.497285    0.00  -0.000038794   0.000005495  -0.000086658
 H     -0.815767      2.117650     -0.632918    0.00  -0.000076602  -0.000016308  -0.000025114
 H     -1.578195     -0.255831      1.492977    0.00  -0.000083824  -0.000818552  -0.000114582
 O     -0.481760     -0.829652     -0.641550    0.00  -0.001242244  -0.002180713   0.001280576
 O     -1.421008     -0.007135     -1.299875    0.00   0.000087351  -0.002664725  -0.002123153
 C     -2.722735     -0.122841     -0.829708    0.00   0.000990400   0.006353117   0.000603705
 H     -3.367808      0.046245     -1.701836    0.00   0.000233381   0.001707194   0.000450689
 O     -3.040310     -0.262787      0.324646    0.00   0.002211471  -0.004511480  -0.000769598
26
 Energy =       -0.20065343907
 C      2.420360     -1.188979     -0.388669    0.00  -0.000209137   0.000163080   0.000052834
 C      2.956748      0.246902     -0.336198    0.00  -0.000325371   0.000195100   0.000110476
 C      1.827524      1.263074     -0.550436    0.00  -0.000366805   0.000099780  -0.000132797
 C      0.739195      1.119749      0.528539    0.00  -0.000627832   0.000005295  -0.000446938
 C      0.198472     -0.321769      0.532083    0.00  -0.000453997  -0.000089514  -0.000046437
 C      1.292240     -1.414916      0.618460    0.00  -0.000196233   0.000095423  -0.000030247
 H      2.233390      2.291275     -0.538011    0.00  -0.000035111   0.000010564   0.000004444
 H      3.455657      0.430859      0.634665    0.00  -0.000043782   0.000021670   0.000016817
 H      3.736481      0.384171     -1.109234    0.00  -0.000016169   0.000019698   0.000021302
 H      2.048283     -1.409374     -1.410687    0.00  -0.000010742   0.000010299   0.000002941
 H      3.238607     -1.909027     -0.197080    0.00  -0.000013538   0.000018718   0.000007626
 H      1.209524      1.268200      1.538218    0.00  -0.000073125   0.000007823  -0.000024803
 H      1.666643     -1.420521      1.662827    0.00  -0.000028387   0.000020100   0.000002648
 H      0.825603     -2.410949      0.467334    0.00  -0.000002503  -0.000000092   0.000004728
 H      1.376981      1.121221     -1.553320    0.00  -0.000002637   0.000013014  -0.000022999
 O     -0.638644     -0.549834      1.649496    0.00   0.001002865   0.001319585   0.001557518
 C     -0.360811      2.163524      0.362270    0.00  -0.000614348   0.000011258  -0.000536446
 H     -1.155081      2.027829      1.107124    0.00  -0.000019220   0.000014018  -0.000003739
 H      0.035219      3.177360      0.495009    0.00  -0.000040660   0.000001490  -0.000075816
 H     -0.817844      2.117280     -0.633688    0.00  -0.000071550  -0.000010297  -0.000029649
 H     -1.582670     -0.278169      1.489637    0.00  -0.000048816  -0.000833240  -0.000108808
 O     -0.484015     -0.833511     -0.639302    0.00  -0.001319447  -0.002196726   0.001258783
 O     -1.420610     -0.011422     -1.303290    0.00   0.000248491  -0.002170016  -0.001753787
 C     -2.720041     -0.108423     -0.828408    0.00   0.001051124   0.005876261   0.000658331
 H     -3.364601      0.092983     -1.694328    0.00   0.000259306   0.001547041   0.000453097
 O     -3.036718     -0.270513      0.323594    0.00   0.001957625  -0.004150334  -0.000939078
26
 Energy =      -0.201142641312
 C      2.419869     -1.188572     -0.388566    0.00  -0.000176866   0.000155647   0.000028714
 C      2.955925      0.247404     -0.335930    0.00  -0.000321687   0.000199777   0.000099935
 C      1.826581      1.263307     -0.550811    0.00  -0.000374768   0.000085260  -0.000162664
 C      0.737594      1.119702      0.527362    0.00  -0.000629078  -0.000042809  -0.000479966
 C      0.197399     -0.322090      0.531881    0.00  -0.000408711  -0.000159906  -0.000074665
 C      1.291789     -1.414727      0.618371    0.00  -0.000155119   0.000051347  -0.000047580
 H      2.232286      2.291592     -0.537901    0.00  -0.000037685   0.000010051   0.000002619
 H      3.454309      0.431531      0.635178    0.00  -0.000045560   0.000022634   0.000016864
 H      3.736018      0.384793     -1.108582    0.00  -0.000014666   0.000021339   0.000021938
 H      2.047999     -1.409064     -1.410635    0.00  -0.000008142   0.000010309   0.000000886
 H      3.238260     -1.908452     -0.196894    0.00  -0.000009367   0.000019555   0.000004455
 H      1.207303      1.268368      1.537434    0.00  -0.000073347   0.000003723  -0.000027438
 H      1.665875     -1.419967      1.662884    0.00  -0.000023235   0.000017521   0.000000551
 H      0.825619     -2.411033      0.467456    0.00   0.000003986  -0.000004702   0.000003626
 H      1.376901      1.121597     -1.554063    0.00  -0.000002633   0.000011586  -0.000025724
 O     -0.636576     -0.547342      1.652442    0.00   0.000951580   0.001360826   0.001493242
 C     -0.362377      2.163497      0.360894    0.00  -0.000617784  -0.000029636  -0.000546231
 H     -1.155758      2.028075      1.106862    0.00  -0.000026308   0.000000644  -0.000013279
 H      0.033952      3.177344      0.492911    0.00  -0.000043135  -0.000002955  -0.000063137
 H     -0.819907      2.117062     -0.634658    0.00  -0.000064926  -0.000004351  -0.000034546
 H     -1.586893     -0.302656      1.486120    0.00  -0.000008311  -0.000850171  -0.000103910
 O     -0.486585     -0.837670     -0.636910    0.00  -0.001389110  -0.002176973   0.001249642
 O     -1.419880     -0.015101     -1.306270    0.00   0.000405090  -0.001678303  -0.001390598
 C     -2.717027     -0.094117     -0.826920    0.00   0.001085791   0.005377950   0.000686443
 H     -3.360345      0.138652     -1.686103    0.00   0.000276428   0.001386234   0.000446078
 O     -3.033328     -0.278157      0.322159    0.00   0.001707563  -0.003784596  -0.001085257
26
 Energy =       -0.20159495435
 C      2.419432     -1.188155     -0.388525    0.00  -0.000141366   0.000145881   0.000002421
 C      2.955051      0.247956     -0.335674    0.00  -0.000313707   0.000201873   0.000085808
 C      1.825542      1.263513     -0.551299    0.00  -0.000379590   0.000067073  -0.000193382
 C      0.735875      1.119523      0.526013    0.00  -0.000617848  -0.000088496  -0.000502837
 C      0.196375     -0.322620      0.531599    0.00  -0.000355860  -0.000223755  -0.000088228
 C      1.291420     -1.414647      0.618229    0.00  -0.000109855   0.000005650  -0.000064327
 H      2.231010      2.291913     -0.537857    0.00  -0.000040070   0.000009248  -0.000000124
 H      3.452801      0.432286      0.635728    0.00  -0.000046837   0.000023390   0.000016517
 H      3.735570      0.385516     -1.107863    0.00  -0.000012938   0.000022774   0.000022168
 H      2.047778     -1.408731     -1.410649    0.00  -0.000005463   0.000010142  -0.000001281
 H      3.238025     -1.907806     -0.196803    0.00  -0.000004937   0.000020165   0.000000967
 H      1.204918      1.268431      1.536508    0.00  -0.000072079   0.000000544  -0.000029634
 H      1.665226     -1.419466      1.662879    0.00  -0.000017339   0.000014285  -0.000001692
 H      0.825845     -2.411276      0.467547    0.00   0.000010429  -0.000009124   0.000002152
 H      1.376807      1.121943     -1.554951    0.00  -0.000003089   0.000009259  -0.000028114
 O     -0.634423     -0.544558      1.655499    0.00   0.000875691   0.001411331   0.001420257
 C     -0.364074      2.163346      0.359386    0.00  -0.000616804  -0.000077585  -0.000551712
 H     -1.156728      2.027868      1.106250    0.00  -0.000033869  -0.000014632  -0.000023534
 H      0.032488      3.177172      0.491087    0.00  -0.000046341  -0.000007758  -0.000048682
 H     -0.821895      2.117016     -0.635867    0.00  -0.000056645   0.000001347  -0.000039681
 H     -1.590784     -0.329676      1.482348    0.00   0.000039345  -0.000870472  -0.000099666
 O     -0.489495     -0.842094     -0.634331    0.00  -0.001446426  -0.002120883   0.001251010
 O     -1.418782     -0.018085     -1.308760    0.00   0.000549869  -0.001207556  -0.001044012
 C     -2.713721     -0.080017     -0.825284    0.00   0.001094972   0.004875590   0.000690696
 H     -3.355116      0.182982     -1.677308    0.00   0.000284825   0.001230071   0.000430488
 O     -3.030170     -0.285690      0.320326    0.00   0.001465933  -0.003428361  -0.001205579
26
 Energy =      -0.202013048928
 C      2.419067     -1.187736     -0.388562    0.00  -0.000103967   0.000133801  -0.000025203
 C      2.954137      0.248555     -0.335445    0.00  -0.000301055   0.000200728   0.000067972
 C      1.824410      1.263677     -0.551919    0.00  -0.000380445   0.000045443  -0.000223613
 C      0.734070      1.119200      0.524505    0.00  -0.000593084  -0.000129737  -0.000513496
 C      0.195436     -0.323366      0.531267    0.00  -0.000297370  -0.000277824  -0.000086934
 C      1.291158     -1.414695      0.618029    0.00  -0.000062605  -0.000039654  -0.000080244
 H      2.229550      2.292228     -0.537922    0.00  -0.000042115   0.000008147  -0.000003799
 H      3.451138      0.433126      0.636305    0.00  -0.000047428   0.000023858   0.000015683
 H      3.735151      0.386344     -1.107087    0.00  -0.000011057   0.000023874   0.000021865
 H      2.047633     -1.408381     -1.410742    0.00  -0.000002814   0.000009771  -0.000003490
 H      3.237931     -1.907093     -0.196831    0.00  -0.000000452   0.000020470  -0.000002689
 H      1.202410      1.268407      1.535441    0.00  -0.000069225  -0.000001597  -0.000031243
 H      1.664742     -1.419051      1.662797    0.00  -0.000010949   0.000010557  -0.000004048
 H      0.826309     -2.411695      0.467586    0.00   0.000016569  -0.000013163   0.000000300
 H      1.376680      1.122219     -1.555990    0.00  -0.000004059   0.000005994  -0.000030016
 O     -0.632229     -0.541424      1.658649    0.00   0.000769916   0.001474351   0.001336771
 C     -0.365900      2.163031      0.357745    0.00  -0.000610798  -0.000131290  -0.000551645
 H     -1.158048      2.027070      1.105211    0.00  -0.000041685  -0.000031580  -0.000034331
 H      0.030776      3.176807      0.489655    0.00  -0.000050334  -0.000012820  -0.000032607
 H     -0.823724      2.117159     -0.637356    0.00  -0.000046715   0.000006659  -0.000044847
 H     -1.594222     -0.359635      1.478245    0.00   0.000096195  -0.000894595  -0.000095511
 O     -0.492752     -0.846721     -0.631530    0.00  -0.001486724  -0.002030736   0.001259074
 O     -1.417297     -0.020302     -1.310710    0.00   0.000676278  -0.000774716  -0.000723743
 C     -2.710171     -0.066231     -0.823545    0.00   0.001080890   0.004386600   0.000676372
 H     -3.349028      0.225668     -1.668113    0.00   0.000285161   0.001083615   0.000407866
 O     -3.027277     -0.293079      0.318093    0.00   0.001237871  -0.003096157  -0.001298444
26
 Energy =      -0.202400814252
 C      2.418795     -1.187326     -0.388691    0.00  -0.000066475   0.000119497  -0.000052998
 C      2.953199      0.249191     -0.335261    0.00  -0.000283708   0.000195743   0.000046614
 C      1.823194      1.263778     -0.552680    0.00  -0.000376587   0.000020976  -0.000251766
 C      0.732224      1.118730      0.522868    0.00  -0.000554758  -0.000164745  -0.000510807
 C      0.194622     -0.324320      0.530921    0.00  -0.000235929  -0.000319448  -0.000072235
 C      1.291026     -1.414888      0.617767    0.00  -0.000016109  -0.000082536  -0.000094949
 H      2.227906      2.292521     -0.538148    0.00  -0.000043669   0.000006762  -0.000008285
 H      3.449339      0.434043      0.636886    0.00  -0.000047167   0.000023955   0.000014305
 H      3.734775      0.387270     -1.106276    0.00  -0.000009123   0.000024500   0.000020912
 H      2.047577     -1.408023     -1.410928    0.00  -0.000000323   0.000009171  -0.000005649
 H      3.237997     -1.906321     -0.197000    0.00   0.000003841   0.000020400  -0.000006330
 H      1.199845      1.268322      1.534247    0.00  -0.000064804  -0.000002694  -0.000032142
 H      1.664468     -1.418756      1.662626    0.00  -0.000004385   0.000006574  -0.000006452
 H      0.827029     -2.412296      0.467553    0.00   0.000022149  -0.000016664  -0.000001892
 H      1.376496      1.122376     -1.557172    0.00  -0.000005526   0.000001874  -0.000031299
 O     -0.630069     -0.537875      1.661851    0.00   0.000628559   0.001552427   0.001239328
 C     -0.367839      2.162512      0.355987    0.00  -0.000599212  -0.000188518  -0.000544788
 H     -1.159772      2.025530      1.103672    0.00  -0.000049420  -0.000049731  -0.000045441
 H      0.028764      3.176219      0.488751    0.00  -0.000055063  -0.000018042  -0.000015199
 H     -0.825291      2.117504     -0.639153    0.00  -0.000035270   0.000011523  -0.000049741
 H     -1.597024     -0.392908      1.473748    0.00   0.000164322  -0.000921581  -0.000090445
 O     -0.496333     -0.851462     -0.628488    0.00  -0.001506119  -0.001911666   0.001268517
 O     -1.415429     -0.021710     -1.312083    0.00   0.000779226  -0.000393848  -0.000437585
 C     -2.706445     -0.052883     -0.821746    0.00   0.001047807   0.003926769   0.000650646
 H     -3.342223      0.266407     -1.658701    0.00   0.000278735   0.000951146   0.000380503
 O     -3.024683     -0.300300      0.315474    0.00   0.001029005  -0.002801842  -0.001362822
26
 Energy =      -0.202762912463
 C      2.418629     -1.186939     -0.388923    0.00  -0.000031057   0.000103163  -0.000079536
 C      2.952261      0.249847     -0.335142    0.00  -0.000262151   0.000186453   0.000022305
 C      1.821914      1.263797     -0.553586    0.00  -0.000367491  -0.000005298  -0.000276217
 C      0.730402      1.118121      0.521152    0.00  -0.000504111  -0.000192282  -0.000494895
 C      0.193968     -0.325459      0.530602    0.00  -0.000174564  -0.000346894  -0.000047087
 C      1.291037     -1.415234      0.617441    0.00   0.000026525  -0.000121169  -0.000107739
 H      2.226093      2.292774     -0.538585    0.00  -0.000044572   0.000005130  -0.000013330
 H      3.447446      0.435020      0.637443    0.00  -0.000045945   0.000023611   0.000012363
 H      3.734452      0.388275     -1.105462    0.00  -0.000007255   0.000024518   0.000019248
 H      2.047613     -1.407670     -1.411213    0.00   0.000001852   0.000008324  -0.000007652
 H      3.238236     -1.905508     -0.197327    0.00   0.000007677   0.000019887  -0.000009741
 H      1.197309      1.268210      1.532953    0.00  -0.000058978  -0.000002880  -0.000032289
 H      1.664440     -1.418612      1.662354    0.00   0.000001991   0.000002592  -0.000008813
 H      0.828005     -2.413075      0.467425    0.00   0.000026918  -0.000019523  -0.000004324
 H      1.376230      1.122363     -1.558476    0.00  -0.000007400  -0.000002885  -0.000031884
 O     -0.628053     -0.533847      1.665037    0.00   0.000446904   0.001645750   0.001122831
 C     -0.369864      2.161758      0.354141    0.00  -0.000581619  -0.000246180  -0.000530130
 H     -1.161937      2.023116      1.101578    0.00  -0.000056641  -0.000068347  -0.000056593
 H      0.026410      3.175384      0.488517    0.00  -0.000060346  -0.000023328   0.000003099
 H     -0.826481      2.118059     -0.641273    0.00  -0.000022594   0.000015963  -0.000053995
 H     -1.598941     -0.429750      1.468841    0.00   0.000244751  -0.000948069  -0.000083055
 O     -0.500185     -0.856208     -0.625212    0.00  -0.001501947  -0.001771311   0.001272966
 O     -1.413206     -0.022313     -1.312869    0.00   0.000855886  -0.000073885  -0.000190573
 C     -2.702624     -0.040090     -0.819916    0.00   0.001001298   0.003507972   0.000622402
 H     -3.334871      0.304946     -1.649240    0.00   0.000267451   0.000835528   0.000351295
 O     -3.022409     -0.307342      0.312507    0.00   0.000845416  -0.002556841  -0.001398656
26
 Energy =      -0.203104098789
 C      2.418574     -1.186591     -0.389261    0.00  -0.000000079   0.000085061  -0.000103177
 C      2.951351      0.250501     -0.335109    0.00  -0.000237389   0.000172595  -0.000003999
 C      1.820597      1.263720     -0.554627    0.00  -0.000352987  -0.000032056  -0.000295628
 C      0.728671      1.117391      0.519416    0.00  -0.000443625  -0.000211767  -0.000467319
 C      0.193500     -0.326740      0.530344    0.00  -0.000116427  -0.000359572  -0.000015420
 C      1.291192     -1.415730      0.617059    0.00   0.000062228  -0.000154130  -0.000117359
 H      2.224145      2.292970     -0.539271    0.00  -0.000044696   0.000003323  -0.000018579
 H      3.445515      0.436033      0.637941    0.00  -0.000043736   0.000022783   0.000009900
 H      3.734188      0.389328     -1.104688    0.00  -0.000005573   0.000023809   0.000016872
 H      2.047737     -1.407339     -1.411597    0.00   0.000003522   0.000007233  -0.000009367
 H      3.238642     -1.904679     -0.197813    0.00   0.000010796   0.000018892  -0.000012717
 H      1.194897      1.268105      1.531597    0.00  -0.000052019  -0.000002382  -0.000031735
 H      1.664675     -1.418636      1.661978    0.00   0.000007831  -0.000001158  -0.000010988
 H      0.829216     -2.414015      0.467186    0.00   0.000030654  -0.000021698  -0.000006827
 H      1.375860      1.122136     -1.559869    0.00  -0.000009521  -0.000007969  -0.000031753
 O     -0.626321     -0.529282      1.668107    0.00   0.000223588   0.001749997   0.000981334
 C     -0.371935      2.160751      0.352250    0.00  -0.000557793  -0.000300604  -0.000507196
 H     -1.164552      2.019738      1.098899    0.00  -0.000062877  -0.000086458  -0.000067463
 H      0.023690      3.174294      0.489074    0.00  -0.000065849  -0.000028564   0.000021682
 H     -0.827185      2.118825     -0.643704    0.00  -0.000009109   0.000020062  -0.000057251
 H     -1.599648     -0.470178      1.463582    0.00   0.000336063  -0.000967497  -0.000071584
 O     -0.504223     -0.860845     -0.621739    0.00  -0.001472746  -0.001618124   0.001265430
 O     -1.410687     -0.022163     -1.313087    0.00   0.000906040   0.000182564   0.000015794
 C     -2.698788     -0.027947     -0.818059    0.00   0.000947317   0.003136274   0.000600830
 H     -3.327144      0.341149     -1.639845    0.00   0.000253516   0.000737672   0.000323380
 O     -3.020451     -0.314223      0.309257    0.00   0.000692871  -0.002368287  -0.001406862
26
 Energy =      -0.203428367177
 C      2.418622     -1.186295     -0.389700    0.00   0.000024059   0.000065541  -0.000122107
 C      2.950493      0.251127     -0.335177    0.00  -0.000210838   0.000154128  -0.000031102
 C      1.819277      1.263536     -0.555785    0.00  -0.000333332  -0.000057916  -0.000309228
 C      0.727096      1.116566      0.517719    0.00  -0.000376633  -0.000223066  -0.000430818
 C      0.193229     -0.328111      0.530169    0.00  -0.000064462  -0.000357998   0.000018493
 C      1.291473     -1.416362      0.616632    0.00   0.000088376  -0.000180311  -0.000121861
 H      2.222107      2.293091     -0.540230    0.00  -0.000043959   0.000001410  -0.000023664
 H      3.443607      0.437050      0.638343    0.00  -0.000040616   0.000021461   0.000007016
 H      3.733983      0.390384     -1.103999    0.00  -0.000004187   0.000022280   0.000013854
 H      2.047929     -1.407046     -1.412070    0.00   0.000004482   0.000005902  -0.000010643
 H      3.239191     -1.903868     -0.198447    0.00   0.000012955   0.000017387  -0.000015075
 H      1.192698      1.268034      1.530220    0.00  -0.000044262  -0.000001468  -0.000030616
 H      1.665169     -1.418833      1.661503    0.00   0.000012837  -0.000004497  -0.000012770
 H      0.830622     -2.415090      0.466827    0.00   0.000033137  -0.000023177  -0.000009162
 H      1.375372      1.121667     -1.561313    0.00  -0.000011690  -0.000013012  -0.000030963
 O     -0.625034     -0.524137      1.670936    0.00  -0.000035908   0.001854429   0.000810294
 C     -0.374007      2.159494      0.350364    0.00  -0.000527700  -0.000347960  -0.000476262
 H     -1.167602      2.015369      1.095640    0.00  -0.000067706  -0.000102935  -0.000077693
 H      0.020604      3.172958      0.490504    0.00  -0.000071112  -0.000033586   0.000039816
 H     -0.827318      2.119804     -0.646414    0.00   0.000004673   0.000023950  -0.000059222
 H     -1.598785     -0.513867      1.458138    0.00   0.000432748  -0.000970172  -0.000054356
 O     -0.508345     -0.865276     -0.618131    0.00  -0.001417874  -0.001459508   0.001238916
 O     -1.407939     -0.021353     -1.312783    0.00   0.000931653   0.000379321   0.000183308
 C     -2.695002     -0.016500     -0.816148    0.00   0.000891069   0.002810830   0.000593622
 H     -3.319188      0.375051     -1.630546    0.00   0.000238969   0.000656341   0.000299524
 O     -3.018773     -0.321003      0.305805    0.00   0.000575320  -0.002237374  -0.001389301
26
 Energy =      -0.203738126722
 C      2.418751     -1.186066     -0.390222    0.00   0.000039124   0.000044969  -0.000134389
 C      2.949701      0.251699     -0.335355    0.00  -0.000184130   0.000131186  -0.000057738
 C      1.817983      1.263242     -0.557039    0.00  -0.000309166  -0.000081651  -0.000316958
 C      0.725724      1.115675      0.516107    0.00  -0.000306882  -0.000226252  -0.000388887
 C      0.193147     -0.329519      0.530088    0.00  -0.000021311  -0.000343546   0.000050668
 C      1.291850     -1.417111      0.616186    0.00   0.000103058  -0.000198631  -0.000118721
 H      2.220028      2.293128     -0.541464    0.00  -0.000042336  -0.000000545  -0.000028287
 H      3.441781      0.438040      0.638620    0.00  -0.000036737   0.000019682   0.000003837
 H      3.733826      0.391395     -1.103435    0.00  -0.000003190   0.000019857   0.000010303
 H      2.048154     -1.406810     -1.412612    0.00   0.000004518   0.000004331  -0.000011299
 H      3.239841     -1.903104     -0.199205    0.00   0.000013949   0.000015366  -0.000016654
 H      1.190780      1.268016      1.528854    0.00  -0.000036062  -0.000000395  -0.000029121
 H      1.665897     -1.419196      1.660947    0.00   0.000016750  -0.000007293  -0.000013881
 H      0.832165     -2.416266      0.466357    0.00   0.000034140  -0.000023933  -0.000010987
 H      1.374762      1.120946     -1.562772    0.00  -0.000013698  -0.000017682  -0.000029625
 O     -0.624345     -0.518396      1.673390    0.00  -0.000316303   0.001941861   0.000609811
 C     -0.376038      2.158008      0.348526    0.00  -0.000491477  -0.000384491  -0.000438397
 H     -1.171049      2.010049      1.091825    0.00  -0.000070810  -0.000116602  -0.000086886
 H      0.017174      3.171395      0.492846    0.00  -0.000075600  -0.000038186   0.000056687
 H     -0.826826      2.121000     -0.649360    0.00   0.000018207   0.000027779  -0.000059730
 H     -1.596015     -0.560085      1.452786    0.00   0.000524742  -0.000945103  -0.000030430
 O     -0.512451     -0.869434     -0.614471    0.00  -0.001336763  -0.001300054   0.001186939
 O     -1.405028     -0.019991     -1.312018    0.00   0.000935763   0.000525032   0.000316111
 C     -2.691297     -0.005738     -0.814122    0.00   0.000836011   0.002524402   0.000604985
 H     -3.311100      0.406874     -1.621273    0.00   0.000225151   0.000588444   0.000281488
 O     -3.017311     -0.327782      0.302237    0.00   0.000493053  -0.002158545  -0.001348838
26
 Energy =      -0.204033669619
 C      2.418925     -1.185913     -0.390803    0.00   0.000043289   0.000023679  -0.000138052
 C      2.948981      0.252193     -0.335651    0.00  -0.000158941   0.000103991  -0.000082768
 C      1.816736      1.262839     -0.558374    0.00  -0.000281401  -0.000102313  -0.000319439
 C      0.724578      1.114745      0.514606    0.00  -0.000238225  -0.000221500  -0.000345333
 C      0.193226     -0.330918      0.530095    0.00   0.000010859  -0.000317936   0.000077848
 C      1.292280     -1.417951      0.615756    0.00   0.000105245  -0.000207834  -0.000105309
 H      2.217951      2.293072     -0.542972    0.00  -0.000039825  -0.000002479  -0.000032233
 H      3.440078      0.438978      0.638746    0.00  -0.000032289   0.000017501   0.000000474
 H      3.733700      0.392310     -1.103032    0.00  -0.000002664   0.000016478   0.000006372
 H      2.048365     -1.406647     -1.413193    0.00   0.000003440   0.000002504  -0.000011150
 H      3.240539     -1.902418     -0.200056    0.00   0.000013625   0.000012834  -0.000017288
 H      1.189188      1.268059      1.527515    0.00  -0.000027777   0.000000631  -0.000027470
 H      1.666819     -1.419707      1.660340    0.00   0.000019335  -0.000009389  -0.000014009
 H      0.833781     -2.417512      0.465802    0.00   0.000033451  -0.000023902  -0.000011853
 H      1.374029      1.119972     -1.564225    0.00  -0.000015369  -0.000021731  -0.000027911
 O     -0.624377     -0.512074      1.675344    0.00  -0.000591914   0.001991442   0.000387844
 C     -0.377996      2.156324      0.346770    0.00  -0.000449369  -0.000406597  -0.000395288
 H     -1.174851      2.003855      1.087481    0.00  -0.000071947  -0.000126355  -0.000094620
 H      0.013428      3.169630      0.496107    0.00  -0.000078752  -0.000042109   0.000071483
 H     -0.825677      2.122434     -0.652501    0.00   0.000030956   0.000031704  -0.000058686
 H     -1.591116     -0.607721      1.447886    0.00   0.000598640  -0.000883661  -0.000000504
 O     -0.516452     -0.873287     -0.610846    0.00  -0.001228678  -0.001141010   0.001104227
 O     -1.402002     -0.018170     -1.310849    0.00   0.000921124   0.000630757   0.000419133
 C     -2.687669      0.004402     -0.811897    0.00   0.000783328   0.002265318   0.000634274
 H     -3.302922      0.436982     -1.611866    0.00   0.000212469   0.000529776   0.000269660
 O     -3.015981     -0.334703      0.298623    0.00   0.000441392  -0.002119800  -0.001289403
26
 Energy =      -0.204313210669
 C      2.419100     -1.185846     -0.391411    0.00   0.000035478   0.000001777  -0.000131308
 C      2.948325      0.252585     -0.336070    0.00  -0.000136813   0.000072836  -0.000105266
 C      1.815547      1.262328     -0.559787    0.00  -0.000251145  -0.000119325  -0.000317705
 C      0.723664      1.113801      0.513214    0.00  -0.000174229  -0.000208932  -0.000303730
 C      0.193427     -0.332273      0.530181    0.00   0.000030560  -0.000283331   0.000097403
 C      1.292717     -1.418856      0.615387    0.00   0.000095044  -0.000206642  -0.000079751
 H      2.215910      2.292914     -0.544753    0.00  -0.000036474  -0.000004360  -0.000035384
 H      3.438524      0.439845      0.638697    0.00  -0.000027507   0.000015016  -0.000002950
 H      3.733579      0.393072     -1.102820    0.00  -0.000002660   0.000012108   0.000002196
 H      2.048499     -1.406580     -1.413771    0.00   0.000001164   0.000000359  -0.000010019
 H      3.241221     -1.901841     -0.200962    0.00   0.000011912   0.000009823  -0.000016832
 H      1.187939      1.268163      1.526197    0.00  -0.000019770   0.000001468  -0.000025848
 H      1.667885     -1.420337      1.659727    0.00   0.000020389  -0.000010515  -0.000012867
 H      0.835399     -2.418796      0.465213    0.00   0.000030952  -0.000023007  -0.000011214
 H      1.373179      1.118749     -1.565666    0.00  -0.000016546  -0.000024959  -0.000026007
 O     -0.625202     -0.505216      1.676703    0.00  -0.000830362   0.001984258   0.000161423
 C     -0.379861      2.154480      0.345111    0.00  -0.000401715  -0.000410909  -0.000349003
 H     -1.178972      1.996887      1.082620    0.00  -0.000070884  -0.000131265  -0.000100493
 H      0.009402      3.167688      0.500279    0.00  -0.000080057  -0.000045138   0.000083444
 H     -0.823854      2.124151     -0.655813    0.00   0.000042401   0.000035903  -0.000056008
 H     -1.584076     -0.655382      1.443819    0.00   0.000640933  -0.000783943   0.000032388
 O     -0.520271     -0.876826     -0.607344    0.00  -0.001093221  -0.000980917   0.000987938
 O     -1.398884     -0.015942     -1.309316    0.00   0.000889224   0.000707658   0.000496697
 C     -2.684082      0.014013     -0.809378    0.00   0.000731760   0.002020337   0.000675885
 H     -3.294651      0.465809     -1.602098    0.00   0.000200436   0.000475855   0.000263083
 O     -3.014705     -0.341936      0.295009    0.00   0.000411128  -0.002104155  -0.001216071
26
 Energy =      -0.204573574298
 C      2.419221     -1.185882     -0.392002    0.00   0.000015997  -0.000020940  -0.000113141
 C      2.947716      0.252849     -0.336619    0.00  -0.000119041   0.000038106  -0.000124573
 C      1.814417      1.261707     -0.561288    0.00  -0.000219627  -0.000132482  -0.000312876
 C      0.722970      1.112864      0.511911    0.00  -0.000117898  -0.000188921  -0.000266808
 C      0.193700     -0.333556      0.530329    0.00   0.000037797  -0.000242009   0.000107588
 C      1.293112     -1.419796      0.615142    0.00   0.000073959  -0.000194337  -0.000041722
 H      2.213930      2.292641     -0.546822    0.00  -0.000032355  -0.000006167  -0.000037661
 H      3.437129      0.440628      0.638448    0.00  -0.000022616   0.000012321  -0.000006336
 H      3.733430      0.393614     -1.102832    0.00  -0.000003214   0.000006771  -0.000002078
 H      2.048478     -1.406641     -1.414295    0.00  -0.000002224  -0.000002214  -0.000007811
 H      3.241817     -1.901402     -0.201875    0.00   0.000008906   0.000006397  -0.000015153
 H      1.187040      1.268321      1.524877    0.00  -0.000012399   0.000002065  -0.000024377
 H      1.669036     -1.421039      1.659169    0.00   0.000019812  -0.000010309  -0.000010303
 H      0.836943     -2.420086      0.464678    0.00   0.000026725  -0.000021224  -0.000008545
 H      1.372214      1.117278     -1.567108    0.00  -0.000017124  -0.000027234  -0.000024099
 O     -0.626833     -0.497896      1.677407    0.00  -0.001000644   0.001909353  -0.000046183
 C     -0.381619      2.152524      0.343552    0.00  -0.000348849  -0.000394627  -0.000301735
 H     -1.183386      1.989248      1.077237    0.00  -0.000067384  -0.000130669  -0.000104121
 H      0.005133      3.165596      0.505365    0.00  -0.000079088  -0.000047115   0.000091884
 H     -0.821336      2.126229     -0.659285    0.00   0.000052021   0.000040461  -0.000051589
 H     -1.575141     -0.701551      1.440911    0.00   0.000642237  -0.000653475   0.000063086
 O     -0.523838     -0.880044     -0.604059    0.00  -0.000931995  -0.000816994   0.000839245
 O     -1.395684     -0.013311     -1.307437    0.00   0.000840143   0.000765205   0.000551636
 C     -2.680486      0.023185     -0.806476    0.00   0.000677779   0.001777577   0.000720610
 H     -3.286274      0.493757     -1.591715    0.00   0.000188083   0.000422775   0.000259757
 O     -3.013422     -0.349670      0.291412    0.00   0.000390998  -0.002092315  -0.001134695
26
 Energy =       -0.20481131817
 C      2.419223     -1.186043     -0.392523    0.00  -0.000012878  -0.000044985  -0.000083980
 C      2.947129      0.252948     -0.337312    0.00  -0.000106379   0.000000428  -0.000140336
 C      1.813345      1.260968     -0.562901    0.00  -0.000188099  -0.000142028  -0.000305792
 C      0.722480      1.111957      0.510662    0.00  -0.000071092  -0.000162099  -0.000235615
 C      0.193995     -0.334743      0.530519    0.00   0.000034503  -0.000196341   0.000108090
 C      1.293414     -1.420733      0.615098    0.00   0.000045094  -0.000171408   0.000006843
 H      2.212040      2.292235     -0.549202    0.00  -0.000027608  -0.000007904  -0.000039044
 H      3.435900      0.441312      0.637967    0.00  -0.000017861   0.000009513  -0.000009568
 H      3.733212      0.393848     -1.103108    0.00  -0.000004295   0.000000619  -0.000006300
 H      2.048214     -1.406884     -1.414697    0.00  -0.000006397  -0.000005338  -0.000004573
 H      3.242246     -1.901142     -0.202731    0.00   0.000004905   0.000002663  -0.000012214
 H      1.186486      1.268529      1.523520    0.00  -0.000005939   0.000002477  -0.000023071
 H      1.670203     -1.421732      1.658750    0.00   0.000017724  -0.000008417  -0.000006381
 H      0.838333     -2.421348      0.464336    0.00   0.000021135  -0.000018642  -0.000003527
 H      1.371139      1.115555     -1.568577    0.00  -0.000017095  -0.000028497  -0.000022302
 O     -0.629222     -0.490219      1.677445    0.00  -0.001082916   0.001767632  -0.000212247
 C     -0.383248      2.150519      0.342089    0.00  -0.000291093  -0.000356305  -0.000255503
 H     -1.188055      1.981061      1.071320    0.00  -0.000061267  -0.000124260  -0.000105153
 H      0.000676      3.163387      0.511366    0.00  -0.000075547  -0.000047936   0.000096195
 H     -0.818098      2.128783     -0.662910    0.00   0.000059302   0.000045250  -0.000045333
 H     -1.564820     -0.744759      1.439347    0.00   0.000600983  -0.000508237   0.000085759
 O     -0.527071     -0.882911     -0.601099    0.00  -0.000750397  -0.000646772   0.000664843
 O     -1.392407     -0.010229     -1.305209    0.00   0.000773411   0.000809983   0.000585265
 C     -2.676838      0.031969     -0.803112    0.00   0.000616209   0.001528885   0.000758090
 H     -3.277805      0.521107     -1.580480    0.00   0.000174311   0.000367858   0.000257063
 O     -3.012101     -0.358093      0.287827    0.00   0.000371285  -0.002066140  -0.001051211
26
 Energy =      -0.205023853673
 C      2.419038     -1.186370     -0.392907    0.00  -0.000046768  -0.000070771  -0.000046217
 C      2.946530      0.252832     -0.338169    0.00  -0.000098665  -0.000039150  -0.000152528
 C      1.812327      1.260095     -0.564660    0.00  -0.000157714  -0.000148671  -0.000296673
 C      0.722177      1.111111      0.509428    0.00  -0.000033940  -0.000129667  -0.000209007
 C      0.194262     -0.335804      0.530732    0.00   0.000024695  -0.000148100   0.000100416
 C      1.293572     -1.421625      0.615347    0.00   0.000012788  -0.000139827   0.000061613
 H      2.210274      2.291664     -0.551932    0.00  -0.000022427  -0.000009573  -0.000039567
 H      3.434843      0.441880      0.637207    0.00  -0.000013418   0.000006679  -0.000012570
 H      3.732871      0.393660     -1.103702    0.00  -0.000005813  -0.000006034  -0.000010304
 H      2.047612     -1.407393     -1.414889    0.00  -0.000010791  -0.000009080  -0.000000551
 H      3.242427     -1.901114     -0.203442    0.00   0.000000442  -0.000001207  -0.000008134
 H      1.186280      1.268787      1.522085    0.00  -0.000000523   0.000002881  -0.000021823
 H      1.671314     -1.422294      1.658573    0.00   0.000014510  -0.000004729  -0.000001483
 H      0.839485     -2.422544      0.464383    0.00   0.000014814  -0.000015461   0.000003686
 H      1.369953      1.113568     -1.570106    0.00  -0.000016591  -0.000028836  -0.000020625
 O     -0.632266     -0.482329      1.676849    0.00  -0.001075935   0.001571747  -0.000322519
 C     -0.384713      2.148555      0.340715    0.00  -0.000228779  -0.000296832  -0.000211792
 H     -1.192917      1.972499      1.064876    0.00  -0.000052571  -0.000112206  -0.000103228
 H     -0.003870      3.161112      0.518266    0.00  -0.000069293  -0.000047457   0.000095884
 H     -0.814125      2.131951     -0.666667    0.00   0.000063807   0.000049734  -0.000037300
 H     -1.553809     -0.783774      1.439115    0.00   0.000524820  -0.000367747   0.000096249
 O     -0.529867     -0.885356     -0.598589    0.00  -0.000558688  -0.000469863   0.000477353
 O     -1.389073     -0.006603     -1.302618    0.00   0.000689152   0.000845027   0.000598217
 C     -2.673123      0.040350     -0.799243    0.00   0.000542144   0.001271634   0.000778939
 H     -3.269323      0.547937     -1.568216    0.00   0.000158159   0.000310161   0.000252219
 O     -3.010736     -0.367379      0.284238    0.00   0.000346583  -0.002012651  -0.000970254
26
 Energy =      -0.205210209068
 C      2.418600     -1.186924     -0.393073    0.00  -0.000079893  -0.000097960  -0.000004255
 C      2.945886      0.252434     -0.339217    0.00  -0.000094439  -0.000078883  -0.000161452
 C      1.811363      1.259066     -0.566597    0.00  -0.000129251  -0.000153371  -0.000284987
 C      0.722052      1.110370      0.508184    0.00  -0.000004590  -0.000093186  -0.000183886
 C      0.194466     -0.336690      0.530954    0.00   0.000012911  -0.000098702   0.000087856
 C      1.293541     -1.422417      0.615990    0.00  -0.000018312  -0.000102825   0.000116270
 H      2.208685      2.290885     -0.555061    0.00  -0.000017074  -0.000011191  -0.000039373
 H      3.433969      0.442301      0.636112    0.00  -0.000009374   0.000003877  -0.000015272
 H      3.732345      0.392913     -1.104681    0.00  -0.000007588  -0.000012695  -0.000013937
 H      2.046586     -1.408294     -1.414770    0.00  -0.000014698  -0.000013347   0.000003828
 H      3.242279     -1.901381     -0.203892    0.00  -0.000003857  -0.000004991  -0.000003223
 H      1.186433      1.269114      1.520542    0.00   0.000003931   0.000003467  -0.000020424
 H      1.672296     -1.422553      1.658756    0.00   0.000010766   0.000000420   0.000003730
 H      0.840315     -2.423625      0.465072    0.00   0.000008471  -0.000011909   0.000012284
 H      1.368649      1.111299     -1.571723    0.00  -0.000015849  -0.000028485  -0.000018930
 O     -0.635826     -0.474405      1.675694    0.00  -0.000997549   0.001343099  -0.000376108
 C     -0.385947      2.146762      0.339431    0.00  -0.000162384  -0.000220376  -0.000171201
 H     -1.197845      1.963835      1.057969    0.00  -0.000041722  -0.000095258  -0.000097953
 H     -0.008336      3.158861      0.525974    0.00  -0.000060366  -0.000045397   0.000090720
 H     -0.809428      2.135865     -0.670501    0.00   0.000065220   0.000053001  -0.000027883
 H     -1.542866     -0.817770      1.439990    0.00   0.000428683  -0.000248520   0.000093829
 O     -0.532109     -0.887247     -0.596666    0.00  -0.000371238  -0.000289480   0.000293483
 O     -1.385735     -0.002314     -1.299655    0.00   0.000589461   0.000869716   0.000591703
 C     -2.669387      0.048221     -0.794870    0.00   0.000453544   0.001009367   0.000776436
 H     -3.261013      0.574056     -1.554868    0.00   0.000138968   0.000250709   0.000242750
 O     -3.009347     -0.377673      0.280624    0.00   0.000316230  -0.001927081  -0.000894008
26
 Energy =      -0.205371290882
 C      2.417860     -1.187778     -0.392941    0.00  -0.000106776  -0.000124822   0.000036376
 C      2.945168      0.251674     -0.340487    0.00  -0.000091079  -0.000116280  -0.000167494
 C      1.810461      1.257848     -0.568734    0.00  -0.000102834  -0.000156865  -0.000269736
 C      0.722116      1.109798      0.506932    0.00   0.000020157  -0.000055002  -0.000156770
 C      0.194586     -0.337332      0.531181    0.00   0.000002698  -0.000049487   0.000074303
 C      1.293285     -1.423045      0.617121    0.00  -0.000044760  -0.000064281   0.000163523
 H      2.207343      2.289841     -0.558640    0.00  -0.000011851  -0.000012739  -0.000038621
 H      3.433309      0.442537      0.634615    0.00  -0.000005693   0.000001172  -0.000017634
 H      3.731571      0.391461     -1.106128    0.00  -0.000009370  -0.000018786  -0.000017054
 H      2.045084     -1.409741     -1.414241    0.00  -0.000017467  -0.000017789   0.000008019
 H      3.241742     -1.902020     -0.203941    0.00  -0.000007442  -0.000008422   0.000002018
 H      1.186980      1.269546      1.518886    0.00   0.000007661   0.000004299  -0.000018663
 H      1.673088     -1.422314      1.659408    0.00   0.000007049   0.000006207   0.000008432
 H      0.840742     -2.424531      0.466662    0.00   0.000002710  -0.000008186   0.000020869
 H      1.367206      1.108720     -1.573438    0.00  -0.000015100  -0.000027744  -0.000017002
 O     -0.639748     -0.466660      1.674079    0.00  -0.000877933   0.001107549  -0.000384232
 C     -0.386841      2.145311      0.338253    0.00  -0.000092863  -0.000134442  -0.000133205
 H     -1.202619      1.955481      1.050774    0.00  -0.000029677  -0.000074898  -0.000088888
 H     -0.012455      3.156771      0.534262    0.00  -0.000048960  -0.000041231   0.000081041
 H     -0.804083      2.140586     -0.674299    0.00   0.000063426   0.000053991  -0.000018028
 H     -1.532660     -0.846449      1.441574    0.00   0.000329884  -0.000159195   0.000081390
 O     -0.533680     -0.888400     -0.595455    0.00  -0.000203363  -0.000113387   0.000130087
 O     -1.382490      0.002759     -1.296325    0.00   0.000479136   0.000880617   0.000568533
 C     -2.665750      0.055379     -0.790059    0.00   0.000353345   0.000751362   0.000747777
 H     -3.253186      0.598974     -1.540558    0.00   0.000116587   0.000192435   0.000226970
 O     -3.007963     -0.389064      0.276971    0.00   0.000282517  -0.001814078  -0.000822012
26
 Energy =      -0.205509718708
 C      2.416803     -1.189005     -0.392448    0.00  -0.000124155  -0.000148335   0.000070426
 C      2.944370      0.250479     -0.342006    0.00  -0.000085711  -0.000148450  -0.000170766
 C      1.809645      1.256410     -0.571066    0.00  -0.000077876  -0.000159001  -0.000250188
 C      0.722404      1.109467      0.505722    0.00   0.000043439  -0.000018210  -0.000125990
 C      0.194621     -0.337636      0.531421    0.00  -0.000004457  -0.000002574   0.000062623
 C      1.292781     -1.423445      0.618790    0.00  -0.000065351  -0.000028145   0.000196968
 H      2.206335      2.288479     -0.562702    0.00  -0.000007023  -0.000014151  -0.000037406
 H      3.432918      0.442534      0.632655    0.00  -0.000002299  -0.000001378  -0.000019606
 H      3.730500      0.389181     -1.108120    0.00  -0.000010897  -0.000023783  -0.000019491
 H      2.043113     -1.411888     -1.413226    0.00  -0.000018751  -0.000021825   0.000011513
 H      3.240788     -1.903096     -0.203446    0.00  -0.000010035  -0.000011247   0.000006996
 H      1.187985      1.270130      1.517155    0.00   0.000010922   0.000005214  -0.000016455
 H      1.673640     -1.421406      1.660599    0.00   0.000003705   0.000011496   0.000011867
 H      0.840692     -2.425192      0.469343    0.00  -0.000002146  -0.000004449   0.000027850
 H      1.365601      1.105802     -1.575221    0.00  -0.000014417  -0.000026796  -0.000014687
 O     -0.643888     -0.459304      1.672113    0.00  -0.000748361   0.000891011  -0.000364215
 C     -0.387249      2.144395      0.337223    0.00  -0.000022086  -0.000048745  -0.000096491
 H     -1.206909      1.947994      1.043627    0.00  -0.000017878  -0.000053293  -0.000075784
 H     -0.015861      3.155033      0.542717    0.00  -0.000035447  -0.000034338   0.000068062
 H     -0.798260      2.146040     -0.677873    0.00   0.000058573   0.000052048  -0.000009204
 H     -1.523639     -0.870042      1.443397    0.00   0.000242455  -0.000099639   0.000063936
 O     -0.534497     -0.888605     -0.595040    0.00  -0.000067192   0.000047100  -0.000000491
 O     -1.379478      0.008684     -1.292668    0.00   0.000365389   0.000873392   0.000533439
 C     -2.662406      0.061535     -0.784960    0.00   0.000249932   0.000510903   0.000694394
 H     -3.246272      0.621934     -1.525625    0.00   0.000091701   0.000139469   0.000204556
 O     -3.006622     -0.401557      0.273281    0.00   0.000247965  -0.001686275  -0.000751855
26
 Energy =       -0.20562934075
 C      2.415456     -1.190642     -0.391576    0.00  -0.000132101  -0.000165449   0.000094481
 C      2.943523      0.248805     -0.343781    0.00  -0.000076645  -0.000173036  -0.000170833
 C      1.808960      1.254743     -0.573538    0.00  -0.000053487  -0.000158639  -0.000226652
 C      0.722978      1.109442      0.504642    0.00   0.000066915   0.000013912  -0.000093052
 C      0.194580     -0.337508      0.531693    0.00  -0.000008757   0.000039415   0.000053573
 C      1.292017     -1.423568      0.620965    0.00  -0.000080952   0.000002118   0.000213191
 H      2.205753      2.286767     -0.567224    0.00  -0.000002749  -0.000015290  -0.000035674
 H      3.432874      0.442242      0.630200    0.00   0.000000806  -0.000003724  -0.000021087
 H      3.729127      0.386023     -1.110699    0.00  -0.000011947  -0.000027388  -0.000021060
 H      2.040757     -1.414821     -1.411715    0.00  -0.000018653  -0.000024812   0.000013960
 H      3.239429     -1.904644     -0.202307    0.00  -0.000011690  -0.000013288   0.000011120
 H      1.189527      1.270893      1.515431    0.00   0.000013850   0.000005893  -0.000013931
 H      1.673909     -1.419764      1.662314    0.00   0.000000821   0.000015272   0.000013646
 H      0.840105     -2.425539      0.473122    0.00  -0.000006053  -0.000000894   0.000032047
 H      1.363827      1.102548     -1.576998    0.00  -0.000013642  -0.000025581  -0.000012025
 O     -0.648129     -0.452488      1.669900    0.00  -0.000631530   0.000714080  -0.000332464
 C     -0.387005      2.144190      0.336419    0.00   0.000046747   0.000027444  -0.000059967
 H     -1.210296      1.941993      1.037037    0.00  -0.000007764  -0.000032911  -0.000059157
 H     -0.018126      3.153862      0.550772    0.00  -0.000020587  -0.000024615   0.000053802
 H     -0.792239      2.151974     -0.680966    0.00   0.000051253   0.000047395  -0.000002865
 H     -1.515982     -0.889182      1.445043    0.00   0.000173727  -0.000063617   0.000046359
 O     -0.534546     -0.887701     -0.595427    0.00   0.000031702   0.000180338  -0.000093374
 O     -1.376870      0.015416     -1.288767    0.00   0.000256335   0.000845828   0.000492176
 C     -2.659586      0.066384     -0.779790    0.00   0.000154360   0.000301713   0.000622215
 H     -3.240737      0.642080     -1.510599    0.00   0.000066145   0.000095611   0.000177097
 O     -3.005364     -0.415045      0.269573    0.00   0.000213897  -0.001559777  -0.000681526
26
 Energy =      -0.205734494029
 C      2.413879     -1.192665     -0.390369    0.00  -0.000133314  -0.000174677   0.000107679
 C      2.942688      0.246667     -0.345777    0.00  -0.000064157  -0.000189198  -0.000167049
 C      1.808473      1.252877     -0.576056    0.00  -0.000029089  -0.000154534  -0.000200630
 C      0.723902      1.109756      0.503787    0.00   0.000090169   0.000039260  -0.000061615
 C      0.194479     -0.336885      0.532004    0.00  -0.000011188   0.000074203   0.000046337
 C      1.290989     -1.423404      0.623518    0.00  -0.000093197   0.000024424   0.000213052
 H      2.205684      2.284730     -0.572083    0.00   0.000000953  -0.000016007  -0.000033354
 H      3.433246      0.441617      0.627293    0.00   0.000003475  -0.000005844  -0.000021903
 H      3.727510      0.382044     -1.113827    0.00  -0.000012385  -0.000029590  -0.000021627
 H      2.038155     -1.418491     -1.409781    0.00  -0.000017661  -0.000026368   0.000015248
 H      3.237712     -1.906647     -0.200522    0.00  -0.000012701  -0.000014543   0.000013974
 H      1.191668      1.271812      1.513820    0.00   0.000016410   0.000006090  -0.000011376
 H      1.673853     -1.417484      1.664439    0.00  -0.000001628   0.000017082   0.000013925
 H      0.838947     -2.425528      0.477770    0.00  -0.000009160   0.000002191   0.000033179
 H      1.361935      1.099035     -1.578672    0.00  -0.000012523  -0.000023912  -0.000009273
 O     -0.652381     -0.446242      1.667529    0.00  -0.000537525   0.000586407  -0.000300285
 C     -0.385977      2.144794      0.335938    0.00   0.000109384   0.000088380  -0.000024062
 H     -1.212384      1.937981      1.031574    0.00   0.000000061  -0.000015644  -0.000040886
 H     -0.018882      3.153434      0.557855    0.00  -0.000005775  -0.000013316   0.000040354
 H     -0.786361      2.158014     -0.683315    0.00   0.000042657   0.000041164   0.000000636
 H     -1.509628     -0.904673      1.446260    0.00   0.000124479  -0.000042978   0.000031871
 O     -0.533907     -0.885658     -0.596523    0.00   0.000094957   0.000279252  -0.000151255
 O     -1.374821      0.022763     -1.284740    0.00   0.000158909   0.000800252   0.000450112
 C     -2.657489      0.069704     -0.774789    0.00   0.000075369   0.000133123   0.000540774
 H     -3.236926      0.658747     -1.496076    0.00   0.000042582   0.000062496   0.000148052
 O     -3.004231     -0.429310      0.265883    0.00   0.000180900  -0.001447713  -0.000611878
26
 Energy =      -0.205829182935
 C      2.412142     -1.194987     -0.388926    0.00  -0.000131198  -0.000176755   0.000111400
 C      2.941937      0.244139     -0.347917    0.00  -0.000049930  -0.000197900  -0.000159239
 C      1.808257      1.250889     -0.578509    0.00  -0.000004852  -0.000146487  -0.000174132
 C      0.725216      1.110393      0.503212    0.00   0.000111436   0.000057533  -0.000035019
 C      0.194332     -0.335766      0.532347    0.00  -0.000012507   0.000101013   0.000039941
 C      1.289704     -1.422988      0.626257    0.00  -0.000103305   0.000038729   0.000200852
 H      2.206186      2.282447     -0.577074    0.00   0.000004190  -0.000016204  -0.000030477
 H      3.434050      0.440638      0.624054    0.00   0.000005568  -0.000007739  -0.000021925
 H      3.725759      0.377398     -1.117366    0.00  -0.000012189  -0.000030610  -0.000021218
 H      2.035447     -1.422708     -1.407570    0.00  -0.000016372  -0.000026508   0.000015458
 H      3.235695     -1.909037     -0.198206    0.00  -0.000013372  -0.000015184   0.000015451
 H      1.194410      1.272814      1.512407    0.00   0.000018459   0.000005789  -0.000009064
 H      1.673444     -1.414798      1.666794    0.00  -0.000003667   0.000017141   0.000013226
 H      0.837220     -2.425163      0.482888    0.00  -0.000011646   0.000004555   0.000031855
 H      1.360037      1.095421     -1.580157    0.00  -0.000010942  -0.000021725  -0.000006771
 O     -0.656580     -0.440464      1.665074    0.00  -0.000466291   0.000504817  -0.000273009
 C     -0.384122      2.146194      0.335859    0.00   0.000161899   0.000133170   0.000008978
 H     -1.212941      1.936165      1.027673    0.00   0.000006140  -0.000002156  -0.000023761
 H     -0.017944      3.153823      0.563595    0.00   0.000007260  -0.000002802   0.000028974
 H     -0.780922      2.163805     -0.684743    0.00   0.000034306   0.000034780   0.000002396
 H     -1.504362     -0.917302      1.446999    0.00   0.000091501  -0.000030911   0.000021602
 O     -0.532740     -0.882606     -0.598161    0.00   0.000129377   0.000344113  -0.000181759
 O     -1.373420      0.030430     -1.280708    0.00   0.000077151   0.000743371   0.000411029
 C     -2.656204      0.071451     -0.770144    0.00   0.000015668   0.000006422   0.000460844
 H     -3.234936      0.671728     -1.482515    0.00   0.000023331   0.000039026   0.000121392
 O     -3.003255     -0.444078      0.262242    0.00   0.000149985  -0.001355477  -0.000547024
26
 Energy =      -0.205916520004
 C      2.410301     -1.197500     -0.387364    0.00  -0.000128265  -0.000173761   0.000108202
 C      2.941326      0.241321     -0.350101    0.00  -0.000035762  -0.000201099  -0.000148034
 C      1.808364      1.248871     -0.580800    0.00   0.000018484  -0.000135554  -0.000148744
 C      0.726912      1.111303      0.502917    0.00   0.000129056   0.000069870  -0.000014636
 C      0.194151     -0.334207      0.532696    0.00  -0.000013126   0.000120490   0.000033920
 C      1.288181     -1.422388      0.628995    0.00  -0.000111680   0.000046555   0.000181960
 H      2.207279      2.280022     -0.581965    0.00   0.000007058  -0.000015915  -0.000027230
 H      3.435240      0.439298      0.620654    0.00   0.000007053  -0.000009420  -0.000021152
 H      3.724005      0.372279     -1.121119    0.00  -0.000011439  -0.000030762  -0.000020063
 H      2.032722     -1.427216     -1.405244    0.00  -0.000015205  -0.000025559   0.000014827
 H      3.233429     -1.911729     -0.195554    0.00  -0.000013906  -0.000015461   0.000015718
 H      1.197688      1.273816      1.511234    0.00   0.000019882   0.000005163  -0.000007131
 H      1.672682     -1.411970      1.669195    0.00  -0.000005303   0.000016046   0.000012072
 H      0.834966     -2.424490      0.488069    0.00  -0.000013636   0.000006145   0.000029064
 H      1.358277      1.091895     -1.581413    0.00  -0.000008968  -0.000019160  -0.000004733
 O     -0.660680     -0.434977      1.662583    0.00  -0.000412894   0.000457741  -0.000251474
 C     -0.381492      2.148285      0.336201    0.00   0.000202344   0.000164204   0.000036359
 H     -1.211966      1.936420      1.025476    0.00   0.000011331   0.000007900  -0.000009998
 H     -0.015366      3.154982      0.567909    0.00   0.000017331   0.000005044   0.000019904
 H     -0.776072      2.169134     -0.685224    0.00   0.000027379   0.000029238   0.000003821
 H     -1.499913     -0.927729      1.447360    0.00   0.000070278  -0.000023151   0.000015125
 O     -0.531230     -0.878777     -0.600153    0.00   0.000143608   0.000381178  -0.000193792
 O     -1.372673      0.038132     -1.276759    0.00   0.000011767   0.000683119   0.000376976
 C     -2.655703      0.071761     -0.765938    0.00  -0.000027244  -0.000084133   0.000390755
 H     -3.234611      0.681295     -1.470117    0.00   0.000009201   0.000022713   0.000099649
 O     -3.002451     -0.459105      0.258668    0.00   0.000122657  -0.001281430  -0.000491363
26
 Energy =      -0.205998619573
 C      2.408385     -1.200106     -0.385790    0.00  -0.000125670  -0.000167856   0.000100730
 C      2.940880      0.238304     -0.352237    0.00  -0.000022817  -0.000200785  -0.000134560
 C      1.808821      1.246902     -0.582872    0.00   0.000040112  -0.000123262  -0.000125335
 C      0.728950      1.112426      0.502861    0.00   0.000142279   0.000077767  -0.000000098
 C      0.193949     -0.332288      0.533025    0.00  -0.000013227   0.000133982   0.000028269
 C      1.286445     -1.421670      0.631598    0.00  -0.000118373   0.000049947   0.000160746
 H      2.208949      2.277550     -0.586568    0.00   0.000009614  -0.000015270  -0.000023831
 H      3.436733      0.437603      0.617256    0.00   0.000008009  -0.000010899  -0.000019752
 H      3.722357      0.366862     -1.124891    0.00  -0.000010290  -0.000030348  -0.000018435
 H      2.030013     -1.431775     -1.402942    0.00  -0.000014335  -0.000023925   0.000013650
 H      3.230949     -1.914646     -0.192771    0.00  -0.000014377  -0.000015573   0.000015106
 H      1.201388      1.274759      1.510299    0.00   0.000020660   0.000004432  -0.000005579
 H      1.671594     -1.409208      1.671509    0.00  -0.000006571   0.000014393   0.000010777
 H      0.832252     -2.423574      0.493018    0.00  -0.000015188   0.000007105   0.000025699
 H      1.356780      1.088614     -1.582433    0.00  -0.000006778  -0.000016452  -0.000003201
 O     -0.664654     -0.429616      1.660088    0.00  -0.000371769   0.000432122  -0.000234457
 C     -0.378202      2.150923      0.336919    0.00   0.000231170   0.000184733   0.000056254
 H     -1.209636      1.938420      1.024844    0.00   0.000015974   0.000015214  -0.000000275
 H     -0.011373      3.156790      0.570930    0.00   0.000024286   0.000009854   0.000012845
 H     -0.771810      2.173945     -0.684868    0.00   0.000022278   0.000024856   0.000005489
 H     -1.496033     -0.936463      1.447494    0.00   0.000056715  -0.000017554   0.000011393
 O     -0.529541     -0.874413     -0.602338    0.00   0.000145332   0.000398764  -0.000194875
 O     -1.372522      0.045668     -1.272929    0.00  -0.000038974   0.000625569   0.000348680
 C     -2.655878      0.070869     -0.762162    0.00  -0.000057638  -0.000147035   0.000334102
 H     -3.235662      0.688002     -1.458845    0.00  -0.000000447   0.000011256   0.000083255
 O     -3.001812     -0.474225      0.255160    0.00   0.000100026  -0.001221035  -0.000446595
26
 Energy =      -0.206076796266
 C      2.406410     -1.202738     -0.384277    0.00  -0.000123658  -0.000160619   0.000091145
 C      2.940606      0.235157     -0.354256    0.00  -0.000011538  -0.000198446  -0.000119944
 C      1.809626      1.245032     -0.584696    0.00   0.000059487  -0.000110885  -0.000104165
 C      0.731269      1.113706      0.502987    0.00   0.000151270   0.000082589   0.000009726
 C      0.193733     -0.330090      0.533316    0.00  -0.000012989   0.000142839   0.000023043
 C      1.284528     -1.420888      0.633995    0.00  -0.000123371   0.000050622   0.000139896
 H      2.211162      2.275096     -0.590762    0.00   0.000011858  -0.000014443  -0.000020480
 H      3.438438      0.435565      0.613990    0.00   0.000008550  -0.000012187  -0.000017946
 H      3.720888      0.361278     -1.128532    0.00  -0.000008919  -0.000029602  -0.000016582
 H      2.027314     -1.436212     -1.400756    0.00  -0.000013747  -0.000021948   0.000012207
 H      3.228274     -1.917738     -0.190024    0.00  -0.000014803  -0.000015619   0.000013947
 H      1.205385      1.275616      1.509580    0.00   0.000020870   0.000003751  -0.000004338
 H      1.670226     -1.406635      1.673655    0.00  -0.000007518   0.000012592   0.000009491
 H      0.829152     -2.422477      0.497576    0.00  -0.000016351   0.000007639   0.000022313
 H      1.355633      1.085676     -1.583236    0.00  -0.000004534  -0.000013796  -0.000002082
 O     -0.668485     -0.424268      1.657608    0.00  -0.000338617   0.000417731  -0.000220420
 C     -0.374385      2.153972      0.337922    0.00   0.000250274   0.000197551   0.000068375
 H     -1.206208      1.941786      1.025479    0.00   0.000019950   0.000020424   0.000005907
 H     -0.006250      3.159103      0.572868    0.00   0.000028674   0.000012314   0.000007375
 H     -0.768041      2.178281     -0.683856    0.00   0.000018809   0.000021534   0.000007212
 H     -1.492532     -0.943875      1.447541    0.00   0.000047815  -0.000013181   0.000009368
 O     -0.527791     -0.869707     -0.604607    0.00   0.000140067   0.000404186  -0.000190201
 O     -1.372887      0.052941     -1.269218    0.00  -0.000077880   0.000573975   0.000325973
 C     -2.656605      0.069024     -0.758754    0.00  -0.000079230  -0.000190130   0.000290523
 H     -3.237788      0.692450     -1.448537    0.00  -0.000006814   0.000003055   0.000071349
 O     -3.001318     -0.489348      0.251709    0.00   0.000082343  -0.001169945  -0.000411691
26
 Energy =      -0.206151832596
 C      2.404382     -1.205355     -0.382868    0.00  -0.000122023  -0.000152989   0.000080910
 C      2.940494      0.231924     -0.356115    0.00  -0.000001943  -0.000195000  -0.000105030
 C      1.810764      1.243286     -0.586266    0.00   0.000076408  -0.000099204  -0.000085232
 C      0.733809      1.115101      0.503245    0.00   0.000156639   0.000085297   0.000016044
 C      0.193511     -0.327680      0.533558    0.00  -0.000012541   0.000148216   0.000018291
 C      1.282460     -1.420078      0.636161    0.00  -0.000126817   0.000049782   0.000120672
 H      2.213872      2.272696     -0.594485    0.00   0.000013789  -0.000013564  -0.000017295
 H      3.440282      0.433200      0.610940    0.00   0.000008786  -0.000013292  -0.000015949
 H      3.719639      0.355615     -1.131942    0.00  -0.000007470  -0.000028677  -0.000014651
 H      2.024608     -1.440421     -1.398735    0.00  -0.000013356  -0.000019859   0.000010699
 H      3.225422     -1.920969     -0.187424    0.00  -0.000015169  -0.000015627   0.000012518
 H      1.209559      1.276391      1.509047    0.00   0.000020629   0.000003196  -0.000003333
 H      1.668628     -1.404303      1.675602    0.00  -0.000008210   0.000010858   0.000008272
 H      0.825734     -2.421247      0.501687    0.00  -0.000017178   0.000007914   0.000019182
 H      1.354882      1.083126     -1.583849    0.00  -0.000002354  -0.000011325  -0.000001262
 O     -0.672167     -0.418877      1.655156    0.00  -0.000310652   0.000408098  -0.000208248
 C     -0.370161      2.157316      0.339105    0.00   0.000261891   0.000204794   0.000073601
 H     -1.201940      1.946184      1.027044    0.00   0.000023084   0.000024038   0.000009442
 H     -0.000270      3.161791      0.573929    0.00   0.000031219   0.000013305   0.000003115
 H     -0.764636      2.182218     -0.682385    0.00   0.000016565   0.000019027   0.000008631
 H     -1.489281     -0.950233      1.447593    0.00   0.000041674  -0.000009628   0.000008314
 O     -0.526056     -0.864790     -0.606893    0.00   0.000131272   0.000402615  -0.000182936
 O     -1.373686      0.059927     -1.265604    0.00  -0.000107782   0.000529287   0.000308140
 C     -2.657769      0.066443     -0.755638    0.00  -0.000094661  -0.000219399   0.000257792
 H     -3.240735      0.695165     -1.438996    0.00  -0.000010985  -0.000002915   0.000062764
 O     -3.000941     -0.504431      0.248304    0.00   0.000069185  -0.001124948  -0.000384456
26
 Energy =       -0.20622418767
 C      2.402305     -1.207938     -0.381583    0.00  -0.000120470  -0.000145438   0.000070926
 C      2.940533      0.228633     -0.357789    0.00   0.000006155  -0.000190942  -0.000090358
 C      1.812212      1.241668     -0.587589    0.00   0.000090909  -0.000088589  -0.000068392
 C      0.736516      1.116583      0.503591    0.00   0.000159127   0.000086544   0.000019849
 C      0.193285     -0.325111      0.533747    0.00  -0.000011981   0.000151005   0.000013980
 C      1.280268     -1.419260      0.638094    0.00  -0.000128925   0.000048150   0.000103466
 H      2.217032      2.270367     -0.597718    0.00   0.000015413  -0.000012715  -0.000014344
 H      3.442207      0.430529      0.608157    0.00   0.000008802  -0.000014224  -0.000013910
 H      3.718627      0.349925     -1.135061    0.00  -0.000006037  -0.000027670  -0.000012729
 H      2.021881     -1.444350     -1.396901    0.00  -0.000013066  -0.000017797   0.000009250
 H      3.222407     -1.924319     -0.185032    0.00  -0.000015466  -0.000015596   0.000011011
 H      1.213816      1.277097      1.508672    0.00   0.000020058   0.000002785  -0.000002505
 H      1.666842     -1.402224      1.677342    0.00  -0.000008707   0.000009275   0.000007146
 H      0.822056     -2.419921      0.505349    0.00  -0.000017730   0.000008037   0.000016389
 H      1.354542      1.080969     -1.584297    0.00  -0.000000303  -0.000009098  -0.000000643
 O     -0.675700     -0.413426      1.652738    0.00  -0.000286234   0.000399749  -0.000197297
 C     -0.365630      2.160873      0.340370    0.00   0.000267982   0.000208035   0.000073343
 H     -1.197054      1.951349      1.029233    0.00   0.000025336   0.000026460   0.000011154
 H      0.006341      3.164754      0.574277    0.00   0.000032520   0.000013484  -0.000000233
 H     -0.761475      2.185835     -0.680635    0.00   0.000015159   0.000017103   0.000009545
 H     -1.486199     -0.955729      1.447707    0.00   0.000037173  -0.000006693   0.000007770
 O     -0.524377     -0.859739     -0.609163    0.00   0.000120913   0.000397252  -0.000174827
 O     -1.374853      0.066645     -1.262059    0.00  -0.000131027   0.000491127   0.000294235
 C     -2.659278      0.063297     -0.752741    0.00  -0.000105708  -0.000239045   0.000233363
 H     -3.244317      0.696556     -1.430041    0.00  -0.000013728  -0.000007322   0.000056506
 O     -3.000650     -0.519462      0.244935    0.00   0.000059837  -0.001083877  -0.000362696
26
 Energy =      -0.206294132705
 C      2.400185     -1.210478     -0.380425    0.00  -0.000118756  -0.000138168   0.000061677
 C      2.940708      0.225300     -0.359264    0.00   0.000012992  -0.000186523  -0.000076232
 C      1.813943      1.240175     -0.588677    0.00   0.000103160  -0.000079142  -0.000053467
 C      0.739346      1.118129      0.503996    0.00   0.000159414   0.000086770   0.000021868
 C      0.193059     -0.322422      0.533881    0.00  -0.000011405   0.000151883   0.000010048
 C      1.277973     -1.418448      0.639804    0.00  -0.000129940   0.000046122   0.000088223
 H      2.220598      2.268111     -0.600466    0.00   0.000016746  -0.000011934  -0.000011657
 H      3.444173      0.427575      0.605668    0.00   0.000008661  -0.000014986  -0.000011915
 H      3.717857      0.344242     -1.137858    0.00  -0.000004674  -0.000026631  -0.000010867
 H      2.019124     -1.447978     -1.395259    0.00  -0.000012800  -0.000015839   0.000007923
 H      3.219242     -1.927773     -0.182875    0.00  -0.000015687  -0.000015511   0.000009546
 H      1.218081      1.277754      1.508431    0.00   0.000019261   0.000002496  -0.000001813
 H      1.664902     -1.400391      1.678882    0.00  -0.000009064   0.000007867   0.000006122
 H      0.818163     -2.418523      0.508585    0.00  -0.000018062   0.000008067   0.000013930
 H      1.354613      1.079190     -1.584602    0.00   0.000001588  -0.000007135  -0.000000157
 O     -0.679086     -0.407921      1.650358    0.00  -0.000264410   0.000391088  -0.000187238
 C     -0.360869      2.164581      0.341634    0.00   0.000270072   0.000208410   0.000069093
 H     -1.191725      1.957085      1.031796    0.00   0.000026793   0.000027999   0.000011665
 H      0.013410      3.167914      0.574033    0.00   0.000033002   0.000013248  -0.000002895
 H     -0.758456      2.189198     -0.678750    0.00   0.000014300   0.000015589   0.000009927
 H     -1.483237     -0.960505      1.447910    0.00   0.000033680  -0.000004249   0.000007476
 O     -0.522780     -0.854603     -0.611403    0.00   0.000110077   0.000389917  -0.000166790
 O     -1.376334      0.073127     -1.258552    0.00  -0.000149369   0.000458500   0.000283310
 C     -2.661064      0.059715     -0.750003    0.00  -0.000113574  -0.000251897   0.000215065
 H     -3.248397      0.696926     -1.421521    0.00  -0.000015542  -0.000010618   0.000051854
 O     -3.000419     -0.534437      0.241599    0.00   0.000053537  -0.001045321  -0.000344695
26
 Energy =      -0.206361831396
 C      2.398029     -1.212969     -0.379391    0.00  -0.000116715  -0.000131239   0.000053381
 C      2.941009      0.221938     -0.360534    0.00   0.000018783  -0.000181850  -0.000062800
 C      1.815934      1.238797     -0.589544    0.00   0.000113371  -0.000070831  -0.000040284
 C      0.742265      1.119724      0.504433    0.00   0.000158077   0.000086260   0.000022637
 C      0.192834     -0.319642      0.533961    0.00  -0.000010844   0.000151326   0.000006406
 C      1.275590     -1.417647      0.641308    0.00  -0.000130090   0.000043919   0.000074732
 H      2.224529      2.265928     -0.602749    0.00   0.000017813  -0.000011237  -0.000009241
 H      3.446151      0.424359      0.603487    0.00   0.000008409  -0.000015589  -0.000010015
 H      3.717326      0.338586     -1.140317    0.00  -0.000003402  -0.000025585  -0.000009085
 H      2.016341     -1.451305     -1.393801    0.00  -0.000012509  -0.000014021   0.000006739
 H      3.215943     -1.931318     -0.180956    0.00  -0.000015827  -0.000015367   0.000008191
 H      1.222301      1.278379      1.508304    0.00   0.000018320   0.000002307  -0.000001232
 H      1.662832     -1.398789      1.680234    0.00  -0.000009322   0.000006618   0.000005196
 H      0.814090     -2.417071      0.511426    0.00  -0.000018223   0.000008039   0.000011761
 H      1.355085      1.077762     -1.584783    0.00   0.000003308  -0.000005431   0.000000236
 O     -0.682330     -0.402376      1.648016    0.00  -0.000244652   0.000381566  -0.000177924
 C     -0.355934      2.168394      0.342833    0.00   0.000269277   0.000206733   0.000062160
 H     -1.186087      1.963248      1.034543    0.00   0.000027590   0.000028886   0.000011405
 H      0.020806      3.171215      0.573287    0.00   0.000032946   0.000012810  -0.000005027
 H     -0.755501      2.192358     -0.676841    0.00   0.000013787   0.000014362   0.000009849
 H     -1.480365     -0.964670      1.448211    0.00   0.000030843  -0.000002211   0.000007291
 O     -0.521276     -0.849406     -0.613608    0.00   0.000099306   0.000381568  -0.000159224
 O     -1.378090      0.079412     -1.255061    0.00  -0.000164060   0.000430329   0.000274539
 C     -2.663075      0.055794     -0.747375    0.00  -0.000119060  -0.000259896   0.000201199
 H     -3.252880      0.696501     -1.413317    0.00  -0.000016729  -0.000013110   0.000048313
 O     -3.000222     -0.549358      0.238291    0.00   0.000049605  -0.001008356  -0.000329202
26
 Energy =      -0.206427385606
 C      2.395845     -1.215414     -0.378471    0.00  -0.000114273  -0.000124640   0.000046092
 C      2.941424      0.218553     -0.361598    0.00   0.000023709  -0.000176976  -0.000050134
 C      1.818163      1.237524     -0.590206    0.00   0.000121770  -0.000063557  -0.000028667
 C      0.745247      1.121356      0.504887    0.00   0.000155542   0.000085204   0.000022520
 C      0.192609     -0.316792      0.533984    0.00  -0.000010334   0.000149699   0.000003003
 C      1.273133     -1.416863      0.642618    0.00  -0.000129569   0.000041649   0.000062741
 H      2.228790      2.263813     -0.604592    0.00   0.000018639  -0.000010620  -0.000007085
 H      3.448120      0.420906      0.601619    0.00   0.000008077  -0.000016041  -0.000008230
 H      3.717029      0.332968     -1.142433    0.00  -0.000002231  -0.000024550  -0.000007396
 H      2.013540     -1.454339     -1.392517    0.00  -0.000012163  -0.000012353   0.000005700
 H      3.212526     -1.934944     -0.179263    0.00  -0.000015887  -0.000015160   0.000006977
 H      1.226438      1.278985      1.508275    0.00   0.000017295   0.000002187  -0.000000745
 H      1.660647     -1.397401      1.681412    0.00  -0.000009515   0.000005508   0.000004363
 H      0.809866     -2.415577      0.513900    0.00  -0.000018251   0.000007971   0.000009835
 H      1.355942      1.076655     -1.584857    0.00   0.000004858  -0.000003966   0.000000564
 O     -0.685437     -0.396806      1.645711    0.00  -0.000226621   0.000371106  -0.000169290
 C     -0.350870      2.172283      0.343921    0.00   0.000266402   0.000203579   0.000053591
 H     -1.180239      1.969733      1.037332    0.00   0.000027875   0.000029292   0.000010668
 H      0.028434      3.174615      0.572107    0.00   0.000032536   0.000012280  -0.000006742
 H     -0.752555      2.195356     -0.674990    0.00   0.000013487   0.000013342   0.000009423
 H     -1.477563     -0.968307      1.448609    0.00   0.000028461  -0.000000500   0.000007148
 O     -0.519870     -0.844163     -0.615780    0.00   0.000088890   0.000372696  -0.000152300
 O     -1.380092      0.085531     -1.251567    0.00  -0.000175955   0.000405600   0.000267257
 C     -2.665271      0.051604     -0.744819    0.00  -0.000122735  -0.000264347   0.000190535
 H     -3.257696      0.695441     -1.405339    0.00  -0.000017486  -0.000015014   0.000045548
 O     -3.000039     -0.564226      0.235013    0.00   0.000047478  -0.000972388  -0.000315377
26
 Energy =      -0.206490860806
 C      2.393640     -1.217811     -0.377654    0.00  -0.000111410  -0.000118349   0.000039785
 C      2.941946      0.215152     -0.362457    0.00   0.000027905  -0.000171927  -0.000038260
 C      1.820610      1.236345     -0.590675    0.00   0.000128559  -0.000057196  -0.000018460
 C      0.748270      1.123016      0.505344    0.00   0.000152134   0.000083724   0.000021785
 C      0.192384     -0.313890      0.533952    0.00  -0.000009877   0.000147271  -0.000000209
 C      1.270612     -1.416098      0.643748    0.00  -0.000128523   0.000039373   0.000052021
 H      2.233348      2.261758     -0.606024    0.00   0.000019254  -0.000010076  -0.000005172
 H      3.450064      0.417238      0.600064    0.00   0.000007690  -0.000016355  -0.000006571
 H      3.716960      0.327397     -1.144205    0.00  -0.000001160  -0.000023528  -0.000005802
 H      2.010735     -1.457097     -1.391395    0.00  -0.000011754  -0.000010835   0.000004796
 H      3.209007     -1.938640     -0.177776    0.00  -0.000015867  -0.000014891   0.000005914
 H      1.230464      1.279585      1.508331    0.00   0.000016231   0.000002113  -0.000000339
 H      1.658356     -1.396215      1.682428    0.00  -0.000009663   0.000004516   0.000003612
 H      0.805511     -2.414050      0.516031    0.00  -0.000018173   0.000007874   0.000008109
 H      1.357167      1.075837     -1.584837    0.00   0.000006241  -0.000002719   0.000000843
 O     -0.688416     -0.391228      1.643439    0.00  -0.000210097   0.000359847  -0.000161286
 C     -0.345708      2.176222      0.344867    0.00   0.000262012   0.000199354   0.000044180
 H     -1.174255      1.976464      1.040061    0.00   0.000027773   0.000029339   0.000009647
 H      0.036224      3.178085      0.570546    0.00   0.000031890   0.000011712  -0.000008121
 H     -0.749576      2.198222     -0.673257    0.00   0.000013313   0.000012474   0.000008751
 H     -1.474819     -0.971485      1.449098    0.00   0.000026409   0.000000935   0.000007009
 O     -0.518566     -0.838883     -0.617926    0.00   0.000078956   0.000363524  -0.000146033
 O     -1.382318      0.091513     -1.248055    0.00  -0.000185638   0.000383493   0.000260943
 C     -2.667625      0.047198     -0.742304    0.00  -0.000124992  -0.000266166   0.000182184
 H     -3.262797      0.693866     -1.397515    0.00  -0.000017927  -0.000016477   0.000043332
 O     -2.999853     -0.579042      0.231766    0.00   0.000046714  -0.000937031  -0.000302659
26
 Energy =      -0.206552300161
 C      2.391423     -1.220163     -0.376927    0.00  -0.000108154  -0.000112325   0.000034376
 C      2.942567      0.211740     -0.363111    0.00   0.000031476  -0.000166719  -0.000027185
 C      1.823258      1.235250     -0.590967    0.00   0.000133919  -0.000051634  -0.000009508
 C      0.751321      1.124698      0.505793    0.00   0.000148106   0.000081930   0.000020624
 C      0.192159     -0.310946      0.533863    0.00  -0.000009485   0.000144214  -0.000003252
 C      1.268032     -1.415354      0.644709    0.00  -0.000127067   0.000037122   0.000042384
 H      2.238175      2.259759     -0.607073    0.00   0.000019679  -0.000009595  -0.000003483
 H      3.451973      0.413376      0.598820    0.00   0.000007263  -0.000016541  -0.000005036
 H      3.717112      0.321880     -1.145634    0.00  -0.000000187  -0.000022526  -0.000004305
 H      2.007939     -1.459594     -1.390422    0.00  -0.000011281  -0.000009459   0.000004014
 H      3.205400     -1.942397     -0.176475    0.00  -0.000015774  -0.000014565   0.000004998
 H      1.234364      1.280184      1.508460    0.00   0.000015155   0.000002067  -0.000000004
 H      1.655963     -1.395219      1.683295    0.00  -0.000009781   0.000003624   0.000002935
 H      0.801042     -2.412496      0.517837    0.00  -0.000018010   0.000007758   0.000006551
 H      1.358744      1.075277     -1.584735    0.00   0.000007468  -0.000001665   0.000001082
 O     -0.691273     -0.385653      1.641198    0.00  -0.000194914   0.000347962  -0.000153877
 C     -0.340473      2.180196      0.345648    0.00   0.000256509   0.000194345   0.000034479
 H     -1.168189      1.983381      1.042660    0.00   0.000027385   0.000029117   0.000008473
 H      0.044123      3.181600      0.568647    0.00   0.000031086   0.000011132  -0.000009221
 H     -0.746537      2.200981     -0.671680    0.00   0.000013207   0.000011720   0.000007924
 H     -1.472124     -0.974260      1.449671    0.00   0.000024615   0.000002145   0.000006864
 O     -0.517362     -0.833570     -0.620052    0.00   0.000069568   0.000354159  -0.000140378
 O     -1.384750      0.097379     -1.244517    0.00  -0.000193497   0.000363361   0.000255216
 C     -2.670114      0.042616     -0.739809    0.00  -0.000126120  -0.000265994   0.000175513
 H     -3.268144      0.691866     -1.389792    0.00  -0.000018134  -0.000017605   0.000041506
 O     -2.999649     -0.593805      0.228552    0.00   0.000046967  -0.000902030  -0.000290690
26
 Energy =      -0.206611732413
 C      2.389202     -1.222470     -0.376280    0.00  -0.000104550  -0.000106534   0.000029770
 C      2.943281      0.208322     -0.363565    0.00   0.000034500  -0.000161383  -0.000016902
 C      1.826091      1.234228     -0.591095    0.00   0.000138006  -0.000046747  -0.000001680
 C      0.754387      1.126397      0.506228    0.00   0.000143608   0.000079871   0.000019175
 C      0.191932     -0.307971      0.533716    0.00  -0.000009148   0.000140695  -0.000006135
 C      1.265399     -1.414630      0.645509    0.00  -0.000125270   0.000034912   0.000033687
 H      2.243245      2.257809     -0.607766    0.00   0.000019939  -0.000009164  -0.000001997
 H      3.453837      0.409341      0.597883    0.00   0.000006810  -0.000016614  -0.000003628
 H      3.717479      0.316419     -1.146726    0.00   0.000000692  -0.000021544  -0.000002904
 H      2.005170     -1.461848     -1.389586    0.00  -0.000010747  -0.000008215   0.000003339
 H      3.201719     -1.946205     -0.175334    0.00  -0.000015615  -0.000014188   0.000004219
 H      1.238126      1.280788      1.508653    0.00   0.000014087   0.000002039   0.000000267
 H      1.653471     -1.394402      1.684024    0.00  -0.000009875   0.000002817   0.000002323
 H      0.796470     -2.410921      0.519333    0.00  -0.000017778   0.000007627   0.000005131
 H      1.360655      1.074947     -1.584560    0.00   0.000008546  -0.000000780   0.000001290
 O     -0.694015     -0.380090      1.638982    0.00  -0.000180933   0.000335622  -0.000147007
 C     -0.335184      2.184190      0.346252    0.00   0.000250180   0.000188748   0.000024883
 H     -1.162083      1.990440      1.045078    0.00   0.000026792   0.000028694   0.000007228
 H      0.052095      3.185144      0.566446    0.00   0.000030172   0.000010556  -0.000010090
 H     -0.743420      2.203652     -0.670286    0.00   0.000013132   0.000011052   0.000007009
 H     -1.469473     -0.976677      1.450318    0.00   0.000023021   0.000003165   0.000006703
 O     -0.516257     -0.828228     -0.622164    0.00   0.000060740   0.000344640  -0.000135268
 O     -1.387376      0.103146     -1.240944    0.00  -0.000199808   0.000344713   0.000249808
 C     -2.672719      0.037890     -0.737314    0.00  -0.000126308  -0.000264272   0.000170038
 H     -3.273710      0.689509     -1.382129    0.00  -0.000018155  -0.000018473   0.000039964
 O     -2.999415     -0.608514      0.225375    0.00   0.000047963  -0.000867237  -0.000279222
26
 Energy =      -0.206669176425
 C      2.386984     -1.224735     -0.375701    0.00  -0.000100658  -0.000100954   0.000025863
 C      2.944084      0.204901     -0.363820    0.00   0.000037035  -0.000155926  -0.000007405
 C      1.829095      1.233272     -0.591068    0.00   0.000140951  -0.000042443   0.000005150
 C      0.757460      1.128106      0.506643    0.00   0.000138783   0.000077608   0.000017543
 C      0.191703     -0.304972      0.533510    0.00  -0.000008868   0.000136800  -0.000008862
 C      1.262717     -1.413930      0.646157    0.00  -0.000123193   0.000032757   0.000025817
 H      2.248537      2.255903     -0.608130    0.00   0.000020052  -0.000008778  -0.000000694
 H      3.455650      0.405150      0.597249    0.00   0.000006340  -0.000016586  -0.000002341
 H      3.718055      0.311018     -1.147486    0.00   0.000001478  -0.000020584  -0.000001600
 H      2.002441     -1.463873     -1.388876    0.00  -0.000010165  -0.000007093   0.000002760
 H      3.197975     -1.950056     -0.174332    0.00  -0.000015397  -0.000013766   0.000003560
 H      1.241744      1.281399      1.508902    0.00   0.000013040   0.000002017   0.000000483
 H      1.650879     -1.393757      1.684623    0.00  -0.000009950   0.000002087   0.000001767
 H      0.791806     -2.409328      0.520532    0.00  -0.000017486   0.000007485   0.000003837
 H      1.362885      1.074823     -1.584319    0.00   0.000009483  -0.000000043   0.000001472
 O     -0.696650     -0.374549      1.636787    0.00  -0.000168036   0.000322966  -0.000140621
 C     -0.329855      2.188196      0.346671    0.00   0.000243219   0.000182725   0.000015638
 H     -1.155965      1.997608      1.047281    0.00   0.000026050   0.000028113   0.000005971
 H      0.060111      3.188701      0.563972    0.00   0.000029185   0.000009985  -0.000010763
 H     -0.740210      2.206249     -0.669094    0.00   0.000013063   0.000010449   0.000006056
 H     -1.466860     -0.978778      1.451029    0.00   0.000021594   0.000004028   0.000006526
 O     -0.515250     -0.822859     -0.624269    0.00   0.000052478   0.000334982  -0.000130617
 O     -1.390185      0.108825     -1.237333    0.00  -0.000204760   0.000327186   0.000244525
 C     -2.675427      0.033043     -0.734806    0.00  -0.000125694  -0.000261324   0.000165409
 H     -3.279470      0.686845     -1.374493    0.00  -0.000018029  -0.000019135   0.000038627
 O     -2.999141     -0.623166      0.222238    0.00   0.000049485  -0.000832557  -0.000268102
26
 Energy =      -0.206724643805
 C      2.384776     -1.226957     -0.375182    0.00  -0.000096540  -0.000095561   0.000022555
 C      2.944970      0.201481     -0.363880    0.00   0.000039119  -0.000150372   0.000001319
 C      1.832259      1.232375     -0.590899    0.00   0.000142869  -0.000038636   0.000011092
 C      0.760533      1.129823      0.507034    0.00   0.000133714   0.000075182   0.000015803
 C      0.191471     -0.301956      0.533243    0.00  -0.000008632   0.000132608  -0.000011423
 C      1.259988     -1.413251      0.646659    0.00  -0.000120868   0.000030666   0.000018688
 H      2.254031      2.254035     -0.608186    0.00   0.000020034  -0.000008428   0.000000446
 H      3.457405      0.400820      0.596912    0.00   0.000005859  -0.000016468  -0.000001173
 H      3.718834      0.305678     -1.147918    0.00   0.000002177  -0.000019644  -0.000000391
 H      1.999767     -1.465685     -1.388282    0.00  -0.000009547  -0.000006079   0.000002263
 H      3.194181     -1.953942     -0.173449    0.00  -0.000015127  -0.000013305   0.000003006
 H      1.245213      1.282018      1.509200    0.00   0.000012023   0.000001996   0.000000650
 H      1.648187     -1.393277      1.685099    0.00  -0.000010007   0.000001426   0.000001261
 H      0.787058     -2.407721      0.521443    0.00  -0.000017143   0.000007335   0.000002654
 H      1.365420      1.074880     -1.584021    0.00   0.000010290   0.000000568   0.000001633
 O     -0.699186     -0.369033      1.634608    0.00  -0.000156115   0.000310095  -0.000134658
 C     -0.324497      2.192205      0.346903    0.00   0.000235773   0.000176375   0.000006909
 H     -1.149859      2.004857      1.049247    0.00   0.000025202   0.000027410   0.000004738
 H      0.068149      3.192262      0.561251    0.00   0.000028147   0.000009423  -0.000011267
 H     -0.736902      2.208784     -0.668113    0.00   0.000012984   0.000009896   0.000005101
 H     -1.464283     -0.980593      1.451798    0.00   0.000020305   0.000004758   0.000006334
 O     -0.514338     -0.817464     -0.626373    0.00   0.000044769   0.000325187  -0.000126341
 O     -1.393168      0.114427     -1.233681    0.00  -0.000208479   0.000310513   0.000239231
 C     -2.678224      0.028095     -0.732273    0.00  -0.000124396  -0.000257388   0.000161380
 H     -3.285406      0.683915     -1.366857    0.00  -0.000017778  -0.000019631   0.000037438
 O     -2.998817     -0.637757      0.219144    0.00   0.000051367  -0.000797926  -0.000257247
26
 Energy =       -0.20677814062
 C      2.382583     -1.229138     -0.374714    0.00  -0.000092254  -0.000090338   0.000019751
 C      2.945934      0.198064     -0.363748    0.00   0.000040788  -0.000144736   0.000009278
 C      1.835571      1.231529     -0.590595    0.00   0.000143856  -0.000035254   0.000016240
 C      0.763599      1.131545      0.507397    0.00   0.000128467   0.000072623   0.000014013
 C      0.191234     -0.298928      0.532915    0.00  -0.000008434   0.000128179  -0.000013810
 C      1.257216     -1.412596      0.647021    0.00  -0.000118321   0.000028644   0.000012237
 H      2.259708      2.252203     -0.607955    0.00   0.000019902  -0.000008106   0.000001441
 H      3.459099      0.396365      0.596867    0.00   0.000005374  -0.000016272  -0.000000122
 H      3.719810      0.300401     -1.148029    0.00   0.000002789  -0.000018725   0.000000724
 H      1.997161     -1.467298     -1.387794    0.00  -0.000008902  -0.000005164   0.000001838
 H      3.190345     -1.957856     -0.172665    0.00  -0.000014812  -0.000012812   0.000002542
 H      1.248531      1.282647      1.509542    0.00   0.000011038   0.000001976   0.000000775
 H      1.645393     -1.392957      1.685461    0.00  -0.000010044   0.000000829   0.000000799
 H      0.782234     -2.406101      0.522075    0.00  -0.000016755   0.000007180   0.000001574
 H      1.368244      1.075101     -1.583670    0.00   0.000010973   0.000001070   0.000001777
 O     -0.701628     -0.363550      1.632440    0.00  -0.000145072   0.000297093  -0.000129053
 C     -0.319119      2.196211      0.346946    0.00   0.000227938   0.000169773  -0.000001207
 H     -1.143782      2.012164      1.050961    0.00   0.000024280   0.000026613   0.000003551
 H      0.076193      3.195818      0.558307    0.00   0.000027073   0.000008870  -0.000011626
 H     -0.733490      2.211267     -0.667350    0.00   0.000012885   0.000009381   0.000004167
 H     -1.461737     -0.982154      1.452615    0.00   0.000019131   0.000005373   0.000006128
 O     -0.513519     -0.812045     -0.628482    0.00   0.000037596   0.000315243  -0.000122355
 O     -1.396317      0.119958     -1.229987    0.00  -0.000211053   0.000294503   0.000233833
 C     -2.681100      0.023062     -0.729707    0.00  -0.000122497  -0.000252641   0.000157754
 H     -3.291501      0.680752     -1.359203    0.00  -0.000017421  -0.000019990   0.000036356
 O     -2.998436     -0.652284      0.216097    0.00   0.000053473  -0.000763313  -0.000246604
26
 Energy =      -0.206829668494
 C      2.380410     -1.231279     -0.374289    0.00  -0.000087853  -0.000085270   0.000017370
 C      2.946974      0.194653     -0.363429    0.00   0.000042067  -0.000139039   0.000016489
 C      1.839021      1.230731     -0.590164    0.00   0.000143995  -0.000032230   0.000020675
 C      0.766655      1.133268      0.507731    0.00   0.000123087   0.000069955   0.000012216
 C      0.190992     -0.295892      0.532525    0.00  -0.000008261   0.000123560  -0.000016009
 C      1.254402     -1.411963      0.647247    0.00  -0.000115564   0.000026696   0.000006411
 H      2.265554      2.250402     -0.607455    0.00   0.000019667  -0.000007808   0.000002305
 H      3.460728      0.391798      0.597107    0.00   0.000004888  -0.000016007   0.000000817
 H      3.720976      0.295187     -1.147825    0.00   0.000003319  -0.000017828   0.000001747
 H      1.994632     -1.468723     -1.387406    0.00  -0.000008242  -0.000004338   0.000001477
 H      3.186476     -1.961792     -0.171965    0.00  -0.000014458  -0.000012291   0.000002150
 H      1.251699      1.283286      1.509923    0.00   0.000010089   0.000001952   0.000000863
 H      1.642497     -1.392791      1.685714    0.00  -0.000010060   0.000000290   0.000000377
 H      0.777338     -2.404471      0.522434    0.00  -0.000016325   0.000007022   0.000000591
 H      1.371346      1.075467     -1.583271    0.00   0.000011540   0.000001478   0.000001905
 O     -0.703983     -0.358101      1.630279    0.00  -0.000134820   0.000284013  -0.000123746
 C     -0.313728      2.200209      0.346801    0.00   0.000219791   0.000162978  -0.000008661
 H     -1.137747      2.019513      1.052415    0.00   0.000023307   0.000025739   0.000002425
 H      0.084230      3.199361      0.555157    0.00   0.000025972   0.000008328  -0.000011860
 H     -0.729972      2.213704     -0.666806    0.00   0.000012761   0.000008896   0.000003273
 H     -1.459222     -0.983483      1.453474    0.00   0.000018055   0.000005888   0.000005910
 O     -0.512789     -0.806603     -0.630601    0.00   0.000030945   0.000305146  -0.000118584
 O     -1.399626      0.125424     -1.226250    0.00  -0.000212554   0.000279017   0.000228270
 C     -2.684047      0.017955     -0.727099    0.00  -0.000120070  -0.000247222   0.000154397
 H     -3.297743      0.677381     -1.351512    0.00  -0.000016969  -0.000020234   0.000035349
 O     -2.997991     -0.666742      0.213101    0.00   0.000055694  -0.000728691  -0.000236155
26
 Energy =      -0.206879225352
 C      2.378259     -1.233380     -0.373901    0.00  -0.000083383  -0.000080347   0.000015338
 C      2.948086      0.191250     -0.362925    0.00   0.000042977  -0.000133290   0.000022965
 C      1.842602      1.229973     -0.589615    0.00   0.000143356  -0.000029517   0.000024472
 C      0.769696      1.134990      0.508032    0.00   0.000117615   0.000067210   0.000010447
 C      0.190744     -0.292851      0.532072    0.00  -0.000008111   0.000118775  -0.000018013
 C      1.251547     -1.411354      0.647343    0.00  -0.000112610   0.000024823   0.000001170
 H      2.271555      2.248629     -0.606701    0.00   0.000019338  -0.000007530   0.000003051
 H      3.462289      0.387130      0.597626    0.00   0.000004405  -0.000015681   0.000001647
 H      3.722329      0.290036     -1.147313    0.00   0.000003768  -0.000016950   0.000002678
 H      1.992189     -1.469972     -1.387110    0.00  -0.000007576  -0.000003592   0.000001172
 H      3.182580     -1.965743     -0.171335    0.00  -0.000014073  -0.000011748   0.000001820
 H      1.254715      1.283934      1.510339    0.00   0.000009179   0.000001925   0.000000917
 H      1.639497     -1.392775      1.685863    0.00  -0.000010051  -0.000000192  -0.000000011
 H      0.772377     -2.402832      0.522527    0.00  -0.000015856   0.000006861  -0.000000299
 H      1.374714      1.075964     -1.582828    0.00   0.000011999   0.000001804   0.000002021
 O     -0.706256     -0.352689      1.628123    0.00  -0.000125274   0.000270891  -0.000118677
 C     -0.308332      2.204194      0.346472    0.00   0.000211384   0.000156030  -0.000015426
 H     -1.131765      2.026887      1.053601    0.00   0.000022299   0.000024806   0.000001368
 H      0.092250      3.202886      0.551820    0.00   0.000024853   0.000007794  -0.000011984
 H     -0.726347      2.216103     -0.666484    0.00   0.000012605   0.000008433   0.000002428
 H     -1.456734     -0.984605      1.454367    0.00   0.000017062   0.000006320   0.000005684
 O     -0.512148     -0.801138     -0.632733    0.00   0.000024795   0.000294894  -0.000114966
 O     -1.403088      0.130828     -1.222470    0.00  -0.000213031   0.000263941   0.000222500
 C     -2.687056      0.012786     -0.724444    0.00  -0.000117169  -0.000241217   0.000151189
 H     -3.304118      0.673824     -1.343773    0.00  -0.000016436  -0.000020381   0.000034392
 O     -2.997477     -0.681128      0.210157    0.00   0.000057933  -0.000694062  -0.000225884
26
 Energy =      -0.206926805986
 C      2.376136     -1.235443     -0.373545    0.00  -0.000078880  -0.000075559   0.000013597
 C      2.949265      0.187857     -0.362241    0.00   0.000043538  -0.000127504   0.000028717
 C      1.846303      1.229253     -0.588952    0.00   0.000141999  -0.000027067   0.000027690
 C      0.772720      1.136710      0.508301    0.00   0.000112073   0.000064391   0.000008727
 C      0.190488     -0.289808      0.531557    0.00  -0.000007966   0.000113861  -0.000019808
 C      1.248653     -1.410767      0.647311    0.00  -0.000109462   0.000023028  -0.000003520
 H      2.277698      2.246882     -0.605708    0.00   0.000018927  -0.000007268   0.000003691
 H      3.463779      0.382372      0.598418    0.00   0.000003929  -0.000015301   0.000002371
 H      3.723860      0.284948     -1.146499    0.00   0.000004139  -0.000016091   0.000003518
 H      1.989839     -1.471054     -1.386899    0.00  -0.000006912  -0.000002919   0.000000918
 H      3.178664     -1.969706     -0.170763    0.00  -0.000013659  -0.000011186   0.000001540
 H      1.257581      1.284591      1.510785    0.00   0.000008305   0.000001894   0.000000943
 H      1.636392     -1.392903      1.685912    0.00  -0.000010017  -0.000000621  -0.000000367
 H      0.767354     -2.401186      0.522360    0.00  -0.000015351   0.000006700  -0.000001100
 H      1.378336      1.076578     -1.582343    0.00   0.000012355   0.000002061   0.000002127
 O     -0.708454     -0.347317      1.625966    0.00  -0.000116363   0.000257760  -0.000113796
 C     -0.302935      2.208163      0.345960    0.00   0.000202759   0.000148963  -0.000021495
 H     -1.125845      2.034276      1.054518    0.00   0.000021269   0.000023825   0.000000385
 H      0.100245      3.206388      0.548310    0.00   0.000023720   0.000007269  -0.000012011
 H     -0.722616      2.218466     -0.666383    0.00   0.000012416   0.000007985   0.000001640
 H     -1.454271     -0.985537      1.455290    0.00   0.000016141   0.000006675   0.000005450
 O     -0.511592     -0.795653     -0.634884    0.00   0.000019124   0.000284469  -0.000111434
 O     -1.406696      0.136173     -1.218647    0.00  -0.000212530   0.000249211   0.000216496
 C     -2.690119      0.007564     -0.721738    0.00  -0.000113839  -0.000234720   0.000148048
 H     -3.310616      0.670098     -1.335975    0.00  -0.000015825  -0.000020441   0.000033468
 O     -2.996889     -0.695439      0.207269    0.00   0.000060109  -0.000659417  -0.000215795
26
 Energy =       -0.20697240252
 C      2.374041     -1.237467     -0.373217    0.00  -0.000074377  -0.000070896   0.000012089
 C      2.950508      0.184474     -0.361380    0.00   0.000043769  -0.000121689   0.000033765
 C      1.850120      1.228567     -0.588181    0.00   0.000139980  -0.000024844   0.000030375
 C      0.775723      1.138425      0.508536    0.00   0.000106482   0.000061518   0.000007077
 C      0.190225     -0.286767      0.530978    0.00  -0.000007823   0.000108834  -0.000021389
 C      1.245721     -1.410203      0.647157    0.00  -0.000106123   0.000021309  -0.000007686
 H      2.283971      2.245157     -0.604487    0.00   0.000018440  -0.000007018   0.000004236
 H      3.465196      0.377532      0.599477    0.00   0.000003458  -0.000014875   0.000002990
 H      3.725566      0.279923     -1.145389    0.00   0.000004435  -0.000015252   0.000004271
 H      1.987589     -1.471978     -1.386769    0.00  -0.000006255  -0.000002311   0.000000708
 H      3.174732     -1.973677     -0.170240    0.00  -0.000013221  -0.000010608   0.000001300
 H      1.260296      1.285258      1.511260    0.00   0.000007470   0.000001859   0.000000943
 H      1.633182     -1.393171      1.685867    0.00  -0.000009955  -0.000000998  -0.000000694
 H      0.762273     -2.399534      0.521940    0.00  -0.000014813   0.000006538  -0.000001816
 H      1.382203      1.077298     -1.581821    0.00   0.000012615   0.000002258   0.000002224
 O     -0.710581     -0.341987      1.623807    0.00  -0.000108021   0.000244638  -0.000109048
 C     -0.297542      2.212112      0.345269    0.00   0.000193947   0.000141802  -0.000026873
 H     -1.119995      2.041668      1.055165    0.00   0.000020226   0.000022804  -0.000000519
 H      0.108206      3.209864      0.544640    0.00   0.000022576   0.000006753  -0.000011953
 H     -0.718780      2.220796     -0.666501    0.00   0.000012193   0.000007550   0.000000913
 H     -1.451833     -0.986298      1.456237    0.00   0.000015281   0.000006964   0.000005208
 O     -0.511118     -0.790147     -0.637056    0.00   0.000013916   0.000273870  -0.000107938
 O     -1.410446      0.141462     -1.214782    0.00  -0.000211087   0.000234765   0.000210242
 C     -2.693230      0.002296     -0.718976    0.00  -0.000110123  -0.000227786   0.000144902
 H     -3.317227      0.666219     -1.328107    0.00  -0.000015145  -0.000020426   0.000032563
 O     -2.996222     -0.709670      0.204438    0.00   0.000062156  -0.000624762  -0.000205890
26
 Energy =      -0.207016004731
 C      2.371977     -1.239454     -0.372912    0.00  -0.000069896  -0.000066353   0.000010775
 C      2.951812      0.181103     -0.360347    0.00   0.000043683  -0.000115851   0.000038121
 C      1.854044      1.227911     -0.587306    0.00   0.000137343  -0.000022815   0.000032575
 C      0.778702      1.140134      0.508737    0.00   0.000100863   0.000058606   0.000005510
 C      0.189954     -0.283729      0.530336    0.00  -0.000007674   0.000103710  -0.000022745
 C      1.242753     -1.409660      0.646882    0.00  -0.000102596   0.000019668  -0.000011353
 H      2.290366      2.243452     -0.603048    0.00   0.000017883  -0.000006781   0.000004692
 H      3.466539      0.372617      0.600796    0.00   0.000002998  -0.000014407   0.000003510
 H      3.727440      0.274960     -1.143989    0.00   0.000004657  -0.000014430   0.000004938
 H      1.985441     -1.472751     -1.386715    0.00  -0.000005613  -0.000001763   0.000000539
 H      3.170789     -1.977650     -0.169758    0.00  -0.000012764  -0.000010017   0.000001091
 H      1.262862      1.285934      1.511761    0.00   0.000006672   0.000001821   0.000000919
 H      1.629867     -1.393575      1.685729    0.00  -0.000009862  -0.000001326  -0.000000995
 H      0.757139     -2.397875      0.521271    0.00  -0.000014241   0.000006375  -0.000002447
 H      1.386306      1.078115     -1.581261    0.00   0.000012782   0.000002402   0.000002314
 O     -0.712641     -0.336700      1.621643    0.00  -0.000100188   0.000231540  -0.000104399
 C     -0.292158      2.216039      0.344402    0.00   0.000184975   0.000134567  -0.000031570
 H     -1.114219      2.049054      1.055541    0.00   0.000019177   0.000021751  -0.000001346
 H      0.116129      3.213309      0.540821    0.00   0.000021423   0.000006245  -0.000011819
 H     -0.714841      2.223097     -0.666837    0.00   0.000011935   0.000007123   0.000000251
 H     -1.449418     -0.986903      1.457203    0.00   0.000014476   0.000007195   0.000004964
 O     -0.510725     -0.784621     -0.639252    0.00   0.000009150   0.000263086  -0.000104432
 O     -1.414331      0.146696     -1.210875    0.00  -0.000208740   0.000220561   0.000203726
 C     -2.696383     -0.003011     -0.716155    0.00  -0.000106058  -0.000220465   0.000141699
 H     -3.323940      0.662199     -1.320164    0.00  -0.000014402  -0.000020342   0.000031664
 O     -2.995473     -0.723819      0.201667    0.00   0.000064014  -0.000590100  -0.000196181
26
 Energy =      -0.207057600359
 C      2.369945     -1.241405     -0.372628    0.00  -0.000065456  -0.000061922   0.000009622
 C      2.953175      0.177745     -0.359143    0.00   0.000043297  -0.000109998   0.000041801
 C      1.858069      1.227284     -0.586331    0.00   0.000134130  -0.000020954   0.000034322
 C      0.781657      1.141836      0.508902    0.00   0.000095227   0.000055656   0.000004035
 C      0.189673     -0.280696      0.529631    0.00  -0.000007512   0.000098506  -0.000023877
 C      1.239749     -1.409140      0.646491    0.00  -0.000098881   0.000018101  -0.000014543
 H      2.296873      2.241766     -0.601400    0.00   0.000017263  -0.000006552   0.000005067
 H      3.467805      0.367633      0.602371    0.00   0.000002548  -0.000013900   0.000003933
 H      3.729478      0.270059     -1.142305    0.00   0.000004810  -0.000013626   0.000005519
 H      1.983400     -1.473380     -1.386732    0.00  -0.000004988  -0.000001270   0.000000407
 H      3.166838     -1.981624     -0.169310    0.00  -0.000012289  -0.000009415   0.000000908
 H      1.265280      1.286620      1.512285    0.00   0.000005913   0.000001779   0.000000876
 H      1.626448     -1.394111      1.685502    0.00  -0.000009739  -0.000001607  -0.000001270
 H      0.751954     -2.396212      0.520358    0.00  -0.000013638   0.000006213  -0.000002997
 H      1.390635      1.079020     -1.580667    0.00   0.000012863   0.000002500   0.000002397
 O     -0.714639     -0.331458      1.619471    0.00  -0.000092811   0.000218475  -0.000099805
 C     -0.286785      2.219941      0.343363    0.00   0.000175863   0.000127278  -0.000035600
 H     -1.108524      2.056425      1.055647    0.00   0.000018128   0.000020673  -0.000002094
 H      0.124006      3.216722      0.536862    0.00   0.000020267   0.000005744  -0.000011617
 H     -0.710800      2.225369     -0.667389    0.00   0.000011642   0.000006702  -0.000000346
 H     -1.447023     -0.987365      1.458184    0.00   0.000013717   0.000007374   0.000004715
 O     -0.510411     -0.779077     -0.641474    0.00   0.000004811   0.000252114  -0.000100879
 O     -1.418346      0.151877     -1.206928    0.00  -0.000205515   0.000206568   0.000196942
 C     -2.699572     -0.008351     -0.713272    0.00  -0.000101677  -0.000212800   0.000138393
 H     -3.330748      0.658049     -1.312138    0.00  -0.000013598  -0.000020198   0.000030763
 O     -2.994638     -0.737880      0.198958    0.00   0.000065628  -0.000555443  -0.000186670
26
 Energy =      -0.207097175382
 C      2.367946     -1.243319     -0.372363    0.00  -0.000061071  -0.000057599   0.000008598
 C      2.954592      0.174400     -0.357774    0.00   0.000042627  -0.000104131   0.000044820
 C      1.862191      1.226681     -0.585260    0.00   0.000130374  -0.000019242   0.000035647
 C      0.784585      1.143531      0.509033    0.00   0.000089589   0.000052690   0.000002659
 C      0.189384     -0.277671      0.528863    0.00  -0.000007333   0.000093228  -0.000024778
 C      1.236710     -1.408642      0.645986    0.00  -0.000094979   0.000016609  -0.000017275
 H      2.303484      2.240097     -0.599550    0.00   0.000016584  -0.000006332   0.000005367
 H      3.468993      0.362587      0.604195    0.00   0.000002109  -0.000013360   0.000004261
 H      3.731673      0.265217     -1.140343    0.00   0.000004894  -0.000012836   0.000006016
 H      1.981469     -1.473871     -1.386818    0.00  -0.000004384  -0.000000829   0.000000309
 H      3.162881     -1.985595     -0.168891    0.00  -0.000011799  -0.000008803   0.000000746
 H      1.267550      1.287315      1.512830    0.00   0.000005190   0.000001734   0.000000813
 H      1.622923     -1.394776      1.685188    0.00  -0.000009583  -0.000001843  -0.000001522
 H      0.746723     -2.394544      0.519207    0.00  -0.000013005   0.000006051  -0.000003469
 H      1.395183      1.080007     -1.580039    0.00   0.000012860   0.000002559   0.000002476
 O     -0.716579     -0.326262      1.617289    0.00  -0.000085844   0.000205453  -0.000095235
 C     -0.281429      2.223815      0.342153    0.00   0.000166632   0.000119943  -0.000038977
 H     -1.102914      2.063776      1.055485    0.00   0.000017084   0.000019574  -0.000002764
 H      0.131835      3.220099      0.532772    0.00   0.000019104   0.000005251  -0.000011355
 H     -0.706659      2.227613     -0.668154    0.00   0.000011312   0.000006286  -0.000000874
 H     -1.444649     -0.987698      1.459178    0.00   0.000013000   0.000007505   0.000004464
 O     -0.510172     -0.773514     -0.643726    0.00   0.000000881   0.000240949  -0.000097242
 O     -1.422486      0.157006     -1.202940    0.00  -0.000201445   0.000192759   0.000189884
 C     -2.702791     -0.013719     -0.710325    0.00  -0.000097010  -0.000204820   0.000134950
 H     -3.337641      0.653780     -1.304024    0.00  -0.000012741  -0.000019997   0.000029851
 O     -2.993716     -0.751852      0.196311    0.00   0.000066953  -0.000520799  -0.000177370
26
 Energy =      -0.207134714243
 C      2.365981     -1.245197     -0.372114    0.00  -0.000056749  -0.000053377   0.000007681
 C      2.956061      0.171070     -0.356241    0.00   0.000041688  -0.000098254   0.000047195
 C      1.866405      1.226102     -0.584096    0.00   0.000126110  -0.000017656   0.000036572
 C      0.787483      1.145215      0.509129    0.00   0.000083957   0.000049698   0.000001389
 C      0.189085     -0.274654      0.528032    0.00  -0.000007126   0.000087893  -0.000025443
 C      1.233638     -1.408165      0.645369    0.00  -0.000090893   0.000015187  -0.000019564
 H      2.310191      2.238444     -0.597506    0.00   0.000015850  -0.000006117   0.000005594
 H      3.470102      0.357483      0.606263    0.00   0.000001684  -0.000012788   0.000004497
 H      3.734021      0.260436     -1.138107    0.00   0.000004913  -0.000012064   0.000006432
 H      1.979648     -1.474228     -1.386968    0.00  -0.000003802  -0.000000434   0.000000244
 H      3.158923     -1.989562     -0.168497    0.00  -0.000011297  -0.000008183   0.000000600
 H      1.269671      1.288020      1.513395    0.00   0.000004505   0.000001687   0.000000732
 H      1.619296     -1.395566      1.684790    0.00  -0.000009393  -0.000002035  -0.000001753
 H      0.741447     -2.392873      0.517822    0.00  -0.000012343   0.000005889  -0.000003863
 H      1.399944      1.081068     -1.579378    0.00   0.000012777   0.000002580   0.000002550
 O     -0.718464     -0.321112      1.615097    0.00  -0.000079247   0.000192480  -0.000090666
 C     -0.276090      2.227659      0.340776    0.00   0.000157295   0.000112583  -0.000041716
 H     -1.097393      2.071099      1.055055    0.00   0.000016049   0.000018457  -0.000003355
 H      0.139611      3.223438      0.528559    0.00   0.000017940   0.000004764  -0.000011035
 H     -0.702422      2.229829     -0.669132    0.00   0.000010949   0.000005872  -0.000001334
 H     -1.442292     -0.987912      1.460180    0.00   0.000012319   0.000007596   0.000004213
 O     -0.510008     -0.767933     -0.646007    0.00  -0.000002657   0.000229585  -0.000093496
 O     -1.426747      0.162083     -1.198913    0.00  -0.000196559   0.000179116   0.000182548
 C     -2.706036     -0.019109     -0.707312    0.00  -0.000092088  -0.000196557   0.000131339
 H     -3.344613      0.649400     -1.295818    0.00  -0.000011832  -0.000019744   0.000028922
 O     -2.992703     -0.765732      0.193729    0.00   0.000067950  -0.000486179  -0.000168282
26
 Energy =      -0.207170200081
 C      2.364051     -1.247039     -0.371880    0.00  -0.000052494  -0.000049254   0.000006856
 C      2.957580      0.167753     -0.354548    0.00   0.000040488  -0.000092369   0.000048937
 C      1.870704      1.225545     -0.582840    0.00   0.000121364  -0.000016181   0.000037118
 C      0.790351      1.146890      0.509189    0.00   0.000078343   0.000046697   0.000000226
 C      0.188776     -0.271649      0.527139    0.00  -0.000006895   0.000082503  -0.000025878
 C      1.230534     -1.407709      0.644643    0.00  -0.000086623   0.000013836  -0.000021426
 H      2.316989      2.236804     -0.595271    0.00   0.000015066  -0.000005908   0.000005756
 H      3.471131      0.352326      0.608570    0.00   0.000001273  -0.000012187   0.000004643
 H      3.736518      0.255714     -1.135602    0.00   0.000004869  -0.000011304   0.000006768
 H      1.977941     -1.474458     -1.387181    0.00  -0.000003245  -0.000000085   0.000000206
 H      3.154964     -1.993520     -0.168125    0.00  -0.000010782  -0.000007557   0.000000467
 H      1.271646      1.288736      1.513978    0.00   0.000003856   0.000001636   0.000000637
 H      1.615565     -1.396478      1.684309    0.00  -0.000009170  -0.000002184  -0.000001962
 H      0.736130     -2.391198      0.516207    0.00  -0.000011653   0.000005727  -0.000004182
 H      1.404911      1.082200     -1.578684    0.00   0.000012618   0.000002570   0.000002619
 O     -0.720296     -0.316011      1.612892    0.00  -0.000072980   0.000179563  -0.000086070
 C     -0.270774      2.231471      0.339233    0.00   0.000147871   0.000105206  -0.000043827
 H     -1.091964      2.078389      1.054359    0.00   0.000015023   0.000017329  -0.000003870
 H      0.147328      3.226738      0.524227    0.00   0.000016773   0.000004285  -0.000010666
 H     -0.698090      2.232015     -0.670320    0.00   0.000010551   0.000005458  -0.000001727
 H     -1.439953     -0.988018      1.461188    0.00   0.000011670   0.000007649   0.000003961
 O     -0.509917     -0.762335     -0.648321    0.00  -0.000005813   0.000218015  -0.000089615
 O     -1.431122      0.167108     -1.194848    0.00  -0.000190885   0.000165634   0.000174935
 C     -2.709303     -0.024518     -0.704231    0.00  -0.000086934  -0.000188040   0.000127535
 H     -3.351655      0.644918     -1.287515    0.00  -0.000010874  -0.000019442   0.000027972
 O     -2.991598     -0.779515      0.191213    0.00   0.000068581  -0.000451594  -0.000159414
26
 Energy =      -0.207203614933
 C      2.362157     -1.248846     -0.371659    0.00  -0.000048315  -0.000045225   0.000006106
 C      2.959145      0.164452     -0.352697    0.00   0.000039049  -0.000086475   0.000050064
 C      1.875087      1.225008     -0.581494    0.00   0.000116163  -0.000014804   0.000037302
 C      0.793186      1.148555      0.509214    0.00   0.000072754   0.000043691  -0.000000827
 C      0.188457     -0.268655      0.526185    0.00  -0.000006632   0.000077068  -0.000026077
 C      1.227399     -1.407274      0.643809    0.00  -0.000082169   0.000012551  -0.000022873
 H      2.323871      2.235178     -0.592851    0.00   0.000014232  -0.000005705   0.000005852
 H      3.472077      0.347119      0.611111    0.00   0.000000877  -0.000011559   0.000004701
 H      3.739159      0.251050     -1.132833    0.00   0.000004763  -0.000010559   0.000007024
 H      1.976347     -1.474563     -1.387454    0.00  -0.000002714   0.000000223   0.000000198
 H      3.151007     -1.997470     -0.167772    0.00  -0.000010256  -0.000006924   0.000000344
 H      1.273473      1.289463      1.514578    0.00   0.000003245   0.000001582   0.000000525
 H      1.611731     -1.397509      1.683746    0.00  -0.000008912  -0.000002294  -0.000002151
 H      0.730776     -2.389520      0.514365    0.00  -0.000010936   0.000005565  -0.000004428
 H      1.410078      1.083396     -1.577958    0.00   0.000012386   0.000002531   0.000002686
 O     -0.722079     -0.310958      1.610672    0.00  -0.000067014   0.000166705  -0.000081429
 C     -0.265482      2.235248      0.337527    0.00   0.000138373   0.000097821  -0.000045327
 H     -1.086632      2.085640      1.053397    0.00   0.000014014   0.000016190  -0.000004306
 H      0.154985      3.229996      0.519782    0.00   0.000015607   0.000003812  -0.000010249
 H     -0.693665      2.234172     -0.671717    0.00   0.000010118   0.000005046  -0.000002049
 H     -1.437630     -0.988026      1.462199    0.00   0.000011050   0.000007667   0.000003710
 O     -0.509896     -0.756721     -0.650669    0.00  -0.000008602   0.000206241  -0.000085583
 O     -1.435608      0.172084     -1.190745    0.00  -0.000184451   0.000152288   0.000167042
 C     -2.712586     -0.029941     -0.701081    0.00  -0.000081575  -0.000179280   0.000123518
 H     -3.358762      0.640340     -1.279113    0.00  -0.000009874  -0.000019096   0.000026994
 O     -2.990400     -0.793198      0.188763    0.00   0.000068818  -0.000417064  -0.000150767
26
 Energy =      -0.207234939748
 C      2.360298     -1.250618     -0.371450    0.00  -0.000044209  -0.000041287   0.000005422
 C      2.960755      0.161166     -0.350690    0.00   0.000037380  -0.000080574   0.000050587
 C      1.879547      1.224490     -0.580061    0.00   0.000110528  -0.000013511   0.000037136
 C      0.795987      1.150207      0.509204    0.00   0.000067201   0.000040680  -0.000001768
 C      0.188128     -0.265675      0.525169    0.00  -0.000006334   0.000071595  -0.000026045
 C      1.224233     -1.406860      0.642869    0.00  -0.000077536   0.000011330  -0.000023918
 H      2.330831      2.233563     -0.590249    0.00   0.000013354  -0.000005504   0.000005888
 H      3.472939      0.341867      0.613884    0.00   0.000000496  -0.000010906   0.000004675
 H      3.741940      0.246443     -1.129801    0.00   0.000004598  -0.000009826   0.000007204
 H      1.974870     -1.474546     -1.387784    0.00  -0.000002209   0.000000491   0.000000216
 H      3.147054     -2.001407     -0.167436    0.00  -0.000009721  -0.000006286   0.000000229
 H      1.275153      1.290201      1.515193    0.00   0.000002670   0.000001524   0.000000400
 H      1.607796     -1.398658      1.683103    0.00  -0.000008620  -0.000002363  -0.000002321
 H      0.725385     -2.387839      0.512298    0.00  -0.000010193   0.000005403  -0.000004600
 H      1.415440      1.084654     -1.577200    0.00   0.000012084   0.000002465   0.000002748
 O     -0.723815     -0.305957      1.608438    0.00  -0.000061321   0.000153914  -0.000076727
 C     -0.260218      2.238989      0.335660    0.00   0.000128814   0.000090445  -0.000046221
 H     -1.081399      2.092849      1.052172    0.00   0.000013021   0.000015044  -0.000004668
 H      0.162577      3.233212      0.515228    0.00   0.000014443   0.000003347  -0.000009790
 H     -0.689150      2.236297     -0.673322    0.00   0.000009654   0.000004634  -0.000002304
 H     -1.435320     -0.987945      1.463211    0.00   0.000010454   0.000007656   0.000003459
 O     -0.509945     -0.751091     -0.653051    0.00  -0.000011036   0.000194258  -0.000081380
 O     -1.440201      0.177009     -1.186605    0.00  -0.000177281   0.000139085   0.000158868
 C     -2.715883     -0.035375     -0.697859    0.00  -0.000076034  -0.000170306   0.000119268
 H     -3.365925      0.635673     -1.270607    0.00  -0.000008832  -0.000018706   0.000025986
 O     -2.989108     -0.806780      0.186382    0.00   0.000068631  -0.000382601  -0.000142343
26
 Energy =      -0.207264155161
 C      2.358477     -1.252355     -0.371253    0.00  -0.000040183  -0.000037437   0.000004795
 C      2.962408      0.157896     -0.348529    0.00   0.000035492  -0.000074667   0.000050516
 C      1.884084      1.223989     -0.578541    0.00   0.000104483  -0.000012295   0.000036632
 C      0.798753      1.151848      0.509158    0.00   0.000061691   0.000037671  -0.000002597
 C      0.187788     -0.262710      0.524091    0.00  -0.000005999   0.000066089  -0.000025777
 C      1.221038     -1.406467      0.641824    0.00  -0.000072725   0.000010173  -0.000024569
 H      2.337865      2.231960     -0.587467    0.00   0.000012432  -0.000005308   0.000005864
 H      3.473717      0.336570      0.616883    0.00   0.000000132  -0.000010229   0.000004566
 H      3.744858      0.241894     -1.126511    0.00   0.000004377  -0.000009106   0.000007309
 H      1.973510     -1.474411     -1.388170    0.00  -0.000001731   0.000000721   0.000000259
 H      3.143106     -2.005332     -0.167115    0.00  -0.000009177  -0.000005644   0.000000122
 H      1.276685      1.290952      1.515821    0.00   0.000002132   0.000001465   0.000000260
 H      1.603760     -1.399921      1.682380    0.00  -0.000008293  -0.000002396  -0.000002473
 H      0.719962     -2.386155      0.510010    0.00  -0.000009424   0.000005242  -0.000004705
 H      1.420994      1.085970     -1.576410    0.00   0.000011712   0.000002376   0.000002808
 O     -0.725505     -0.301006      1.606187    0.00  -0.000055877   0.000141197  -0.000071952
 C     -0.254984      2.242692      0.333632    0.00   0.000119207   0.000083082  -0.000046522
 H     -1.076269      2.100010      1.050683    0.00   0.000012047   0.000013893  -0.000004955
 H      0.170100      3.236384      0.510568    0.00   0.000013279   0.000002888  -0.000009289
 H     -0.684546      2.238388     -0.675135    0.00   0.000009156   0.000004224  -0.000002490
 H     -1.433024     -0.987783      1.464222    0.00   0.000009881   0.000007616   0.000003211
 O     -0.510062     -0.745445     -0.655469    0.00  -0.000013124   0.000182066  -0.000076995
 O     -1.444896      0.181883     -1.182429    0.00  -0.000169402   0.000126009   0.000150411
 C     -2.719190     -0.040814     -0.694566    0.00  -0.000070335  -0.000161129   0.000114775
 H     -3.373140      0.630924     -1.261996    0.00  -0.000007752  -0.000018276   0.000024944
 O     -2.987720     -0.820255      0.184071    0.00   0.000068000  -0.000348226  -0.000134148
26
 Energy =      -0.207291241071
 C      2.356693     -1.254058     -0.371067    0.00  -0.000036236  -0.000033674   0.000004217
 C      2.964102      0.154642     -0.346216    0.00   0.000033401  -0.000068753   0.000049869
 C      1.888692      1.223505     -0.576935    0.00   0.000098044  -0.000011148   0.000035797
 C      0.801483      1.153475      0.509077    0.00   0.000056230   0.000034668  -0.000003312
 C      0.187438     -0.259761      0.522952    0.00  -0.000005622   0.000060560  -0.000025280
 C      1.217815     -1.406095      0.640675    0.00  -0.000067738   0.000009079  -0.000024838
 H      2.344968      2.230368     -0.584508    0.00   0.000011470  -0.000005114   0.000005781
 H      3.474408      0.331234      0.620107    0.00  -0.000000216  -0.000009529   0.000004374
 H      3.747910      0.237402     -1.122963    0.00   0.000004100  -0.000008397   0.000007338
 H      1.972269     -1.474160     -1.388611    0.00  -0.000001281   0.000000915   0.000000328
 H      3.139166     -2.009242     -0.166809    0.00  -0.000008624  -0.000004999   0.000000021
 H      1.278068      1.291716      1.516463    0.00   0.000001631   0.000001400   0.000000107
 H      1.599624     -1.401299      1.681578    0.00  -0.000007932  -0.000002391  -0.000002607
 H      0.714508     -2.384470      0.507501    0.00  -0.000008632   0.000005081  -0.000004739
 H      1.426735      1.087341     -1.575587    0.00   0.000011275   0.000002264   0.000002865
 O     -0.727153     -0.296109      1.603919    0.00  -0.000050662   0.000128555  -0.000067091
 C     -0.249782      2.246354      0.331443    0.00   0.000109568   0.000075747  -0.000046236
 H     -1.071244      2.107119      1.048930    0.00   0.000011094   0.000012741  -0.000005166
 H      0.177551      3.239510      0.505804    0.00   0.000012121   0.000002436  -0.000008750
 H     -0.679857      2.240443     -0.677156    0.00   0.000008626   0.000003815  -0.000002607
 H     -1.430739     -0.987549      1.465230    0.00   0.000009328   0.000007551   0.000002970
 O     -0.510247     -0.739785     -0.657924    0.00  -0.000014874   0.000169661  -0.000072417
 O     -1.449689      0.186708     -1.178217    0.00  -0.000160840   0.000113067   0.000141669
 C     -2.722503     -0.046257     -0.691198    0.00  -0.000064498  -0.000151769   0.000110019
 H     -3.380401      0.626098     -1.253275    0.00  -0.000006636  -0.000017808   0.000023866
 O     -2.986238     -0.833622      0.181832    0.00   0.000066905  -0.000313957  -0.000126181
26
 Energy =      -0.207316177032
 C      2.354948     -1.255724     -0.370890    0.00  -0.000032368  -0.000029996   0.000003687
 C      2.965834      0.151405     -0.343750    0.00   0.000031116  -0.000062832   0.000048648
 C      1.893370      1.223038     -0.575243    0.00   0.000091229  -0.000010060   0.000034638
 C      0.804173      1.155090      0.508960    0.00   0.000050828   0.000031675  -0.000003914
 C      0.187078     -0.256830      0.521751    0.00  -0.000005208   0.000055011  -0.000024551
 C      1.214564     -1.405743      0.639422    0.00  -0.000062579   0.000008042  -0.000024729
 H      2.352136      2.228786     -0.581372    0.00   0.000010468  -0.000004922   0.000005643
 H      3.475010      0.325859      0.623555    0.00  -0.000000546  -0.000008809   0.000004101
 H      3.751093      0.232967     -1.119159    0.00   0.000003768  -0.000007701   0.000007295
 H      1.971149     -1.473794     -1.389105    0.00  -0.000000858   0.000001074   0.000000420
 H      3.135236     -2.013135     -0.166515    0.00  -0.000008064  -0.000004350  -0.000000075
 H      1.279300      1.292494      1.517117    0.00   0.000001167   0.000001332  -0.000000058
 H      1.595387     -1.402790      1.680695    0.00  -0.000007537  -0.000002350  -0.000002724
 H      0.709027     -2.382783      0.504771    0.00  -0.000007815   0.000004920  -0.000004705
 H      1.432662      1.088765     -1.574731    0.00   0.000010775   0.000002130   0.000002919
 O     -0.728758     -0.291266      1.601632    0.00  -0.000045657   0.000116005  -0.000062134
 C     -0.244616      2.249973      0.329095    0.00   0.000099908   0.000068447  -0.000045368
 H     -1.066329      2.114173      1.046913    0.00   0.000010164   0.000011587  -0.000005304
 H      0.184927      3.242589      0.500938    0.00   0.000010967   0.000001991  -0.000008173
 H     -0.675083      2.242459     -0.679384    0.00   0.000008066   0.000003408  -0.000002654
 H     -1.428464     -0.987249      1.466233    0.00   0.000008794   0.000007463   0.000002725
 O     -0.510497     -0.734111     -0.660417    0.00  -0.000016297   0.000157046  -0.000067632
 O     -1.454578      0.191482     -1.173971    0.00  -0.000151620   0.000100253   0.000132644
 C     -2.725820     -0.051700     -0.687755    0.00  -0.000058540  -0.000142238   0.000104990
 H     -3.387701      0.621202     -1.244441    0.00  -0.000005489  -0.000017303   0.000022749
 O     -2.984661     -0.846875      0.179666    0.00   0.000065328  -0.000279824  -0.000118441
26
 Energy =      -0.207417694376
 C      2.176732     -1.581389     -0.110972    0.00   0.000042529   0.000004456   0.000036070
 C      2.988359     -0.288817     -0.262460    0.00  -0.000043930  -0.000026676  -0.000084593
 C      2.092913      0.865779     -0.727210    0.00  -0.000086987  -0.000040563  -0.000096847
 C      0.964738      1.137081      0.283102    0.00   0.000033116   0.000006117  -0.000024102
 C      0.158548     -0.153765      0.525377    0.00   0.000015082   0.000001915   0.000034448
 C      1.004473     -1.404256      0.856535    0.00   0.000029557   0.000022711   0.000057659
 H      2.694185      1.783193     -0.867440    0.00  -0.000042951  -0.000048542  -0.000007924
 H      3.476408     -0.030892      0.697088    0.00  -0.000017336  -0.000004175  -0.000045082
 H      3.808977     -0.443705     -0.988425    0.00  -0.000018902  -0.000007517   0.000001110
 H      1.789921     -1.896643     -1.102190    0.00   0.000019674   0.000005768   0.000048599
 H      2.829182     -2.403102      0.240584    0.00  -0.000012978   0.000037805  -0.000005330
 H      1.417561      1.406526      1.274817    0.00   0.000001101  -0.000006151  -0.000023959
 H      1.360470     -1.293767      1.900954    0.00   0.000001348   0.000005911  -0.000001176
 H      0.362686     -2.308454      0.848247    0.00   0.000004499   0.000004730   0.000010237
 H      1.656412      0.630470     -1.718867    0.00   0.000008025   0.000000055   0.000049854
 O     -0.745826      0.134565      1.575941    0.00  -0.000002058   0.000007110   0.000024052
 C      0.079349      2.297390     -0.165973    0.00   0.000013419   0.000016301   0.000076418
 H     -0.759336      2.431799      0.531492    0.00   0.000007091  -0.000002162   0.000003262
 H      0.640369      3.237169     -0.197076    0.00  -0.000002867  -0.000009442   0.000010026
 H     -0.342323      2.125590     -1.164240    0.00   0.000002772   0.000008160   0.000017832
 H     -1.486139     -0.530714      1.616154    0.00  -0.000001544  -0.000000151   0.000000936
 O     -0.608015     -0.720874     -0.573192    0.00   0.000010936   0.000017148   0.000029514
 O     -1.504991      0.202889     -1.168049    0.00   0.000031042   0.000049469   0.000082215
 C     -2.770795      0.103732     -0.620520    0.00  -0.000011331  -0.000057769   0.000092502
 H     -3.408855      0.750159     -1.233401    0.00   0.000021156  -0.000021260   0.000034195
 O     -3.048120     -0.566490      0.342172    0.00  -0.000000465   0.000036752  -0.000319916
26
 Energy =      -0.207386706195
 C      2.172938     -1.579963     -0.118880    0.00   0.000116023  -0.000013742   0.000137674
 C      2.990309     -0.289380     -0.254583    0.00  -0.000043950   0.000006590  -0.000110491
 C      2.101789      0.871639     -0.716567    0.00  -0.000149157  -0.000105841  -0.000194124
 C      0.964379      1.138389      0.284464    0.00   0.000013098  -0.000021685  -0.000053429
 C      0.157605     -0.152817      0.522962    0.00   0.000018954  -0.000030419   0.000031697
 C      1.001487     -1.406164      0.850008    0.00   0.000059706   0.000020830   0.000097933
 H      2.706903      1.788699     -0.842636    0.00  -0.000049796  -0.000052267  -0.000028712
 H      3.472516     -0.040741      0.710340    0.00  -0.000014256   0.000008763  -0.000045474
 H      3.815399     -0.441263     -0.976062    0.00  -0.000014342  -0.000005038  -0.000006746
 H      1.784976     -1.882144     -1.113732    0.00   0.000031889  -0.000007060   0.000060677
 H      2.820907     -2.408870      0.223808    0.00  -0.000007537   0.000048213   0.000012145
 H      1.408815      1.409217      1.279723    0.00   0.000006954  -0.000005995  -0.000021104
 H      1.357528     -1.300349      1.894806    0.00   0.000000385   0.000008676   0.000003658
 H      0.358384     -2.309436      0.838043    0.00   0.000007725   0.000001820   0.000013804
 H      1.674614      0.646561     -1.714594    0.00  -0.000003917  -0.000017059   0.000042270
 O     -0.745099      0.135414      1.574570    0.00  -0.000017764  -0.000049205   0.000011649
 C      0.079726      2.296377     -0.172192    0.00  -0.000024738   0.000005775   0.000069302
 H     -0.758867      2.435928      0.524364    0.00   0.000006716  -0.000010736  -0.000007576
 H      0.641245      3.235638     -0.209690    0.00  -0.000015783  -0.000018501   0.000019359
 H     -0.342151      2.117916     -1.169240    0.00   0.000008124   0.000015191   0.000018803
 H     -1.486347     -0.529138      1.615812    0.00  -0.000000510  -0.000005200  -0.000000185
 O     -0.608683     -0.721811     -0.574717    0.00  -0.000000481   0.000038582   0.000004299
 O     -1.509746      0.195048     -1.173535    0.00   0.000076780   0.000195554   0.000182089
 C     -2.772978      0.098587     -0.619835    0.00  -0.000010393   0.000019648   0.000184855
 H     -3.416254      0.734354     -1.238450    0.00   0.000043084  -0.000018134   0.000069168
 O     -3.044010     -0.559168      0.353388    0.00  -0.000036813  -0.000008759  -0.000491542
26
 Energy =      -0.207330187746
 C      2.167255     -1.578622     -0.127864    0.00   0.000197739  -0.000031998   0.000252409
 C      2.991230     -0.290939     -0.249400    0.00  -0.000039146   0.000040844  -0.000131455
 C      2.109976      0.877493     -0.706583    0.00  -0.000226224  -0.000170048  -0.000292580
 C      0.965148      1.140268      0.286938    0.00  -0.000020498  -0.000053729  -0.000092563
 C      0.156765     -0.150612      0.521755    0.00   0.000025204  -0.000076388   0.000029428
 C      0.998391     -1.407181      0.844397    0.00   0.000099555   0.000020506   0.000154953
 H      2.719479      1.793533     -0.818876    0.00  -0.000055678  -0.000049133  -0.000050823
 H      3.469787     -0.052186      0.719817    0.00  -0.000010443   0.000022400  -0.000045792
 H      3.819141     -0.440647     -0.968076    0.00  -0.000013113  -0.000002594  -0.000011368
 H      1.776194     -1.867421     -1.125488    0.00   0.000041333  -0.000022946   0.000066930
 H      2.810599     -2.415083      0.204793    0.00   0.000005899   0.000050158   0.000033731
 H      1.403055      1.411034      1.285267    0.00   0.000009283  -0.000005421  -0.000022962
 H      1.356115     -1.305533      1.888905    0.00   0.000000795   0.000012818   0.000008940
 H      0.353498     -2.309198      0.830362    0.00   0.000013559   0.000000004   0.000019726
 H      1.690496      0.663596     -1.710259    0.00  -0.000018968  -0.000035466   0.000030086
 O     -0.743972      0.138128      1.574365    0.00  -0.000048176  -0.000131463  -0.000009324
 C      0.081802      2.297342     -0.174606    0.00  -0.000085547  -0.000036059   0.000030741
 H     -0.753749      2.444093      0.524144    0.00  -0.000000247  -0.000024680  -0.000020760
 H      0.645456      3.234902     -0.221278    0.00  -0.000027976  -0.000021472   0.000027843
 H     -0.344570      2.112361     -1.168566    0.00   0.000014658   0.000018411   0.000012903
 H     -1.487434     -0.524366      1.615679    0.00   0.000002103  -0.000013315  -0.000000882
 O     -0.608875     -0.722798     -0.574509    0.00  -0.000006058   0.000055259  -0.000033143
 O     -1.514073      0.185072     -1.180164    0.00   0.000141731   0.000392921   0.000306834
 C     -2.775468      0.090345     -0.622161    0.00   0.000018655   0.000159094   0.000276762
 H     -3.424418      0.711824     -1.249307    0.00   0.000062154   0.000004236   0.000099025
 O     -3.040248     -0.552022      0.363159    0.00  -0.000080592  -0.000101938  -0.000638661
26
 Energy =      -0.207243115835
 C      2.161247     -1.577306     -0.136740    0.00   0.000277046  -0.000051006   0.000363664
 C      2.991733     -0.292763     -0.245479    0.00  -0.000033297   0.000071173  -0.000153513
 C      2.117467      0.882914     -0.697495    0.00  -0.000303402  -0.000226841  -0.000383777
 C      0.966557      1.142326      0.289782    0.00  -0.000060016  -0.000086747  -0.000134770
 C      0.155984     -0.147823      0.521006    0.00   0.000033264  -0.000129173   0.000029692
 C      0.995164     -1.407861      0.839063    0.00   0.000147744   0.000023037   0.000224451
 H      2.731272      1.797622     -0.797212    0.00  -0.000062072  -0.000045425  -0.000070624
 H      3.467499     -0.063491      0.727388    0.00  -0.000006401   0.000034942  -0.000047268
 H      3.821795     -0.440757     -0.962008    0.00  -0.000013282  -0.000000719  -0.000015536
 H      1.766925     -1.853489     -1.136668    0.00   0.000049102  -0.000038197   0.000072791
 H      2.800111     -2.420855      0.186269    0.00   0.000020026   0.000050604   0.000054009
 H      1.399263      1.412076      1.290832    0.00   0.000009352  -0.000004213  -0.000026878
 H      1.354680     -1.310449      1.883222    0.00   0.000003211   0.000018519   0.000014700
 H      0.348262     -2.308475      0.823078    0.00   0.000020627  -0.000001558   0.000028364
 H      1.704502      0.679745     -1.706034    0.00  -0.000032974  -0.000051894   0.000018734
 O     -0.742510      0.141702      1.574726    0.00  -0.000089548  -0.000224940  -0.000036152
 C      0.084917      2.299482     -0.174779    0.00  -0.000158809  -0.000098366  -0.000028474
 H     -0.746298      2.453959      0.527502    0.00  -0.000012507  -0.000039409  -0.000032320
 H      0.651460      3.234741     -0.231144    0.00  -0.000038382  -0.000021161   0.000033033
 H     -0.347784      2.108801     -1.164918    0.00   0.000018968   0.000017033   0.000001595
 H     -1.488908     -0.517947      1.615592    0.00   0.000005081  -0.000023414  -0.000001302
 O     -0.609001     -0.723683     -0.573530    0.00  -0.000004576   0.000066513  -0.000075692
 O     -1.518332      0.174271     -1.187183    0.00   0.000218366   0.000613501   0.000443673
 C     -2.778265      0.080598     -0.625866    0.00   0.000061002   0.000328157   0.000370466
 H     -3.433076      0.685980     -1.262556    0.00   0.000079641   0.000036542   0.000126041
 O     -3.036854     -0.545051      0.371944    0.00  -0.000128163  -0.000216961  -0.000774908
26
 Energy =      -0.207123173188
 C      2.155302     -1.575988     -0.145303    0.00   0.000352680  -0.000070818   0.000469790
 C      2.992008     -0.294624     -0.242160    0.00  -0.000025411   0.000097746  -0.000179345
 C      2.124394      0.887894     -0.689155    0.00  -0.000375483  -0.000275954  -0.000466523
 C      0.968340      1.144459      0.292750    0.00  -0.000101999  -0.000120800  -0.000177449
 C      0.155221     -0.144704      0.520443    0.00   0.000043013  -0.000186749   0.000031885
 C      0.991767     -1.408429      0.833735    0.00   0.000204165   0.000028644   0.000304383
 H      2.742291      1.801094     -0.777459    0.00  -0.000068495  -0.000041872  -0.000087718
 H      3.465252     -0.074306      0.733996    0.00  -0.000001719   0.000046262  -0.000049946
 H      3.823986     -0.441163     -0.956744    0.00  -0.000014255   0.000000711  -0.000020260
 H      1.758029     -1.840342     -1.147281    0.00   0.000055559  -0.000052411   0.000079157
 H      2.789853     -2.426093      0.168674    0.00   0.000033469   0.000050823   0.000072503
 H      1.396759      1.412552      1.296279    0.00   0.000008068  -0.000002524  -0.000031515
 H      1.352773     -1.315516      1.877649    0.00   0.000007550   0.000025689   0.000020674
 H      0.342713     -2.307537      0.815474    0.00   0.000028811  -0.000002933   0.000039510
 H      1.717124      0.694735     -1.701915    0.00  -0.000045356  -0.000065953   0.000008544
 O     -0.740769      0.145726      1.575435    0.00  -0.000140388  -0.000323291  -0.000069664
 C      0.088709      2.302405     -0.173556    0.00  -0.000240614  -0.000174910  -0.000101047
 H     -0.737745      2.464428      0.532673    0.00  -0.000026907  -0.000053312  -0.000042164
 H      0.658450      3.235092     -0.239116    0.00  -0.000047953  -0.000020356   0.000034141
 H     -0.350873      2.107024     -1.159728    0.00   0.000020309   0.000011605  -0.000011812
 H     -1.490568     -0.510548      1.615540    0.00   0.000008111  -0.000034804  -0.000001703
 O     -0.609175     -0.724442     -0.572152    0.00   0.000002505   0.000072641  -0.000121438
 O     -1.522623      0.163041     -1.194390    0.00   0.000302000   0.000847953   0.000587944
 C     -2.781275      0.069957     -0.630263    0.00   0.000109199   0.000515408   0.000463975
 H     -3.442087      0.658065     -1.276808    0.00   0.000096281   0.000074947   0.000150791
 O     -3.033642     -0.538140      0.380079    0.00  -0.000183139  -0.000345742  -0.000902711
26
 Energy =      -0.206969002827
 C      2.149507     -1.574665     -0.153547    0.00   0.000425500  -0.000091022   0.000571420
 C      2.992106     -0.296448     -0.239138    0.00  -0.000013853   0.000121147  -0.000210217
 C      2.130834      0.892469     -0.681439    0.00  -0.000440153  -0.000317834  -0.000540933
 C      0.970350      1.146642      0.295747    0.00  -0.000144253  -0.000156508  -0.000219626
 C      0.154454     -0.141358      0.519970    0.00   0.000054441  -0.000248390   0.000034963
 C      0.988176     -1.408977      0.828302    0.00   0.000268933   0.000037503   0.000393696
 H      2.752600      1.804051     -0.759385    0.00  -0.000074576  -0.000038470  -0.000102165
 H      3.462825     -0.084573      0.740104    0.00   0.000003952   0.000056450  -0.000053778
 H      3.825967     -0.441690     -0.951767    0.00  -0.000015779   0.000001795  -0.000025953
 H      1.749714     -1.827862     -1.157424    0.00   0.000060916  -0.000065695   0.000086065
 H      2.779897     -2.430840      0.152002    0.00   0.000046117   0.000051005   0.000089439
 H      1.395159      1.412626      1.301569    0.00   0.000005950  -0.000000605  -0.000036334
 H      1.350257     -1.320899      1.872121    0.00   0.000013716   0.000034291   0.000026796
 H      0.336847     -2.306492      0.807306    0.00   0.000038111  -0.000004156   0.000052963
 H      1.728635      0.708568     -1.697891    0.00  -0.000056041  -0.000077684  -0.000000646
 O     -0.738778      0.149999      1.576419    0.00  -0.000200194  -0.000422648  -0.000111552
 C      0.092982      2.305917     -0.171393    0.00  -0.000328675  -0.000262320  -0.000182023
 H     -0.728720      2.474992      0.538763    0.00  -0.000041467  -0.000066056  -0.000050763
 H      0.666024      3.235936     -0.245205    0.00  -0.000057491  -0.000020546   0.000031381
 H     -0.353402      2.106859     -1.153749    0.00   0.000018845   0.000002822  -0.000025161
 H     -1.492315     -0.502491      1.615548    0.00   0.000011051  -0.000047067  -0.000002284
 O     -0.609423     -0.725069     -0.570529    0.00   0.000013500   0.000073438  -0.000169791
 O     -1.526958      0.151537     -1.201711    0.00   0.000389289   0.001092270   0.000737570
 C     -2.784408      0.058704     -0.635034    0.00   0.000158893   0.000715345   0.000555266
 H     -3.451340      0.628653     -1.291401    0.00   0.000112235   0.000117628   0.000173186
 O     -3.030462     -0.531227      0.387730    0.00  -0.000248967  -0.000484692  -0.001021521
26
 Energy =      -0.206779662879
 C      2.143870     -1.573339     -0.161498    0.00   0.000496678  -0.000111103   0.000669347
 C      2.992034     -0.298208     -0.236250    0.00   0.000002888   0.000141966  -0.000246761
 C      2.136829      0.896679     -0.674258    0.00  -0.000496010  -0.000353017  -0.000607428
 C      0.972492      1.148875      0.298732    0.00  -0.000185153  -0.000194534  -0.000260966
 C      0.153671     -0.137836      0.519553    0.00   0.000067445  -0.000313877   0.000037851
 C      0.984376     -1.409556      0.822715    0.00   0.000342228   0.000049913   0.000491793
 H      2.762256      1.806567     -0.742809    0.00  -0.000080113  -0.000035158  -0.000114104
 H      3.460086     -0.094307      0.745962    0.00   0.000010863   0.000065632  -0.000058725
 H      3.827847     -0.442252     -0.946803    0.00  -0.000017681   0.000002604  -0.000032798
 H      1.742008     -1.815949     -1.167186    0.00   0.000065324  -0.000078176   0.000093420
 H      2.770238     -2.435159      0.136165    0.00   0.000058100   0.000051162   0.000105094
 H      1.394223      1.412424      1.306691    0.00   0.000003330   0.000001287  -0.000041080
 H      1.347090     -1.326674      1.866597    0.00   0.000021653   0.000044346   0.000033058
 H      0.330656     -2.305385      0.798485    0.00   0.000048569  -0.000005257   0.000068609
 H      1.739190      0.721296     -1.693958    0.00  -0.000065027  -0.000087205  -0.000008987
 O     -0.736554      0.154406      1.577661    0.00  -0.000268860  -0.000520236  -0.000163579
 C      0.097611      2.309906     -0.168566    0.00  -0.000420930  -0.000358361  -0.000267635
 H     -0.719565      2.485427      0.545291    0.00  -0.000055236  -0.000077823  -0.000058559
 H      0.673973      3.237252     -0.249538    0.00  -0.000067431  -0.000022291   0.000025508
 H     -0.355192      2.108144     -1.147404    0.00   0.000015107  -0.000008583  -0.000037370
 H     -1.494091     -0.493965      1.615644    0.00   0.000013815  -0.000059922  -0.000003204
 O     -0.609742     -0.725561     -0.568738    0.00   0.000026581   0.000068244  -0.000220387
 O     -1.531321      0.139837     -1.209111    0.00   0.000477569   0.001344044   0.000891264
 C     -2.787589      0.047000     -0.640005    0.00   0.000207031   0.000924419   0.000642848
 H     -3.460743      0.598088     -1.305951    0.00   0.000127471   0.000163445   0.000193030
 O     -3.027209     -0.524284      0.394976    0.00  -0.000328209  -0.000631519  -0.001130239
26
 Energy =      -0.206554434395
 C      2.138372     -1.572019     -0.169191    0.00   0.000567253  -0.000130511   0.000764272
 C      2.991780     -0.299895     -0.233400    0.00   0.000026121   0.000160735  -0.000289234
 C      2.142401      0.900558     -0.667548    0.00  -0.000542122  -0.000382024  -0.000666504
 C      0.974701      1.151166      0.301685    0.00  -0.000223510  -0.000235531  -0.000301520
 C      0.152865     -0.134165      0.519183    0.00   0.000081768  -0.000383146   0.000039404
 C      0.980353     -1.410195      0.816947    0.00   0.000424368   0.000066222   0.000598392
 H      2.771301      1.808698     -0.727595    0.00  -0.000084993  -0.000031880  -0.000123677
 H      3.456944     -0.103539      0.751721    0.00   0.000019176   0.000073916  -0.000064724
 H      3.829675     -0.442810     -0.941694    0.00  -0.000019816   0.000003190  -0.000040884
 H      1.734886     -1.804528     -1.176637    0.00   0.000068907  -0.000089934   0.000101142
 H      2.760847     -2.439108      0.121071    0.00   0.000069550   0.000051280   0.000119664
 H      1.393789      1.412049      1.311641    0.00   0.000000438   0.000002900  -0.000045624
 H      1.343257     -1.332888      1.861050    0.00   0.000031357   0.000055937   0.000039473
 H      0.324125     -2.304240      0.788970    0.00   0.000060236  -0.000006261   0.000086409
 H      1.748883      0.732981     -1.690111    0.00  -0.000072299  -0.000094641  -0.000016600
 O     -0.734108      0.158867      1.579161    0.00  -0.000346333  -0.000614069  -0.000227248
 C      0.102503      2.314291     -0.165266    0.00  -0.000515299  -0.000461212  -0.000354839
 H     -0.710459      2.495651      0.551989    0.00  -0.000067908  -0.000088997  -0.000065851
 H      0.682173      3.239006     -0.252317    0.00  -0.000077900  -0.000025588   0.000017520
 H     -0.356213      2.110705     -1.140941    0.00   0.000009758  -0.000021899  -0.000048094
 H     -1.495856     -0.485093      1.615858    0.00   0.000016334  -0.000073182  -0.000004577
 O     -0.610117     -0.725909     -0.566819    0.00   0.000039790   0.000056076  -0.000272950
 O     -1.535687      0.127987     -1.216571    0.00   0.000564587   0.001601541   0.001048063
 C     -2.790754      0.034952     -0.645068    0.00   0.000251225   0.001139981   0.000725626
 H     -3.470215      0.566609     -1.320214    0.00   0.000141893   0.000211559   0.000210153
 O     -3.023804     -0.517301      0.401856    0.00  -0.000422580  -0.000784462  -0.001227793
26
 Energy =      -0.206292736074
 C      2.132989     -1.570713     -0.176656    0.00   0.000638088  -0.000148703   0.000856751
 C      2.991331     -0.301511     -0.230532    0.00   0.000056925   0.000177901  -0.000337607
 C      2.147564      0.904134     -0.661258    0.00  -0.000577775  -0.000405309  -0.000718706
 C      0.976927      1.153525      0.304600    0.00  -0.000258525  -0.000280185  -0.000341596
 C      0.152034     -0.130361      0.518867    0.00   0.000097110  -0.000456264   0.000038462
 C      0.976097     -1.410913      0.810985    0.00   0.000515744   0.000086874   0.000713535
 H      2.779771      1.810489     -0.713634    0.00  -0.000089133  -0.000028584  -0.000130999
 H      3.453341     -0.112306      0.757477    0.00   0.000028997   0.000081402  -0.000071714
 H      3.831469     -0.443342     -0.936346    0.00  -0.000022046   0.000003599  -0.000050220
 H      1.728307     -1.793545     -1.185832    0.00   0.000071740  -0.000101008   0.000109164
 H      2.751696     -2.442737      0.106638    0.00   0.000080587   0.000051342   0.000133295
 H      1.393738      1.411593      1.316423    0.00  -0.000002576   0.000004001  -0.000049908
 H      1.338750     -1.339579      1.855456    0.00   0.000042858   0.000069188   0.000046061
 H      0.317237     -2.303067      0.778742    0.00   0.000073186  -0.000007184   0.000106409
 H      1.757772      0.743684     -1.686348    0.00  -0.000077837  -0.000100121  -0.000023590
 O     -0.731447      0.163328      1.580928    0.00  -0.000432436  -0.000702862  -0.000303697
 C      0.107584      2.319013     -0.161629    0.00  -0.000609779  -0.000569275  -0.000441104
 H     -0.701493      2.505662      0.558710    0.00  -0.000079522  -0.000099997  -0.000072807
 H      0.690545      3.241153     -0.253786    0.00  -0.000088825  -0.000030158   0.000008458
 H     -0.356521      2.114364     -1.134501    0.00   0.000003456  -0.000036452  -0.000057393
 H     -1.497579     -0.475961      1.616217    0.00   0.000018540  -0.000086703  -0.000006520
 O     -0.610523     -0.726102     -0.564802    0.00   0.000051022   0.000035880  -0.000327236
 O     -1.540030      0.116021     -1.224076    0.00   0.000648370   0.001863414   0.001207026
 C     -2.793850      0.022641     -0.650150    0.00   0.000289535   0.001359961   0.000802796
 H     -3.479684      0.534401     -1.334019    0.00   0.000155361   0.000261317   0.000224427
 O     -3.020193     -0.510276      0.408393    0.00  -0.000533063  -0.000942077  -0.001313288
26
 Energy =      -0.205994070877
 C      2.127698     -1.569430     -0.183920    0.00   0.000709799  -0.000165196   0.000947291
 C      2.990670     -0.303059     -0.227608    0.00   0.000096192   0.000193856  -0.000391614
 C      2.152323      0.907431     -0.655350    0.00  -0.000602356  -0.000423269  -0.000764550
 C      0.979136      1.155964      0.307477    0.00  -0.000289732  -0.000329154  -0.000381792
 C      0.151180     -0.126432      0.518616    0.00   0.000113087  -0.000533440   0.000033774
 C      0.971596     -1.411728      0.804816    0.00   0.000616853   0.000112382   0.000837598
 H      2.787695      1.811974     -0.700840    0.00  -0.000092478  -0.000025228  -0.000136159
 H      3.449236     -0.120642      0.763288    0.00   0.000040388   0.000088177  -0.000079609
 H      3.833228     -0.443837     -0.930702    0.00  -0.000024238   0.000003859  -0.000060776
 H      1.722230     -1.782962     -1.194814    0.00   0.000073864  -0.000111389   0.000117443
 H      2.742758     -2.446087      0.092802    0.00   0.000091291   0.000051332   0.000146073
 H      1.393985      1.411133      1.321039    0.00  -0.000005621   0.000004374  -0.000053920
 H      1.333562     -1.346784      1.849798    0.00   0.000056234   0.000084286   0.000052850
 H      0.309976     -2.301870      0.767780    0.00   0.000087516  -0.000008037   0.000128746
 H      1.765894      0.753456     -1.682667    0.00  -0.000081593  -0.000103751  -0.000030053
 O     -0.728577      0.167750      1.582972    0.00  -0.000526702  -0.000785927  -0.000393689
 C      0.112792      2.324021     -0.157763    0.00  -0.000702613  -0.000681166  -0.000524305
 H     -0.692705      2.515499      0.565369    0.00  -0.000090258  -0.000111202  -0.000079481
 H      0.699030      3.243640     -0.254203    0.00  -0.000100045  -0.000035636  -0.000000724
 H     -0.356214      2.118941     -1.128161    0.00  -0.000003227  -0.000051628  -0.000065502
 H     -1.499239     -0.466635      1.616746    0.00   0.000020390  -0.000100389  -0.000009105
 O     -0.610932     -0.726127     -0.562703    0.00   0.000058042   0.000006531  -0.000383178
 O     -1.544323      0.103965     -1.231612    0.00   0.000727162   0.002128909   0.001367304
 C     -2.796830      0.010126     -0.655200    0.00   0.000320286   0.001582623   0.000873656
 H     -3.489085      0.501618     -1.347247    0.00   0.000167703   0.000312154   0.000235747
 O     -3.016336     -0.503213      0.414596    0.00  -0.000659944  -0.001103070  -0.001386024
26
 Energy =      -0.205657979662
 C      2.122479     -1.568182     -0.191006    0.00   0.000782740  -0.000179515   0.001036400
 C      2.989781     -0.304544     -0.224606    0.00   0.000144629   0.000208890  -0.000450775
 C      2.156681      0.910471     -0.649791    0.00  -0.000615271  -0.000436197  -0.000804528
 C      0.981301      1.158495      0.310324    0.00  -0.000316942  -0.000383134  -0.000423035
 C      0.150307     -0.122381      0.518449    0.00   0.000129276  -0.000615061   0.000023958
 C      0.966841     -1.412654      0.798430    0.00   0.000728305   0.000143303   0.000971380
 H      2.795093      1.813181     -0.689145    0.00  -0.000094980  -0.000021775  -0.000139204
 H      3.444602     -0.128579      0.769190    0.00   0.000053370   0.000094317  -0.000088293
 H      3.834944     -0.444290     -0.924728    0.00  -0.000026255   0.000003985  -0.000072483
 H      1.716621     -1.772755     -1.203619    0.00   0.000075271  -0.000121043   0.000125967
 H      2.734010     -2.449191      0.079510    0.00   0.000101707   0.000051233   0.000158040
 H      1.394465      1.410741      1.325497    0.00  -0.000008649   0.000003812  -0.000057688
 H      1.327679     -1.354544      1.844057    0.00   0.000071613   0.000101480   0.000059881
 H      0.302323     -2.300651      0.756058    0.00   0.000103340  -0.000008832   0.000153659
 H      1.773266      0.762346     -1.679063    0.00  -0.000083475  -0.000105605  -0.000036086
 O     -0.725507      0.172103      1.585304    0.00  -0.000628195  -0.000863139  -0.000497594
 C      0.118073      2.329270     -0.153753    0.00  -0.000792422  -0.000795720  -0.000602597
 H     -0.684105      2.525217      0.571915    0.00  -0.000100320  -0.000122929  -0.000085842
 H      0.707583      3.246413     -0.253821    0.00  -0.000111375  -0.000041679  -0.000009214
 H     -0.355406      2.124262     -1.121959    0.00  -0.000009851  -0.000066879  -0.000072681
 H     -1.500817     -0.457163      1.617466    0.00   0.000021846  -0.000114159  -0.000012396
 O     -0.611316     -0.725970     -0.560533    0.00   0.000058442  -0.000033026  -0.000440947
 O     -1.548540      0.091835     -1.239167    0.00   0.000799355   0.002397870   0.001527985
 C     -2.799654     -0.002541     -0.660179    0.00   0.000342011   0.001806467   0.000937554
 H     -3.498356      0.468397     -1.359808    0.00   0.000178702   0.000363562   0.000244026
 O     -3.012206     -0.496118      0.420471    0.00  -0.000802873  -0.001266228  -0.001445487
26
 Energy =      -0.205283995076
 C      2.117315     -1.566976     -0.197934    0.00   0.000856981  -0.000191181   0.001124663
 C      2.988651     -0.305973     -0.221516    0.00   0.000202758   0.000223255  -0.000514368
 C      2.160639      0.913269     -0.644554    0.00  -0.000615868  -0.000444271  -0.000839143
 C      0.983405      1.161131      0.313153    0.00  -0.000340241  -0.000442888  -0.000466607
 C      0.149419     -0.118209      0.518385    0.00   0.000145158  -0.000701736   0.000007409
 C      0.961821     -1.413706      0.791814    0.00   0.000850819   0.000180207   0.001116171
 H      2.801984      1.814131     -0.678498    0.00  -0.000096590  -0.000018189  -0.000140130
 H      3.439425     -0.136144      0.775203    0.00   0.000067926   0.000099891  -0.000097627
 H      3.836602     -0.444698     -0.918413    0.00  -0.000027969   0.000003971  -0.000085238
 H      1.711455     -1.762914     -1.212276    0.00   0.000075908  -0.000129895   0.000134750
 H      2.725438     -2.452076      0.066728    0.00   0.000111845   0.000051033   0.000169194
 H      1.395131      1.410483      1.329806    0.00  -0.000011655   0.000002103  -0.000061272
 H      1.321082     -1.362907      1.838213    0.00   0.000089176   0.000121095   0.000067222
 H      0.294259     -2.299407      0.743537    0.00   0.000120793  -0.000009589   0.000181499
 H      1.779894      0.770393     -1.675530    0.00  -0.000083332  -0.000105725  -0.000041790
 O     -0.722250      0.176369      1.587927    0.00  -0.000735343  -0.000934852  -0.000615388
 C      0.123383      2.334720     -0.149671    0.00  -0.000878246  -0.000912011  -0.000674347
 H     -0.675689      2.534874      0.578315    0.00  -0.000109870  -0.000135419  -0.000091777
 H      0.716162      3.249417     -0.252877    0.00  -0.000122647  -0.000048012  -0.000016358
 H     -0.354209      2.130162     -1.115916    0.00  -0.000016128  -0.000081721  -0.000079132
 H     -1.502300     -0.447589      1.618393    0.00   0.000022888  -0.000127944  -0.000016423
 O     -0.611639     -0.725617     -0.558301    0.00   0.000049615  -0.000083795  -0.000501071
 O     -1.552655      0.079645     -1.246728    0.00   0.000863443   0.002670907   0.001688117
 C     -2.802285     -0.015313     -0.665056    0.00   0.000353328   0.002030050   0.000993816
 H     -3.507437      0.434870     -1.371635    0.00   0.000188104   0.000415031   0.000249174
 O     -3.007790     -0.489002      0.426021    0.00  -0.000960854  -0.001430316  -0.001491345
26
 Energy =      -0.204871594867
 C      2.112195     -1.565825     -0.204721    0.00   0.000932245  -0.000199668   0.001212810
 C      2.987268     -0.307349     -0.218335    0.00   0.000270904   0.000237183  -0.000581444
 C      2.164192      0.915839     -0.639615    0.00  -0.000603363  -0.000447496  -0.000868917
 C      0.985435      1.163885      0.315981    0.00  -0.000359977  -0.000509348  -0.000514217
 C      0.148525     -0.113913      0.518450    0.00   0.000160224  -0.000794332  -0.000017755
 C      0.956524     -1.414894      0.784950    0.00   0.000985150   0.000223695   0.001273854
 H      2.808377      1.814843     -0.668863    0.00  -0.000097254  -0.000014427  -0.000138879
 H      3.433700     -0.143364      0.781329    0.00   0.000084003   0.000104969  -0.000107446
 H      3.838184     -0.445056     -0.911760    0.00  -0.000029251   0.000003786  -0.000098891
 H      1.706718     -1.753438     -1.220812    0.00   0.000075660  -0.000137830   0.000143840
 H      2.717035     -2.454766      0.054429    0.00   0.000121685   0.000050724   0.000179496
 H      1.395949      1.410418      1.333980    0.00  -0.000014669  -0.000000976  -0.000064766
 H      1.313745     -1.371929      1.832242    0.00   0.000109153   0.000143528   0.000074971
 H      0.285764     -2.298132      0.730168    0.00   0.000140025  -0.000010337   0.000212744
 H      1.785770      0.777628     -1.672059    0.00  -0.000080959  -0.000104103  -0.000047281
 O     -0.718825      0.180538      1.590846    0.00  -0.000845776  -0.001001897  -0.000746667
 C      0.128684      2.340337     -0.145577    0.00  -0.000959542  -0.001029330  -0.000738020
 H     -0.667451      2.544528      0.584536    0.00  -0.000119011  -0.000148853  -0.000097092
 H      0.724731      3.252604     -0.251584    0.00  -0.000133713  -0.000054440  -0.000021648
 H     -0.352725      2.136486     -1.110041    0.00  -0.000021918  -0.000095736  -0.000084974
 H     -1.503680     -0.437952      1.619540    0.00   0.000023521  -0.000141646  -0.000021170
 O     -0.611867     -0.725054     -0.556009    0.00   0.000028645  -0.000146793  -0.000564552
 O     -1.556642      0.067399     -1.254278    0.00   0.000917954   0.002949478   0.001846624
 C     -2.804689     -0.028149     -0.669804    0.00   0.000352912   0.002251838   0.001041697
 H     -3.516267      0.401169     -1.382676    0.00   0.000195616   0.000466005   0.000251109
 O     -3.003086     -0.481880      0.431247    0.00  -0.001132264  -0.001593994  -0.001523426
26
 Energy =      -0.204420154018
 C      2.107114     -1.564737     -0.211384    0.00   0.001007873  -0.000204283   0.001301780
 C      2.985624     -0.308679     -0.215067    0.00   0.000349161   0.000250940  -0.000650799
 C      2.167333      0.918190     -0.634955    0.00  -0.000576811  -0.000445634  -0.000894451
 C      0.987384      1.166771      0.318831    0.00  -0.000376747  -0.000583685  -0.000568030
 C      0.147633     -0.109486      0.518674    0.00   0.000173847  -0.000894036  -0.000053797
 C      0.950943     -1.416233      0.777818    0.00   0.001132040   0.000274326   0.001447018
 H      2.814279      1.815328     -0.660217    0.00  -0.000096901  -0.000010432  -0.000135324
 H      3.427433     -0.150259      0.787562    0.00   0.000101516   0.000109630  -0.000117569
 H      3.839670     -0.445359     -0.904784    0.00  -0.000029984   0.000003379  -0.000113252
 H      1.702405     -1.744335     -1.229250    0.00   0.000074340  -0.000144683   0.000153324
 H      2.708799     -2.457277      0.042600    0.00   0.000131161   0.000050308   0.000188883
 H      1.396894      1.410609      1.338034    0.00  -0.000017759  -0.000005678  -0.000068300
 H      1.305635     -1.381673      1.826117    0.00   0.000131827   0.000169257   0.000083280
 H      0.276822     -2.296819      0.715887    0.00   0.000161201  -0.000011133   0.000248012
 H      1.790871      0.784072     -1.668640    0.00  -0.000076071  -0.000100692  -0.000052690
 O     -0.715258      0.184604      1.594057    0.00  -0.000956101  -0.001065559  -0.000890597
 C      0.133944      2.346089     -0.141526    0.00  -0.001036097  -0.001147169  -0.000792116
 H     -0.659387      2.554228      0.590544    0.00  -0.000127762  -0.000163355  -0.000101520
 H      0.733255      3.255933     -0.250131    0.00  -0.000144448  -0.000060840  -0.000024698
 H     -0.351035      2.143091     -1.104346    0.00  -0.000027224  -0.000108546  -0.000090227
 H     -1.504951     -0.428290      1.620912    0.00   0.000023784  -0.000155137  -0.000026569
 O     -0.611961     -0.724266     -0.553653    0.00  -0.000007728  -0.000223091  -0.000632975
 O     -1.560478      0.055098     -1.261801    0.00   0.000961389   0.003235921   0.002002205
 C     -2.806833     -0.041005     -0.674399    0.00   0.000339424   0.002470097   0.001080402
 H     -3.524783      0.367437     -1.392892    0.00   0.000200910   0.000515848   0.000249760
 O     -2.998100     -0.474767      0.436151    0.00  -0.001314839  -0.001755754  -0.001541751
26
 Energy =      -0.203928892976
 C      2.102076     -1.563727     -0.217939    0.00   0.001082700  -0.000204075   0.001392875
 C      2.983714     -0.309968     -0.211724    0.00   0.000437375   0.000264945  -0.000720993
 C      2.170053      0.920328     -0.630556    0.00  -0.000535078  -0.000438141  -0.000916441
 C      0.989250      1.169805      0.321731    0.00  -0.000391346  -0.000667322  -0.000630721
 C      0.146753     -0.104919      0.519088    0.00   0.000185289  -0.001002466  -0.000103418
 C      0.945068     -1.417732      0.770391    0.00   0.001292125   0.000332562   0.001639072
 H      2.819690      1.815595     -0.652552    0.00  -0.000095460  -0.000006139  -0.000129290
 H      3.420641     -0.156850      0.793884    0.00   0.000120337   0.000113976  -0.000127783
 H      3.841038     -0.445602     -0.897515    0.00  -0.000030068   0.000002667  -0.000128099
 H      1.698528     -1.735628     -1.237615    0.00   0.000071684  -0.000150225   0.000163339
 H      2.700737     -2.459628      0.031240    0.00   0.000140174   0.000049818   0.000197242
 H      1.397952      1.411116      1.341988    0.00  -0.000021018  -0.000012310  -0.000072027
 H      1.296712     -1.392210      1.819802    0.00   0.000157532   0.000198830   0.000092367
 H      0.267413     -2.295454      0.700613    0.00   0.000184479  -0.000012067   0.000288059
 H      1.795163      0.789738     -1.665256    0.00  -0.000068302  -0.000095367  -0.000058169
 O     -0.711586      0.188568      1.597552    0.00  -0.001061702  -0.001127539  -0.001045867
 C      0.139140      2.351948     -0.137567    0.00  -0.001107904  -0.001265198  -0.000835105
 H     -0.651499      2.564016      0.596298    0.00  -0.000136066  -0.000179012  -0.000104727
 H      0.741701      3.259365     -0.248685    0.00  -0.000154736  -0.000067161  -0.000025222
 H     -0.349201      2.149841     -1.098844    0.00  -0.000032163  -0.000119801  -0.000094812
 H     -1.506118     -0.418647      1.622504    0.00   0.000023770  -0.000168253  -0.000032465
 O     -0.611880     -0.723241     -0.551226    0.00  -0.000063195  -0.000313928  -0.000708678
 O     -1.564136      0.042736     -1.269275    0.00   0.000992163   0.003533493   0.002153274
 C     -2.808686     -0.053833     -0.678818    0.00   0.000311460   0.002682756   0.001109079
 H     -3.532924      0.333833     -1.402252    0.00   0.000203637   0.000563804   0.000245075
 O     -2.992850     -0.467685      0.440734    0.00  -0.001505686  -0.001913846  -0.001546564
26
 Energy =      -0.203396815797
 C      2.097089     -1.562808     -0.224402    0.00   0.001154985  -0.000197643   0.001487826
 C      2.981538     -0.311221     -0.208324    0.00   0.000535123   0.000279878  -0.000790354
 C      2.172340      0.922255     -0.626400    0.00  -0.000476819  -0.000424080  -0.000935774
 C      0.991034      1.173003      0.324713    0.00  -0.000404780  -0.000762085  -0.000705413
 C      0.145896     -0.100200      0.519731    0.00   0.000193695  -0.001121679  -0.000169829
 C      0.938895     -1.419400      0.762634    0.00   0.001465795   0.000398677   0.001854368
 H      2.824608      1.815647     -0.645871    0.00  -0.000092852  -0.000001442  -0.000120534
 H      3.413348     -0.163160      0.800268    0.00   0.000140319   0.000118151  -0.000137877
 H      3.842270     -0.445772     -0.889994    0.00  -0.000029430   0.000001544  -0.000143172
 H      1.695108     -1.727347     -1.245932    0.00   0.000067325  -0.000154144   0.000174078
 H      2.692864     -2.461832      0.020355    0.00   0.000148575   0.000049317   0.000204443
 H      1.399119      1.412002      1.345864    0.00  -0.000024573  -0.000021239  -0.000076131
 H      1.286933     -1.403618      1.813255    0.00   0.000186639   0.000232850   0.000102560
 H      0.257528     -2.294022      0.684252    0.00   0.000209990  -0.000013289   0.000333772
 H      1.798601      0.794630     -1.661891    0.00  -0.000057208  -0.000087950  -0.000063893
 O     -0.707857      0.192437      1.601316    0.00  -0.001156516  -0.001189968  -0.001210657
 C      0.144249      2.357887     -0.133747    0.00  -0.001175025  -0.001383279  -0.000865388
 H     -0.643800      2.573922      0.601745    0.00  -0.000143784  -0.000195875  -0.000106310
 H      0.750036      3.262872     -0.247387    0.00  -0.000164445  -0.000073405  -0.000023002
 H     -0.347262      2.156611     -1.093553    0.00  -0.000036934  -0.000129169  -0.000098581
 H     -1.507188     -0.409070      1.624301    0.00   0.000023659  -0.000180775  -0.000038590
 O     -0.611579     -0.721965     -0.548713    0.00  -0.000141938  -0.000420815  -0.000794877
 O     -1.567590      0.030301     -1.276674    0.00   0.001008549   0.003846372   0.002297847
 C     -2.810218     -0.066583     -0.683040    0.00   0.000267505   0.002887298   0.001126834
 H     -3.540622      0.300532     -1.410736    0.00   0.000203438   0.000608976   0.000237038
 O     -2.987364     -0.460659      0.445000    0.00  -0.001701292  -0.002066227  -0.001538383
26
 Energy =      -0.202822629095
 C      2.092172     -1.561998     -0.230793    0.00   0.001222263  -0.000182930   0.001588966
 C      2.979101     -0.312447     -0.204890    0.00   0.000641748   0.000296845  -0.000857022
 C      2.174180      0.923967     -0.622472    0.00  -0.000400520  -0.000402048  -0.000953530
 C      0.992744      1.176387      0.327816    0.00  -0.000418149  -0.000870212  -0.000795586
 C      0.145076     -0.095312      0.520646    0.00   0.000198122  -0.001254266  -0.000256740
 C      0.932426     -1.421242      0.754508    0.00   0.001652965   0.000472676   0.002098315
 H      2.829025      1.815480     -0.640187    0.00  -0.000089002   0.000003800  -0.000108784
 H      3.405591     -0.169211      0.806680    0.00   0.000161303   0.000122360  -0.000147637
 H      3.843348     -0.445856     -0.882270    0.00  -0.000028049  -0.000000131  -0.000158205
 H      1.692185     -1.719539     -1.254227    0.00   0.000060776  -0.000156012   0.000185809
 H      2.685204     -2.463908      0.009961    0.00   0.000156162   0.000048932   0.000210306
 H      1.400393      1.413334      1.349687    0.00  -0.000028571  -0.000032907  -0.000080807
 H      1.276255     -1.415974      1.806422    0.00   0.000219554   0.000271927   0.000114327
 H      0.247159     -2.292499      0.666702    0.00   0.000237804  -0.000015023   0.000386132
 H      1.801127      0.798741     -1.658519    0.00  -0.000042281  -0.000078199  -0.000070061
 O     -0.704132      0.196222      1.605330    0.00  -0.001232820  -0.001255341  -0.001382616
 C      0.149252      2.363882     -0.130110    0.00  -0.001237387  -0.001501472  -0.000881305
 H     -0.636310      2.583969      0.606823    0.00  -0.000150698  -0.000213972  -0.000105828
 H      0.758223      3.266430     -0.246358    0.00  -0.000173420  -0.000079625  -0.000017875
 H     -0.345243      2.163283     -1.088503    0.00  -0.000041790  -0.000136338  -0.000101312
 H     -1.508185     -0.399612      1.626271    0.00   0.000023783  -0.000192477  -0.000044494
 O     -0.611011     -0.720425     -0.546094    0.00  -0.000248687  -0.000545667  -0.000895833
 O     -1.570815      0.017776     -1.283969    0.00   0.001008607   0.004179590   0.002433423
 C     -2.811401     -0.079198     -0.687042    0.00   0.000205896   0.003080688   0.001132763
 H     -3.547810      0.267735     -1.418330    0.00   0.000199971   0.000650314   0.000225684
 O     -2.981679     -0.453720      0.448953    0.00  -0.001897580  -0.002210514  -0.001518088
26
 Energy =      -0.202204629994
 C      2.087354     -1.561324     -0.237132    0.00   0.001281230  -0.000156894   0.001699385
 C      2.976412     -0.313656     -0.201450    0.00   0.000756405   0.000317529  -0.000918999
 C      2.175557      0.925455     -0.618754    0.00  -0.000304558  -0.000370159  -0.000971007
 C      0.994386      1.179977      0.331081    0.00  -0.000432554  -0.000994323  -0.000904795
 C      0.144308     -0.090236      0.521878    0.00   0.000197611  -0.001403375  -0.000368388
 C      0.925669     -1.423262      0.745966    0.00   0.001852834   0.000554197   0.002377417
 H      2.832933      1.815086     -0.635520    0.00  -0.000083846   0.000009779  -0.000093786
 H      3.397412     -0.175030      0.813081    0.00   0.000183163   0.000126887  -0.000156878
 H      3.844260     -0.445837     -0.874403    0.00  -0.000025964  -0.000002518  -0.000172942
 H      1.689814     -1.712265     -1.262531    0.00   0.000051404  -0.000155242   0.000198879
 H      2.677787     -2.465874      0.000084    0.00   0.000162666   0.000048858   0.000214610
 H      1.401781      1.415183      1.353483    0.00  -0.000033174  -0.000047841  -0.000086244
 H      1.264635     -1.429351      1.799238    0.00   0.000256678   0.000316614   0.000128339
 H      0.236313     -2.290859      0.647855    0.00   0.000267861  -0.000017591   0.000446153
 H      1.802676      0.802058     -1.655115    0.00  -0.000022995  -0.000065845  -0.000076887
 O     -0.700488      0.199936      1.609563    0.00  -0.001280973  -0.001326456  -0.001558883
 C      0.154132      2.369910     -0.126701    0.00  -0.001294615  -0.001620118  -0.000881127
 H     -0.629065      2.594165      0.611465    0.00  -0.000156519  -0.000233310  -0.000102822
 H      0.766221      3.270023     -0.245699    0.00  -0.000181463  -0.000085922  -0.000009733
 H     -0.343149      2.169745     -1.083726    0.00  -0.000046983  -0.000141025  -0.000102743
 H     -1.509143     -0.390330      1.628359    0.00   0.000024731  -0.000203198  -0.000049470
 O     -0.610126     -0.718604     -0.543340    0.00  -0.000388836  -0.000690897  -0.001017058
 O     -1.573781      0.005141     -1.291124    0.00   0.000990259   0.004538890   0.002556915
 C     -2.812205     -0.091611     -0.690804    0.00   0.000124721   0.003259286   0.001126012
 H     -3.554422      0.235670     -1.425030    0.00   0.000192937   0.000686602   0.000211109
 O     -2.975844     -0.446901      0.452599    0.00  -0.002090021  -0.002343929  -0.001487054
26
 Energy =      -0.201540551784
 C      2.082675     -1.560816     -0.243445    0.00   0.001327522  -0.000115160   0.001823084
 C      2.973488     -0.314865     -0.198038    0.00   0.000878268   0.000344338  -0.000974206
 C      2.176457      0.926705     -0.615229    0.00  -0.000187395  -0.000326109  -0.000989649
 C      0.995971      1.183795      0.334547    0.00  -0.000448927  -0.001137380  -0.001036197
 C      0.143605     -0.084949      0.523477    0.00   0.000191511  -0.001572673  -0.000509431
 C      0.918643     -1.425454      0.736956    0.00   0.002063478   0.000642627   0.002699260
 H      2.836321      1.814450     -0.631891    0.00  -0.000077354   0.000016762  -0.000075368
 H      3.388861     -0.180652      0.819425    0.00   0.000205865   0.000132110  -0.000165482
 H      3.844999     -0.445695     -0.866459    0.00  -0.000023310  -0.000005808  -0.000187202
 H      1.688066     -1.705605     -1.270877    0.00   0.000038395  -0.000151032   0.000213735
 H      2.670658     -2.467757     -0.009241    0.00   0.000167725   0.000049391   0.000217089
 H      1.403292      1.417625      1.357277    0.00  -0.000038555  -0.000066633  -0.000092585
 H      1.252043     -1.443806      1.791627    0.00   0.000298365   0.000367271   0.000145546
 H      0.225012     -2.289068      0.627609    0.00   0.000299894  -0.000021408   0.000514759
 H      1.803185      0.804563     -1.651649    0.00   0.000001105  -0.000050657  -0.000084587
 O     -0.697016      0.203597      1.613980    0.00  -0.001289155  -0.001406271  -0.001736301
 C      0.158869      2.375948     -0.123559    0.00  -0.001345838  -0.001739870  -0.000863168
 H     -0.622108      2.604507      0.615594    0.00  -0.000160900  -0.000253870  -0.000096848
 H      0.773985      3.273638     -0.245492    0.00  -0.000188328  -0.000092437   0.000001474
 H     -0.340979      2.175892     -1.079263    0.00  -0.000052727  -0.000143033  -0.000102590
 H     -1.510123     -0.381277      1.630480    0.00   0.000027515  -0.000213005  -0.000052410
 O     -0.608871     -0.716490     -0.540415    0.00  -0.000568597  -0.000859655  -0.001165526
 O     -1.576462     -0.007625     -1.298095    0.00   0.000951383   0.004930523   0.002664577
 C     -2.812603     -0.103746     -0.694303    0.00   0.000021814   0.003418771   0.001105806
 H     -3.560393      0.204592     -1.430838    0.00   0.000182122   0.000716466   0.000193477
 O     -2.969915     -0.440242      0.455949    0.00  -0.002273876  -0.002463258  -0.001447259
26
 Energy =      -0.200827359375
 C      2.078186     -1.560518     -0.249762    0.00   0.001355500  -0.000051510   0.001965154
 C      2.970348     -0.316092     -0.194691    0.00   0.001006788   0.000380450  -0.001020606
 C      2.176865      0.927701     -0.611882    0.00  -0.000047971  -0.000267501  -0.001010804
 C      0.997507      1.187864      0.338252    0.00  -0.000467776  -0.001302306  -0.001191788
 C      0.142981     -0.079429      0.525494    0.00   0.000179936  -0.001766307  -0.000684837
 C      0.911385     -1.427811      0.727424    0.00   0.002281510   0.000737552   0.003072378
 H      2.839184      1.813550     -0.629312    0.00  -0.000069565   0.000025070  -0.000053571
 H      3.379988     -0.186115      0.825669    0.00   0.000229564   0.000138505  -0.000173412
 H      3.845570     -0.445407     -0.858501    0.00  -0.000020338  -0.000010209  -0.000200954
 H      1.687032     -1.699661     -1.279301    0.00   0.000020714  -0.000142289   0.000230930
 H      2.663872     -2.469587     -0.017969    0.00   0.000170814   0.000050931   0.000217402
 H      1.404936      1.420734      1.361086    0.00  -0.000044886  -0.000089903  -0.000099861
 H      1.238471     -1.459364      1.783502    0.00   0.000344845   0.000423848   0.000167289
 H      0.213307     -2.287093      0.605889    0.00   0.000333273  -0.000026929   0.000592539
 H      1.802596      0.806239     -1.648092    0.00   0.000030270  -0.000032535  -0.000093333
 O     -0.693827      0.207221      1.618536    0.00  -0.001243031  -0.001497623  -0.001911682
 C      0.163439      2.381973     -0.120726    0.00  -0.001389519  -0.001861823  -0.000825852
 H     -0.615496      2.614981      0.619135    0.00  -0.000163475  -0.000275599  -0.000087548
 H      0.781461      3.277269     -0.245801    0.00  -0.000193727  -0.000099358   0.000015704
 H     -0.338727      2.181633     -1.075158    0.00  -0.000059136  -0.000142302  -0.000100577
 H     -1.511222     -0.372488      1.632509    0.00   0.000033830  -0.000222510  -0.000051626
 O     -0.607194     -0.714066     -0.537276    0.00  -0.000795419  -0.001056175  -0.001350159
 O     -1.578830     -0.020537     -1.304833    0.00   0.000890250   0.005360905   0.002752058
 C     -2.812569     -0.115518     -0.697521    0.00  -0.000105273   0.003554015   0.001071584
 H     -3.565662      0.174782     -1.435764    0.00   0.000167477   0.000738378   0.000173003
 O     -2.963957     -0.433792      0.459016    0.00  -0.002444655  -0.002564777  -0.001401429
26
 Energy =      -0.200060994765
 C      2.073954     -1.560482     -0.256113    0.00   0.001357955   0.000042614   0.002131742
 C      2.967019     -0.317364     -0.191448    0.00   0.001142045   0.000429611  -0.001056379
 C      2.176777      0.928423     -0.608697    0.00   0.000113628  -0.000192439  -0.001035283
 C      0.999001      1.192200      0.342219    0.00  -0.000489065  -0.001491675  -0.001371266
 C      0.142442     -0.073652      0.527975    0.00   0.000165057  -0.001988857  -0.000899215
 C      0.903949     -1.430319      0.717316    0.00   0.002501808   0.000840536   0.003506031
 H      2.841522      1.812360     -0.627775    0.00  -0.000060626   0.000035078  -0.000028775
 H      3.370840     -0.191465      0.831767    0.00   0.000254673   0.000146601  -0.000180751
 H      3.845985     -0.444949     -0.850591    0.00  -0.000017409  -0.000015938  -0.000214376
 H      1.686821     -1.694561     -1.287841    0.00  -0.000002962  -0.000127564   0.000251144
 H      2.657500     -2.471404     -0.026049    0.00   0.000171145   0.000053977   0.000215164
 H      1.406726      1.424580      1.364916    0.00  -0.000052334  -0.000118214  -0.000107915
 H      1.223945     -1.475992      1.774768    0.00   0.000396083   0.000485433   0.000195456
 H      0.201280     -2.284912      0.582673    0.00   0.000366785  -0.000034416   0.000679302
 H      1.800878      0.807084     -1.644424    0.00   0.000064324  -0.000011682  -0.000103209
 O     -0.691045      0.210823      1.623180    0.00  -0.001125329  -0.001602793  -0.002082382
 C      0.167813      2.387966     -0.118236    0.00  -0.001423379  -0.001987615  -0.000767853
 H     -0.609292      2.625553      0.622021    0.00  -0.000163894  -0.000298372  -0.000074712
 H      0.788588      3.280915     -0.246663    0.00  -0.000197322  -0.000106915   0.000032781
 H     -0.336390      2.186893     -1.071455    0.00  -0.000066172  -0.000139021  -0.000096482
 H     -1.512588     -0.363955      1.634265    0.00   0.000046426  -0.000233316  -0.000044572
 O     -0.605039     -0.711315     -0.533870    0.00  -0.001079123  -0.001286401  -0.001583025
 O     -1.580861     -0.033607     -1.311280    0.00   0.000806553   0.005835951   0.002814479
 C     -2.812082     -0.126828     -0.700439    0.00  -0.000259146   0.003658924   0.001023219
 H     -3.570181      0.146548     -1.439824    0.00   0.000149226   0.000750692   0.000149908
 O     -2.958039     -0.427600      0.461815    0.00  -0.002598947  -0.002644200  -0.001353030
26
 Energy =      -0.199236082493
 C      2.070059     -1.560779     -0.262535    0.00   0.001325752   0.000178497   0.002329629
 C      2.963526     -0.318710     -0.188348    0.00   0.001284877   0.000495409  -0.001080254
 C      2.176199      0.928856     -0.605664    0.00   0.000294913  -0.000100632  -0.001062565
 C      1.000456      1.196813      0.346451    0.00  -0.000512399  -0.001707321  -0.001570638
 C      0.141980     -0.067597      0.530959    0.00   0.000153911  -0.002245843  -0.001154949
 C      0.896413     -1.432975      0.706585    0.00   0.002717981   0.000959908   0.004010160
 H      2.843350      1.810856     -0.627240    0.00  -0.000050897   0.000047112  -0.000001776
 H      3.361453     -0.196750      0.837682    0.00   0.000281821   0.000156875  -0.000187646
 H      3.846271     -0.444299     -0.842778    0.00  -0.000014922  -0.000023173  -0.000227889
 H      1.687558     -1.690459     -1.296536    0.00  -0.000034343  -0.000105094   0.000275175
 H      2.651636     -2.473252     -0.033422    0.00   0.000167451   0.000059065   0.000210042
 H      1.408668      1.429218      1.368755    0.00  -0.000061072  -0.000151905  -0.000116284
 H      1.208546     -1.493561      1.765331    0.00   0.000451577   0.000549274   0.000232720
 H      0.189065     -2.282533      0.558032    0.00   0.000398221  -0.000043290   0.000773158
 H      1.798043      0.807122     -1.640635    0.00   0.000102413   0.000011255  -0.000114092
 O     -0.688811      0.214413      1.627858    0.00  -0.000915256  -0.001722701  -0.002246895
 C      0.171957      2.393905     -0.116122    0.00  -0.001444314  -0.002119697  -0.000688202
 H     -0.603558      2.636174      0.624200    0.00  -0.000161895  -0.000321937  -0.000058371
 H      0.795301      3.284578     -0.248092    0.00  -0.000198664  -0.000115448   0.000052386
 H     -0.333974      2.191624     -1.068194    0.00  -0.000073582  -0.000133692  -0.000090178
 H     -1.514445     -0.355595      1.635498    0.00   0.000069584  -0.000248653  -0.000027591
 O     -0.602346     -0.708218     -0.530133    0.00  -0.001435149  -0.001558846  -0.001882519
 O     -1.582542     -0.046827     -1.317374    0.00   0.000703793   0.006359735   0.002846649
 C     -2.811124     -0.137568     -0.703042    0.00  -0.000442059   0.003726087   0.000961536
 H     -3.573923      0.120207     -1.443033    0.00   0.000128102   0.000751676   0.000124290
 O     -2.952232     -0.421726      0.464367    0.00  -0.002735843  -0.002696660  -0.001305896
26
 Energy =      -0.198345599404
 C      2.066591     -1.561488     -0.269060    0.00   0.001247491   0.000369858   0.002564652
 C      2.959898     -0.320155     -0.185430    0.00   0.001436217   0.000579655  -0.001092186
 C      2.175160      0.928993     -0.602782    0.00   0.000488935   0.000005007  -0.001089578
 C      1.001871      1.201698      0.350919    0.00  -0.000538422  -0.001950827  -0.001780838
 C      0.141555     -0.061244      0.534458    0.00   0.000165104  -0.002546303  -0.001446926
 C      0.888870     -1.435808      0.695196    0.00   0.002924342   0.001122117   0.004596143
 H      2.844709      1.809024     -0.627623    0.00  -0.000041113   0.000061284   0.000026361
 H      3.351862     -0.202011      0.843379    0.00   0.000311442   0.000169489  -0.000194101
 H      3.846461     -0.443439     -0.835098    0.00  -0.000013068  -0.000031934  -0.000241932
 H      1.689387     -1.687520     -1.305420    0.00  -0.000075628  -0.000073126   0.000303885
 H      2.646408     -2.475177     -0.040037    0.00   0.000157577   0.000066599   0.000202097
 H      1.410770      1.434670      1.372564    0.00  -0.000071351  -0.000190835  -0.000124111
 H      1.192433     -1.511782      1.755112    0.00   0.000510043   0.000608727   0.000282607
 H      0.176866     -2.280058      0.532195    0.00   0.000423646  -0.000050471   0.000868813
 H      1.794167      0.806415     -1.636742    0.00   0.000142747   0.000035131  -0.000125526
 O     -0.687276      0.217992      1.632515    0.00  -0.000587854  -0.001855498  -0.002405553
 C      0.175830      2.399770     -0.114405    0.00  -0.001448458  -0.002261720  -0.000586337
 H     -0.598357      2.646769      0.625649    0.00  -0.000157320  -0.000345748  -0.000038878
 H      0.801522      3.288269     -0.250071    0.00  -0.000196948  -0.000125583   0.000074115
 H     -0.331504      2.195810     -1.065407    0.00  -0.000080830  -0.000127070  -0.000081698
 H     -1.517115     -0.347211      1.635879    0.00   0.000109629  -0.000274030   0.000004295
 O     -0.599041     -0.704753     -0.525978    0.00  -0.001893083  -0.001884494  -0.002281274
 O     -1.583881     -0.060171     -1.323051    0.00   0.000594970   0.006930925   0.002843834
 C     -2.809690     -0.147620     -0.705324    0.00  -0.000654907   0.003746020   0.000889618
 H     -3.576899      0.096079     -1.445400    0.00   0.000105864   0.000739588   0.000095811
 O     -2.946599     -0.416227      0.466695    0.00  -0.002859024  -0.002716763  -0.001263293
26
 Energy =      -0.197380425533
 C      2.063653     -1.562696     -0.275707    0.00   0.001109365   0.000630606   0.002837837
 C      2.956170     -0.321716     -0.182723    0.00   0.001594850   0.000679495  -0.001094191
 C      2.173720      0.928852     -0.600065    0.00   0.000681412   0.000116839  -0.001109159
 C      1.003250      1.206842      0.355557    0.00  -0.000572699  -0.002226025  -0.001986981
 C      0.141060     -0.054559      0.538431    0.00   0.000242451  -0.002911426  -0.001751674
 C      0.881424     -1.438938      0.683121    0.00   0.003119802   0.001393271   0.005279261
 H      2.845669      1.806870     -0.628807    0.00  -0.000032574   0.000077273   0.000054756
 H      3.342122     -0.207261      0.848820    0.00   0.000342700   0.000183804  -0.000199565
 H      3.846582     -0.442368     -0.827591    0.00  -0.000011412  -0.000041835  -0.000256316
 H      1.692462     -1.685897     -1.314515    0.00  -0.000129495  -0.000030907   0.000337923
 H      2.641995     -2.477215     -0.045871    0.00   0.000137864   0.000076494   0.000192581
 H      1.413040      1.440906      1.376277    0.00  -0.000083816  -0.000234035  -0.000130116
 H      1.175865     -1.530084      1.744072    0.00   0.000569068   0.000649722   0.000348470
 H      0.164992     -2.277780      0.505659    0.00   0.000436315  -0.000046884   0.000954997
 H      1.789414      0.805072     -1.632795    0.00   0.000182451   0.000058412  -0.000136573
 O     -0.686598      0.221543      1.637100    0.00  -0.000113887  -0.001994110  -0.002560607
 C      0.179388      2.405547     -0.113101    0.00  -0.001431323  -0.002418378  -0.000462222
 H     -0.593740      2.657235      0.626380    0.00  -0.000150045  -0.000368647  -0.000016965
 H      0.807157      3.292014     -0.252561    0.00  -0.000190485  -0.000138560   0.000097669
 H     -0.329025      2.199462     -1.063112    0.00  -0.000087053  -0.000119807  -0.000071314
 H     -1.521032     -0.338459      1.635004    0.00   0.000174964  -0.000317487   0.000057172
 O     -0.595005     -0.700902     -0.521272    0.00  -0.002516118  -0.002270619  -0.002842432
 O     -1.584931     -0.073568     -1.328250    0.00   0.000515147   0.007532834   0.002805215
 C     -2.807793     -0.156859     -0.707296    0.00  -0.000895044   0.003705954   0.000815227
 H     -3.579198      0.074462     -1.446907    0.00   0.000086515   0.000712968   0.000062988
 O     -2.941183     -0.411166      0.468820    0.00  -0.002978953  -0.002698955  -0.001225982
26
 Energy =      -0.196328256985
 C      2.061352     -1.564478     -0.282455    0.00   0.000896747   0.000967739   0.003137883
 C      2.952390     -0.323380     -0.180244    0.00   0.001753142   0.000783838  -0.001090546
 C      2.171987      0.928476     -0.597548    0.00   0.000848635   0.000222627  -0.001108906
 C      1.004618      1.212221      0.360252    0.00  -0.000632144  -0.002542988  -0.002168744
 C      0.140269     -0.047456      0.542733    0.00   0.000475932  -0.003396878  -0.002012292
 C      0.874173     -1.442664      0.670354    0.00   0.003310772   0.001908305   0.006082349
 H      2.846344      1.804439     -0.630656    0.00  -0.000027210   0.000094149   0.000083120
 H      3.332375     -0.212461      0.853946    0.00   0.000371791   0.000197726  -0.000202365
 H      3.846640     -0.441114     -0.820337    0.00  -0.000008424  -0.000051711  -0.000269119
 H      1.696927     -1.685662     -1.323811    0.00  -0.000198376   0.000019454   0.000376930
 H      2.638648     -2.479370     -0.050970    0.00   0.000102608   0.000087640   0.000185061
 H      1.415498      1.447820      1.379795    0.00  -0.000100261  -0.000279514  -0.000132656
 H      1.159211     -1.547445      1.732276    0.00   0.000625040   0.000646648   0.000429015
 H      0.153911     -2.276356      0.479310    0.00   0.000425696  -0.000011967   0.001012177
 H      1.784039      0.803242     -1.628886    0.00   0.000217553   0.000079414  -0.000145722
 O     -0.686927      0.225025      1.641562    0.00   0.000536164  -0.002121927  -0.002713905
 C      0.182584      2.411215     -0.112209    0.00  -0.001388232  -0.002592000  -0.000317245
 H     -0.589753      2.667415      0.626449    0.00  -0.000139786  -0.000388348   0.000006218
 H      0.812068      3.295865     -0.255503    0.00  -0.000176226  -0.000156316   0.000123045
 H     -0.326610      2.202603     -1.061304    0.00  -0.000091093  -0.000111697  -0.000059664
 H     -1.526713     -0.328862      1.632432    0.00   0.000274303  -0.000388495   0.000137410
 O     -0.590023     -0.696681     -0.515793    0.00  -0.003435146  -0.002697147  -0.003683766
 O     -1.585834     -0.086862     -1.332932    0.00   0.000545438   0.008110143   0.002745323
 C     -2.805476     -0.165147     -0.708996    0.00  -0.001152878   0.003588399   0.000754983
 H     -3.581041      0.055607     -1.447473    0.00   0.000078681   0.000671378   0.000021773
 O     -2.936009     -0.406603      0.470754    0.00  -0.003112727  -0.002638469  -0.001190360
26
 Energy =      -0.195169974182
 C      2.059783     -1.566853     -0.289202    0.00   0.000602558   0.001365406   0.003430099
 C      2.948647     -0.325093     -0.178004    0.00   0.001892014   0.000871334  -0.001085374
 C      2.170120      0.927935     -0.595296    0.00   0.000960340   0.000309695  -0.001073130
 C      1.006031      1.217804      0.364842    0.00  -0.000747867  -0.002915580  -0.002301386
 C      0.138777     -0.039731      0.547068    0.00   0.001015052  -0.004132805  -0.002136759
 C      0.867216     -1.447536      0.656934    0.00   0.003502618   0.002880927   0.007032064
 H      2.846881      1.801822     -0.633023    0.00  -0.000026778   0.000110242   0.000111085
 H      3.322930     -0.217475      0.858647    0.00   0.000390662   0.000207353  -0.000199582
 H      3.846602     -0.439757     -0.813516    0.00  -0.000001698  -0.000059271  -0.000275718
 H      1.702838     -1.686709     -1.333210    0.00  -0.000281903   0.000070850   0.000417909
 H      2.636698     -2.481590     -0.055482    0.00   0.000045265   0.000097442   0.000185461
 H      1.418206      1.455201      1.382990    0.00  -0.000124451  -0.000324271  -0.000129942
 H      1.142932     -1.562241      1.720008    0.00   0.000674512   0.000562563   0.000509374
 H      0.144316     -2.276964      0.454543    0.00   0.000378286   0.000090039   0.001014434
 H      1.778403      0.801114     -1.625156    0.00   0.000243180   0.000096395  -0.000150932
 O     -0.688370      0.228350      1.645838    0.00   0.001372511  -0.002206474  -0.002855256
 C      0.185369      2.416722     -0.111713    0.00  -0.001315475  -0.002770180  -0.000157379
 H     -0.586440      2.677069      0.625961    0.00  -0.000126036  -0.000401035   0.000029041
 H      0.816062      3.299878     -0.258815    0.00  -0.000150626  -0.000180117   0.000150029
 H     -0.324361      2.205230     -1.059955    0.00  -0.000091667  -0.000101158  -0.000047901
 H     -1.534643     -0.317952      1.627777    0.00   0.000410687  -0.000493507   0.000249890
 O     -0.583717     -0.692229     -0.509203    0.00  -0.004877173  -0.003063328  -0.004986325
 O     -1.586880     -0.099721     -1.337109    0.00   0.000841795   0.008529569   0.002717267
 C     -2.802835     -0.172324     -0.710504    0.00  -0.001407907   0.003372125   0.000739678
 H     -3.582879      0.039688     -1.446902    0.00   0.000098209   0.000617091  -0.000036037
 O     -2.931089     -0.402596      0.472497    0.00  -0.003276108  -0.002533305  -0.001150612
26
 Energy =      -0.193870754624
 C      2.058981     -1.569707     -0.295700    0.00   0.000248952   0.001762441   0.003648926
 C      2.945093     -0.326745     -0.176022    0.00   0.001979770   0.000915265  -0.001076564
 C      2.168319      0.927316     -0.593393    0.00   0.000992674   0.000372126  -0.000991481
 C      1.007574      1.223498      0.369112    0.00  -0.000947006  -0.003331411  -0.002357407
 C      0.136038     -0.031020      0.551003    0.00   0.002021317  -0.005336825  -0.002049759
 C      0.860705     -1.454266      0.643075    0.00   0.003669260   0.004516941   0.008120297
 H      2.847413      1.799183     -0.635719    0.00  -0.000030917   0.000122770   0.000135997
 H      3.314321     -0.222059      0.862750    0.00   0.000388930   0.000207960  -0.000188506
 H      3.846410     -0.438434     -0.807442    0.00   0.000010060  -0.000061439  -0.000269856
 H      1.710001     -1.688676     -1.342440    0.00  -0.000371733   0.000111762   0.000453606
 H      2.636429     -2.483737     -0.059616    0.00  -0.000034897   0.000102270   0.000197621
 H      1.421249      1.462701      1.385718    0.00  -0.000160120  -0.000363876  -0.000120812
 H      1.127490     -1.572380      1.707874    0.00   0.000718997   0.000363489   0.000560828
 H      0.137099     -2.281149      0.433154    0.00   0.000283069   0.000297991   0.000940926
 H      1.772957      0.798905     -1.621798    0.00   0.000254588   0.000107379  -0.000149938
 O     -0.690894      0.231370      1.649800    0.00   0.002333256  -0.002197202  -0.002933858
 C      0.187692      2.421927     -0.111564    0.00  -0.001212587  -0.002906259   0.000000859
 H     -0.583846      2.685843      0.625069    0.00  -0.000108525  -0.000402041   0.000049396
 H      0.818954      3.304028     -0.262356    0.00  -0.000113511  -0.000206662   0.000176309
 H     -0.322398      2.207294     -1.059010    0.00  -0.000087682  -0.000086101  -0.000037470
 H     -1.544980     -0.305615      1.620869    0.00   0.000572463  -0.000625335   0.000394501
 O     -0.575603     -0.687948     -0.501132    0.00  -0.007096308  -0.003135335  -0.006911704
 O     -1.588527     -0.111518     -1.340883    0.00   0.001615610   0.008560267   0.002825925
 C     -2.800040     -0.178215     -0.711947    0.00  -0.001626844   0.003041745   0.000814283
 H     -3.585402      0.026750     -1.444888    0.00   0.000164443   0.000557162  -0.000121051
 O     -2.926465     -0.399203      0.474037    0.00  -0.003463258  -0.002387082  -0.001111067
26
 Energy =      -0.192373911841
 C      2.058850     -1.572745     -0.301576    0.00  -0.000095728   0.002055816   0.003717078
 C      2.941928     -0.328202     -0.174326    0.00   0.001984236   0.000899241  -0.001052599
 C      2.166767      0.926697     -0.591901    0.00   0.000946430   0.000412565  -0.000870716
 C      1.009283      1.229072      0.372832    0.00  -0.001209757  -0.003703458  -0.002315656
 C      0.131657     -0.020983      0.554163    0.00   0.003495665  -0.007135346  -0.001789134
 C      0.854879     -1.463261      0.629280    0.00   0.003741738   0.006751358   0.009221656
 H      2.847991      1.796740     -0.638461    0.00  -0.000036179   0.000128052   0.000152461
 H      3.307143     -0.225934      0.866077    0.00   0.000361157   0.000197095  -0.000169175
 H      3.846035     -0.437311     -0.802456    0.00   0.000024490  -0.000056404  -0.000248483
 H      1.717804     -1.690991     -1.351033    0.00  -0.000448888   0.000132977   0.000474298
 H      2.637799     -2.485630     -0.063485    0.00  -0.000122959   0.000099789   0.000215582
 H      1.424634      1.469851      1.387865    0.00  -0.000204013  -0.000391598  -0.000106158
 H      1.113194     -1.576246      1.696647    0.00   0.000768251   0.000052371   0.000570910
 H      0.132996     -2.289961      0.416676    0.00   0.000142225   0.000610811   0.000795015
 H      1.768153      0.796848     -1.619001    0.00   0.000249967   0.000110639  -0.000141271
 O     -0.694199      0.233905      1.653236    0.00   0.003235993  -0.002049835  -0.002847410
 C      0.189525      2.426575     -0.111665    0.00  -0.001084825  -0.002925994   0.000130456
 H     -0.581974      2.693351      0.623965    0.00  -0.000088116  -0.000388567   0.000065168
 H      0.820718      3.308095     -0.265879    0.00  -0.000072035  -0.000226136   0.000196221
 H     -0.320833      2.208751     -1.058393    0.00  -0.000078595  -0.000066486  -0.000029098
 H     -1.557226     -0.292501      1.611957    0.00   0.000733822  -0.000751453   0.000561084
 O     -0.565413     -0.684491     -0.491485    0.00  -0.010088734  -0.002636958  -0.009368728
 O     -1.591239     -0.121435     -1.344434    0.00   0.002966114   0.007979914   0.003159660
 C     -2.797326     -0.182709     -0.713464    0.00  -0.001772873   0.002609586   0.001014247
 H     -3.589265      0.016607     -1.441216    0.00   0.000281511   0.000502527  -0.000235643
 O     -2.922239     -0.396459      0.475376    0.00  -0.003628899  -0.002210506  -0.001099764
26
 Energy =      -0.190624650714
 C      2.059156     -1.575623     -0.306560    0.00  -0.000354634   0.002166808   0.003597518
 C      2.939280     -0.329387     -0.172928    0.00   0.001895596   0.000830355  -0.001001264
 C      2.165542      0.926125     -0.590805    0.00   0.000847796   0.000434241  -0.000732259
 C      1.011101      1.234230      0.375888    0.00  -0.001462292  -0.003901293  -0.002176740
 C      0.125734     -0.009634      0.556491    0.00   0.005142158  -0.009252155  -0.001497956
 C      0.849904     -1.474155      0.616137    0.00   0.003677977   0.009071693   0.010095939
 H      2.848572      1.794660     -0.640979    0.00  -0.000038679   0.000124207   0.000156809
 H      3.301654     -0.228982      0.868596    0.00   0.000312886   0.000176890  -0.000144702
 H      3.845522     -0.436480     -0.798666    0.00   0.000036967  -0.000045773  -0.000215555
 H      1.725459     -1.693163     -1.358590    0.00  -0.000494028   0.000134842   0.000473487
 H      2.640286     -2.487163     -0.067030    0.00  -0.000193952   0.000091255   0.000226048
 H      1.428211      1.476264      1.389444    0.00  -0.000243969  -0.000401016  -0.000088942
 H      1.100024     -1.573923      1.686735    0.00   0.000825827  -0.000309626   0.000559632
 H      0.132024     -2.303016      0.405356    0.00  -0.000022198   0.000959630   0.000608697
 H      1.764226      0.795098     -1.616836    0.00   0.000232340   0.000106169  -0.000125816
 O     -0.697798      0.235859      1.655957    0.00   0.003866238  -0.001770960  -0.002517996
 C      0.190907      2.430466     -0.111895    0.00  -0.000941499  -0.002786357   0.000211183
 H     -0.580729      2.699446      0.622820    0.00  -0.000066903  -0.000362149   0.000075282
 H      0.821596      3.311774     -0.269123    0.00  -0.000036478  -0.000229302   0.000204235
 H     -0.319697      2.209655     -1.058016    0.00  -0.000065157  -0.000045335  -0.000022227
 H     -1.570423     -0.279768      1.601621    0.00   0.000869356  -0.000828164   0.000729847
 O     -0.553429     -0.682391     -0.480640    0.00  -0.013347757  -0.001520771  -0.011881547
 O     -1.595167     -0.128983     -1.347920    0.00   0.004675028   0.006788648   0.003657962
 C     -2.794878     -0.185910     -0.715147    0.00  -0.001828969   0.002124155   0.001319023
 H     -3.594634      0.008716     -1.436040    0.00   0.000423434   0.000460566  -0.000363030
 O     -2.918501     -0.394308      0.476560    0.00  -0.003709085  -0.002016557  -0.001147628
26
 Energy =      -0.188621344054
 C      2.059664     -1.578153     -0.310655    0.00  -0.000498101   0.002092161   0.003310224
 C      2.937125     -0.330315     -0.171789    0.00   0.001728884   0.000728891  -0.000919006
 C      2.164608      0.925611     -0.590014    0.00   0.000725599   0.000435968  -0.000594791
 C      1.012941      1.238815      0.378340    0.00  -0.001631295  -0.003850802  -0.001960137
 C      0.118721      0.002690      0.558223    0.00   0.006536667  -0.011106133  -0.001290153
 C      0.845707     -1.486139      0.603909    0.00   0.003501795   0.010824355   0.010523059
 H      2.849098      1.792973     -0.643155    0.00  -0.000037160   0.000112641   0.000149895
 H      3.297640     -0.231309      0.870448    0.00   0.000255280   0.000151673  -0.000118684
 H      3.844948     -0.435923     -0.795881    0.00   0.000044441  -0.000033155  -0.000178021
 H      1.732481     -1.694996     -1.365048    0.00  -0.000500028   0.000124144   0.000450460
 H      2.643247     -2.488359     -0.070165    0.00  -0.000232500   0.000079811   0.000220769
 H      1.431791      1.481842      1.390580    0.00  -0.000268319  -0.000390057  -0.000071842
 H      1.087696     -1.566898      1.677957    0.00   0.000875558  -0.000637415   0.000545767
 H      0.133547     -2.318995      0.398205    0.00  -0.000178715   0.001253838   0.000419701
 H      1.761108      0.793677     -1.615217    0.00   0.000206748   0.000095855  -0.000106262
 O     -0.701314      0.237285      1.657929    0.00   0.004126617  -0.001414817  -0.001967668
 C      0.191935      2.433605     -0.112161    0.00  -0.000790814  -0.002506548   0.000243034
 H     -0.579945      2.704322      0.621724    0.00  -0.000047036  -0.000326660   0.000079746
 H      0.821938      3.314910     -0.271973    0.00  -0.000012080  -0.000214876   0.000198989
 H     -0.318927      2.210149     -1.057802    0.00  -0.000049465  -0.000026234  -0.000015956
 H     -1.583878     -0.268258      1.590340    0.00   0.000962818  -0.000832505   0.000879061
 O     -0.540222     -0.681754     -0.469136    0.00  -0.016113430  -0.000037782  -0.013846186
 O     -1.600127     -0.134304     -1.351414    0.00   0.006306574   0.005218662   0.004126232
 C     -2.792734     -0.188114     -0.717024    0.00  -0.001802741   0.001640822   0.001650776
 H     -3.601204      0.002340     -1.429762    0.00   0.000550940   0.000429687  -0.000475765
 O     -2.915226     -0.392615      0.477676    0.00  -0.003660237  -0.001811525  -0.001253242
26
 Energy =      -0.186441332196
 C      2.060231     -1.580313     -0.314027    0.00  -0.000539558   0.001875262   0.002897423
 C      2.935361     -0.331046     -0.170848    0.00   0.001505711   0.000611788  -0.000808896
 C      2.163888      0.925150     -0.589434    0.00   0.000596890   0.000415202  -0.000466691
 C      1.014749      1.242832      0.380323    0.00  -0.001677169  -0.003555652  -0.001687872
 C      0.111055      0.015628      0.559644    0.00   0.007356514  -0.012175833  -0.001187739
 C      0.842077     -1.498528      0.592539    0.00   0.003247074   0.011578652   0.010372409
 H      2.849549      1.791618     -0.645007    0.00  -0.000032529   0.000096097   0.000134637
 H      3.294719     -0.233101      0.871820    0.00   0.000197275   0.000124761  -0.000093478
 H      3.844368     -0.435571     -0.793821    0.00   0.000046273  -0.000021456  -0.000140811
 H      1.738759     -1.696498     -1.370572    0.00  -0.000470118   0.000107055   0.000407773
 H      2.646259     -2.489306     -0.072878    0.00  -0.000237827   0.000067602   0.000199940
 H      1.435262      1.486697      1.391412    0.00  -0.000271831  -0.000360221  -0.000055975
 H      1.075895     -1.556797      1.669869    0.00   0.000891913  -0.000865671   0.000528340
 H      0.136850     -2.336690      0.393988    0.00  -0.000300941   0.001429664   0.000253314
 H      1.758605      0.792529     -1.614009    0.00   0.000176861   0.000082018  -0.000085185
 O     -0.704589      0.238301      1.659230    0.00   0.004035831  -0.001041344  -0.001291437
 C      0.192714      2.436126     -0.112417    0.00  -0.000638383  -0.002133943   0.000238011
 H     -0.579471      2.708298      0.620697    0.00  -0.000029988  -0.000285012   0.000078786
 H      0.822008      3.317516     -0.274445    0.00   0.000001621  -0.000187190   0.000182233
 H     -0.318435      2.210378     -1.057702    0.00  -0.000033917  -0.000011290  -0.000009901
 H     -1.597416     -0.258263      1.578271    0.00   0.001003271  -0.000767236   0.000988635
 O     -0.526248     -0.682419     -0.457344    0.00  -0.017746827   0.001456648  -0.014809557
 O     -1.605849     -0.137841     -1.354927    0.00   0.007456604   0.003554110   0.004370433
 C     -2.790839     -0.189626     -0.719096    0.00  -0.001706569   0.001196991   0.001916403
 H     -3.608580     -0.003149     -1.422738    0.00   0.000633694   0.000402331  -0.000550481
 O     -2.912320     -0.391235      0.478807    0.00  -0.003463874  -0.001593334  -0.001380316
26
 Energy =      -0.184226962171
 C      2.060793     -1.582155     -0.316852    0.00  -0.000505906   0.001565005   0.002397503
 C      2.933888     -0.331636     -0.170053    0.00   0.001243304   0.000488645  -0.000675755
 C      2.163319      0.924730     -0.588994    0.00   0.000468987   0.000370983  -0.000349864
 C      1.016504      1.246355      0.381962    0.00  -0.001587332  -0.003058474  -0.001377081
 C      0.103029      0.028923      0.560971    0.00   0.007429286  -0.012145705  -0.001147637
 C      0.838802     -1.510897      0.581863    0.00   0.002914982   0.011177471   0.009583191
 H      2.849926      1.790519     -0.646597    0.00  -0.000026202   0.000076973   0.000113645
 H      3.292562     -0.234520      0.872862    0.00   0.000143907   0.000097882  -0.000070224
 H      3.843810     -0.435359     -0.792256    0.00   0.000043076  -0.000012140  -0.000106235
 H      1.744358     -1.697739     -1.375372    0.00  -0.000411048   0.000087040   0.000348645
 H      2.649123     -2.490081     -0.075213    0.00  -0.000216424   0.000055299   0.000167665
 H      1.438588      1.490986      1.392040    0.00  -0.000253957  -0.000313968  -0.000041487
 H      1.064405     -1.544825      1.662072    0.00   0.000853053  -0.000959418   0.000493641
 H      0.141410     -2.355319      0.391762    0.00  -0.000371047   0.001455110   0.000122453
 H      1.756540      0.791587     -1.613094    0.00   0.000144485   0.000066445  -0.000064374
 O     -0.707597      0.239020      1.659955    0.00   0.003655903  -0.000692969  -0.000606041
 C      0.193317      2.438178     -0.112650    0.00  -0.000488705  -0.001712060   0.000209222
 H     -0.579200      2.711649      0.619733    0.00  -0.000016614  -0.000238356   0.000072487
 H      0.821958      3.319677     -0.276606    0.00   0.000007341  -0.000151596   0.000156406
 H     -0.318141      2.210440     -1.057689    0.00  -0.000020463  -0.000001196  -0.000004326
 H     -1.611179     -0.249794      1.565342    0.00   0.000978015  -0.000649328   0.001037791
 O     -0.511779     -0.684175     -0.445458    0.00  -0.017831618   0.002639137  -0.014515353
 O     -1.612118     -0.140023     -1.358446    0.00   0.007849816   0.002028414   0.004266001
 C     -2.789117     -0.190666     -0.721358    0.00  -0.001545359   0.000812982   0.002032104
 H     -3.616469     -0.008178     -1.415187    0.00   0.000654801   0.000369117  -0.000571735
 O     -2.909678     -0.390061      0.480018    0.00  -0.003112279  -0.001355294  -0.001470640
26
 Energy =      -0.182159702986
 C      2.061326     -1.583740     -0.319266    0.00  -0.000421141   0.001199546   0.001839534
 C      2.932627     -0.332124     -0.169365    0.00   0.000953460   0.000364088  -0.000524212
 C      2.162854      0.924345     -0.588651    0.00   0.000344497   0.000304461  -0.000244052
 C      1.018201      1.249465      0.383346    0.00  -0.001364278  -0.002411303  -0.001040597
 C      0.094824      0.042404      0.562347    0.00   0.006695469  -0.010878640  -0.001093562
 C      0.835715     -1.523005      0.571725    0.00   0.002472610   0.009653113   0.008138331
 H      2.850241      1.789613     -0.647984    0.00  -0.000019294   0.000056943   0.000088710
 H      3.290936     -0.235677      0.873678    0.00   0.000097443   0.000071734  -0.000049342
 H      3.843285     -0.435241     -0.791031    0.00   0.000035835  -0.000005633  -0.000075050
 H      1.749384     -1.698786     -1.379617    0.00  -0.000329545   0.000065676   0.000276058
 H      2.651771     -2.490738     -0.077233    0.00  -0.000176153   0.000042857   0.000128307
 H      1.441769      1.494848      1.392525    0.00  -0.000216216  -0.000253502  -0.000028253
 H      1.053109     -1.531795      1.654293    0.00   0.000745471  -0.000908879   0.000423935
 H      0.146899     -2.374415      0.390899    0.00  -0.000377473   0.001320277   0.000032615
 H      1.754783      0.790795     -1.612391    0.00   0.000110338   0.000050215  -0.000044952
 O     -0.710364      0.239525      1.660183    0.00   0.003052428  -0.000391511  -0.000026369
 C      0.193794      2.439880     -0.112857    0.00  -0.000346169  -0.001271959   0.000166811
 H     -0.579063      2.714569      0.618821    0.00  -0.000007259  -0.000186649   0.000060943
 H      0.821862      3.321482     -0.278518    0.00   0.000007975  -0.000112481   0.000123620
 H     -0.317990      2.210401     -1.057751    0.00  -0.000010356   0.000004175   0.000000030
 H     -1.625446     -0.242790      1.551356    0.00   0.000866876  -0.000502972   0.001001267
 O     -0.496970     -0.686848     -0.433575    0.00  -0.016137745   0.003246948  -0.012859141
 O     -1.618781     -0.141168     -1.361949    0.00   0.007331246   0.000812401   0.003759578
 C     -2.787505     -0.191377     -0.723804    0.00  -0.001316068   0.000499447   0.001927836
 H     -3.624684     -0.013021     -1.407224    0.00   0.000607380   0.000320462  -0.000529966
 O     -2.907220     -0.389021      0.481358    0.00  -0.002599331  -0.001088816  -0.001452078
26
 Energy =      -0.180438683561
 C      2.061829     -1.585123     -0.321370    0.00  -0.000301778   0.000804237   0.001244786
 C      2.931527     -0.332540     -0.168757    0.00   0.000644330   0.000240082  -0.000358524
 C      2.162466      0.923988     -0.588378    0.00   0.000224373   0.000218610  -0.000148801
 C      1.019841      1.252232      0.384537    0.00  -0.001019615  -0.001663862  -0.000689220
 C      0.086552      0.055960      0.563871    0.00   0.005170393  -0.008358920  -0.000931567
 C      0.832699     -1.534716      0.562005    0.00   0.001867139   0.007151666   0.006051882
 H      2.850508      1.788853     -0.649219    0.00  -0.000012499   0.000037041   0.000061032
 H      3.289682     -0.236647      0.874335    0.00   0.000058424   0.000046488  -0.000030853
 H      3.842797     -0.435184     -0.790042    0.00   0.000025530  -0.000001795  -0.000047263
 H      1.753939     -1.699687     -1.383434    0.00  -0.000231354   0.000043723   0.000192725
 H      2.654195     -2.491310     -0.078998    0.00  -0.000123777   0.000030163   0.000085191
 H      1.444819      1.498386      1.392902    0.00  -0.000160699  -0.000180624  -0.000016429
 H      1.041961     -1.518251      1.646369    0.00   0.000564771  -0.000723632   0.000303455
 H      0.153112     -2.393685      0.391003    0.00  -0.000313756   0.001028784  -0.000015394
 H      1.753247      0.790111     -1.611845    0.00   0.000074611   0.000033826  -0.000027529
 O     -0.712924      0.239875      1.659965    0.00   0.002277099  -0.000145713   0.000340763
 C      0.194178      2.441317     -0.113042    0.00  -0.000215176  -0.000833463   0.000117362
 H     -0.579015      2.717186      0.617955    0.00  -0.000001735  -0.000129332   0.000044449
 H      0.821760      3.323004     -0.280235    0.00   0.000005903  -0.000072986   0.000085526
 H     -0.317938      2.210303     -1.057880    0.00  -0.000004061   0.000005522   0.000002215
 H     -1.640580     -0.237214      1.536036    0.00   0.000646012  -0.000353197   0.000845071
 O     -0.481917     -0.690306     -0.421747    0.00  -0.012577789   0.003073069  -0.009848037
 O     -1.625733     -0.141503     -1.365415    0.00   0.005840133   0.000025930   0.002852167
 C     -2.785949     -0.191849     -0.726434    0.00  -0.001009357   0.000261109   0.001551655
 H     -3.633111     -0.017856     -1.398900    0.00   0.000489969   0.000247154  -0.000420019
 O     -2.904884     -0.388069      0.482870    0.00  -0.001917091  -0.000783881  -0.001244646
26
 Energy =      -0.179265032889
 C      2.062332     -1.586379     -0.323260    0.00  -0.000153643   0.000394735   0.000625921
 C      2.930539     -0.332907     -0.168204    0.00   0.000322585   0.000116566  -0.000180996
 C      2.162127      0.923649     -0.588159    0.00   0.000107721   0.000117273  -0.000062331
 C      1.021440      1.254750      0.385596    0.00  -0.000579308  -0.000863464  -0.000335811
 C      0.078285      0.069575      0.565566    0.00   0.002905618  -0.004702341  -0.000519226
 C      0.829743     -1.546068      0.552618    0.00   0.001001488   0.003911958   0.003365282
 H      2.850748      1.788180     -0.650376    0.00  -0.000007120   0.000018184   0.000031809
 H      3.288639     -0.237494      0.874903    0.00   0.000026965   0.000022586  -0.000014600
 H      3.842365     -0.435149     -0.789178    0.00   0.000012500  -0.000000357  -0.000022808
 H      1.758137     -1.700469     -1.386945    0.00  -0.000122673   0.000021247   0.000102346
 H      2.656462     -2.491845     -0.080631    0.00  -0.000062691   0.000018082   0.000039697
 H      1.447801      1.501710      1.393198    0.00  -0.000092682  -0.000097520  -0.000005212
 H      1.030977     -1.504771      1.638196    0.00   0.000314979  -0.000420191   0.000124390
 H      0.159872     -2.412986      0.391717    0.00  -0.000166294   0.000611198  -0.000025657
 H      1.751829      0.789484     -1.611400    0.00   0.000038532   0.000016773  -0.000012919
 O     -0.715369      0.240146      1.659392    0.00   0.001515478   0.000100651   0.000388371
 C      0.194496      2.442574     -0.113210    0.00  -0.000099271  -0.000402664   0.000064215
 H     -0.579043      2.719591      0.617107    0.00   0.000000987  -0.000065474   0.000024113
 H      0.821654      3.324339     -0.281791    0.00   0.000003218  -0.000035158   0.000043694
 H     -0.317930      2.210177     -1.058081    0.00  -0.000000727   0.000003864   0.000001695
 H     -1.656579     -0.233073      1.519545    0.00   0.000189981  -0.000274384   0.000505083
 O     -0.466705     -0.694372     -0.409992    0.00  -0.007197212   0.001952473  -0.005597884
 O     -1.632901     -0.141258     -1.368857    0.00   0.003390921  -0.000253075   0.001607224
 C     -2.784455     -0.192133     -0.729211    0.00  -0.000594491   0.000115645   0.000793617
 H     -3.641655     -0.022649     -1.390279    0.00   0.000310361   0.000136971  -0.000235286
 O     -2.902613     -0.387177      0.484545    0.00  -0.001065221  -0.000443578  -0.000704727
26
 Energy =       -0.17883584722
 C      1.992270     -1.604756     -0.320437    0.00  -0.000008235   0.000007283  -0.000002528
 C      2.859195     -0.350543     -0.163319    0.00  -0.000001286   0.000000094   0.000000822
 C      2.091356      0.906027     -0.583576    0.00   0.000001866   0.000000153   0.000001163
 C      0.952419      1.239531      0.390851    0.00   0.000000426   0.000002035  -0.000000929
 C     -0.000332      0.065641      0.572242    0.00  -0.000021872  -0.000009923   0.000009355
 C      0.756070     -1.573707      0.548081    0.00  -0.000040957  -0.000001138  -0.000019251
 H      2.780449      1.770317     -0.646918    0.00  -0.000000804   0.000000707   0.000000821
 H      3.217394     -0.255520      0.879747    0.00   0.000001938   0.000000516  -0.000000677
 H      3.771455     -0.452499     -0.784118    0.00  -0.000001126  -0.000000834  -0.000001270
 H      1.691314     -1.718443     -1.385594    0.00   0.000000380  -0.000001134   0.000000402
 H      2.587871     -2.509588     -0.077525    0.00   0.000000482   0.000000992   0.000001396
 H      1.380062      1.487369      1.397787    0.00  -0.000001754   0.000000234   0.000001001
 H      0.949803     -1.509032      1.634121    0.00  -0.000003450   0.000013227  -0.000003778
 H      0.096829     -2.449115      0.397583    0.00   0.000005994   0.000008039  -0.000000804
 H      1.680146      0.771630     -1.606667    0.00   0.000001693   0.000000187  -0.000001220
 O     -0.787943      0.222948      1.662609    0.00   0.000025340  -0.000013437  -0.000009080
 C      0.124227      2.426269     -0.108944    0.00   0.000000305   0.000000453   0.000000113
 H     -0.649552      2.704448      0.620784    0.00   0.000000503   0.000000803   0.000000575
 H      0.751108      3.308048     -0.278756    0.00   0.000000306  -0.000000376  -0.000000742
 H     -0.388497      2.192714     -1.053923    0.00  -0.000000983  -0.000000400   0.000000218
 H     -1.746932     -0.248611      1.503025    0.00  -0.000004833   0.000010215  -0.000001639
 O     -0.521870     -0.716770     -0.394090    0.00   0.000036029  -0.000017791   0.000019937
 O     -1.710749     -0.157494     -1.367720    0.00  -0.000002796   0.000007886   0.000012360
 C     -2.853338     -0.209565     -0.727938    0.00   0.000014960  -0.000008156  -0.000005390
 H     -3.720867     -0.045397     -1.376646    0.00  -0.000000287  -0.000004658  -0.000000576
 O     -2.970911     -0.403647      0.491118    0.00  -0.000001838   0.000005025  -0.000000280
26
 Energy =      -0.179329107244
 C      2.063205     -1.588471     -0.326449    0.00   0.000188860  -0.000422010  -0.000615881
 C      2.928848     -0.333517     -0.167269    0.00  -0.000333499  -0.000121013   0.000181428
 C      2.161583      0.923067     -0.587827    0.00  -0.000103886  -0.000107534   0.000065533
 C      1.024396      1.258974      0.387271    0.00   0.000554477   0.000782133   0.000312076
 C      0.062049      0.096368      0.570083    0.00  -0.003326581   0.005609367   0.001240998
 C      0.823394     -1.566685      0.534709    0.00  -0.001459776  -0.004007593  -0.003531706
 H      2.851147      1.787115     -0.652295    0.00   0.000005882  -0.000017165  -0.000030600
 H      3.287146     -0.238884      0.875756    0.00  -0.000022646  -0.000022834   0.000013256
 H      3.841543     -0.435188     -0.787893    0.00  -0.000014739  -0.000001564   0.000019531
 H      1.765489     -1.701756     -1.393077    0.00   0.000117791  -0.000019929  -0.000096530
 H      2.660278     -2.492669     -0.083254    0.00   0.000062020  -0.000007542  -0.000046292
 H      1.453320      1.507689      1.393541    0.00   0.000086618   0.000096395   0.000005177
 H      1.009627     -1.478631      1.621211    0.00  -0.000369563   0.000406063  -0.000426175
 H      0.174783     -2.450582      0.394614    0.00   0.000312577  -0.000596810   0.000061855
 H      1.749460      0.788438     -1.610769    0.00  -0.000038215  -0.000017649   0.000008978
 O     -0.719519      0.240411      1.656991    0.00  -0.000636287   0.000251824  -0.000829354
 C      0.194955      2.444626     -0.113513    0.00   0.000079999   0.000399942  -0.000056971
 H     -0.579064      2.723967      0.615627    0.00   0.000001437   0.000076729  -0.000023933
 H      0.821559      3.326419     -0.284556    0.00  -0.000000651   0.000033107  -0.000046587
 H     -0.318066      2.209913     -1.058600    0.00  -0.000003250  -0.000004071  -0.000013302
 H     -1.696287     -0.229487      1.477670    0.00  -0.001115545  -0.000159553  -0.000876165
 O     -0.436037     -0.704506     -0.387022    0.00   0.008548833  -0.003269086   0.006177721
 O     -1.647600     -0.139069     -1.375418    0.00  -0.004132774   0.000854087  -0.001758415
 C     -2.781224     -0.192335     -0.735500    0.00   0.000641402   0.000028168  -0.001607889
 H     -3.659082     -0.033484     -1.371848    0.00  -0.000254398  -0.000215429   0.000360565
 O     -2.898212     -0.385456      0.488856    0.00   0.001211912   0.000451969   0.001512684
26
 Energy =      -0.180917110266
 C      2.063601     -1.589363     -0.327820    0.00   0.000390114  -0.000826267  -0.001224642
 C      2.928114     -0.333777     -0.166869    0.00  -0.000652489  -0.000233898   0.000354889
 C      2.161359      0.922820     -0.587703    0.00  -0.000198373  -0.000215988   0.000101738
 C      1.025746      1.260749      0.387911    0.00   0.001177651   0.001572143   0.000556365
 C      0.054169      0.109431      0.572999    0.00  -0.007026624   0.011818833   0.002853999
 C      0.820008     -1.575922      0.526187    0.00  -0.003111212  -0.008182735  -0.007531200
 H      2.851322      1.786677     -0.653102    0.00   0.000013818  -0.000035190  -0.000061977
 H      3.286576     -0.239468      0.876090    0.00  -0.000045947  -0.000044139   0.000025954
 H      3.841157     -0.435237     -0.787397    0.00  -0.000028723  -0.000003175   0.000039046
 H      1.768729     -1.702275     -1.395772    0.00   0.000243351  -0.000035439  -0.000198043
 H      2.661894     -2.492972     -0.084324    0.00   0.000121466  -0.000017198  -0.000085737
 H      1.455862      1.510398      1.393596    0.00   0.000189753   0.000200018   0.000000462
 H      0.999414     -1.466470      1.612462    0.00  -0.000765193   0.000856661  -0.000755152
 H      0.182709     -2.468570      0.396483    0.00   0.000638278  -0.001309721   0.000147169
 H      1.748454      0.787976     -1.610538    0.00  -0.000076355  -0.000036032   0.000020070
 O     -0.721215      0.240463      1.655223    0.00  -0.001582994   0.000299410  -0.002217147
 C      0.195121      2.445495     -0.113660    0.00   0.000145175   0.000784597  -0.000137910
 H     -0.579024      2.725982      0.614997    0.00   0.000005092   0.000150925  -0.000047244
 H      0.821564      3.327249     -0.285786    0.00  -0.000001536   0.000063194  -0.000091659
 H     -0.318147      2.209808     -1.058905    0.00  -0.000001597  -0.000006567  -0.000022649
 H     -1.720949     -0.230234      1.451515    0.00  -0.002402330  -0.000321909  -0.002145979
 O     -0.420768     -0.710384     -0.375912    0.00   0.018385263  -0.007349913   0.013227621
 O     -1.655026     -0.137325     -1.378521    0.00  -0.008970862   0.002239809  -0.003716526
 C     -2.779441     -0.192283     -0.739019    0.00   0.001558362   0.000118916  -0.003432085
 H     -3.667895     -0.039549     -1.362023    0.00  -0.000620467  -0.000479090   0.000790732
 O     -2.896057     -0.384615      0.491546    0.00   0.002616377   0.000992752   0.003549902
26
 Energy =      -0.183759743627
 C      2.064010     -1.590207     -0.329093    0.00   0.000615589  -0.001222395  -0.001816225
 C      2.927439     -0.334018     -0.166501    0.00  -0.000954043  -0.000344082   0.000516982
 C      2.161157      0.922598     -0.587609    0.00  -0.000285074  -0.000309070   0.000118312
 C      1.027016      1.262369      0.388432    0.00   0.001776758   0.002296253   0.000685977
 C      0.046512      0.122166      0.576385    0.00  -0.010991323   0.018421683   0.005313167
 C      0.816606     -1.584531      0.518018    0.00  -0.005036723  -0.012167532  -0.011652235
 H      2.851509      1.786248     -0.653871    0.00   0.000022606  -0.000053916  -0.000091962
 H      3.286004     -0.240000      0.876412    0.00  -0.000071497  -0.000063305   0.000038771
 H      3.840813     -0.435277     -0.786919    0.00  -0.000042576  -0.000005145   0.000058240
 H      1.771761     -1.702699     -1.398271    0.00   0.000365448  -0.000045827  -0.000293837
 H      2.663403     -2.493230     -0.085329    0.00   0.000179054  -0.000022791  -0.000121807
 H      1.458292      1.512939      1.393563    0.00   0.000290394   0.000300836  -0.000012104
 H      0.989676     -1.455275      1.603769    0.00  -0.001167210   0.001287937  -0.001127245
 H      0.190738     -2.485791      0.398447    0.00   0.001010599  -0.002030027   0.000241761
 H      1.747507      0.787516     -1.610314    0.00  -0.000111355  -0.000056704   0.000031008
 O     -0.722608      0.240533      1.653146    0.00  -0.002087812   0.000348045  -0.004233900
 C      0.195266      2.446310     -0.113816    0.00   0.000204475   0.001178021  -0.000242213
 H     -0.578943      2.727851      0.614443    0.00   0.000015730   0.000223020  -0.000064474
 H      0.821569      3.328021     -0.286905    0.00  -0.000001461   0.000092353  -0.000133211
 H     -0.318160      2.209737     -1.059218    0.00   0.000006696  -0.000005307  -0.000032739
 H     -1.750416     -0.233384      1.421208    0.00  -0.004277448  -0.000688948  -0.004005306
 O     -0.405773     -0.716537     -0.365153    0.00   0.029029219  -0.012331707   0.020615840
 O     -1.662425     -0.135331     -1.381515    0.00  -0.014355657   0.004124075  -0.005753197
 C     -2.777515     -0.192112     -0.742814    0.00   0.002811312   0.000330991  -0.005819975
 H     -3.676733     -0.045912     -1.351706    0.00  -0.001041901  -0.000812662   0.001322487
 O     -2.893936     -0.383804      0.494644    0.00   0.004096199   0.001556205   0.006457882
26
 Energy =       -0.18801258474
 C      2.064419     -1.590993     -0.330267    0.00   0.000863983  -0.001610408  -0.002382716
 C      2.926826     -0.334240     -0.166170    0.00  -0.001227152  -0.000449714   0.000658837
 C      2.160975      0.922405     -0.587541    0.00  -0.000364913  -0.000376681   0.000112175
 C      1.028182      1.263835      0.388812    0.00   0.002300879   0.002956380   0.000652958
 C      0.039131      0.134427      0.580306    0.00  -0.015066822   0.025097601   0.008734409
 C      0.813200     -1.592421      0.510275    0.00  -0.007108651  -0.015791905  -0.015667611
 H      2.851704      1.785830     -0.654580    0.00   0.000033938  -0.000075141  -0.000119520
 H      3.285430     -0.240478      0.876717    0.00  -0.000103848  -0.000080219   0.000052637
 H      3.840496     -0.435317     -0.786471    0.00  -0.000055766  -0.000006899   0.000078279
 H      1.774578     -1.703027     -1.400557    0.00   0.000482281  -0.000048084  -0.000380607
 H      2.664786     -2.493422     -0.086233    0.00   0.000232617  -0.000022957  -0.000153005
 H      1.460560      1.515280      1.393428    0.00   0.000383541   0.000391332  -0.000036483
 H      0.980523     -1.445113      1.595280    0.00  -0.001547586   0.001660056  -0.001511295
 H      0.198710     -2.501993      0.400406    0.00   0.001402035  -0.002717128   0.000335110
 H      1.746648      0.787062     -1.610092    0.00  -0.000142237  -0.000079990   0.000044914
 O     -0.723553      0.240634      1.650789    0.00  -0.001672352   0.000530946  -0.006751806
 C      0.195398      2.447082     -0.113986    0.00   0.000271466   0.001600506  -0.000383164
 H     -0.578787      2.729561      0.613991    0.00   0.000037252   0.000286609  -0.000071805
 H      0.821575      3.328742     -0.287913    0.00  -0.000002084   0.000123382  -0.000169148
 H     -0.318089      2.209710     -1.059508    0.00   0.000026623   0.000001226  -0.000039392
 H     -1.785683     -0.239149      1.386240    0.00  -0.006962548  -0.001378579  -0.006512098
 O     -0.391204     -0.722893     -0.354860    0.00   0.039919337  -0.017937233   0.027941527
 O     -1.669718     -0.133123     -1.384372    0.00  -0.020043918   0.006380340  -0.007799856
 C     -2.775411     -0.191834     -0.746907    0.00   0.004427591   0.000688427  -0.008885865
 H     -3.685566     -0.052624     -1.340881    0.00  -0.001506660  -0.001211189   0.001964498
 O     -2.891908     -0.383034      0.498161    0.00   0.005422993   0.002069320   0.010289026
26
 Energy =       -0.19379904157
 C      2.064824     -1.591728     -0.331355    0.00   0.001130483  -0.001989056  -0.002919895
 C      2.926272     -0.334445     -0.165874    0.00  -0.001463314  -0.000550321   0.000775242
 C      2.160810      0.922242     -0.587499    0.00  -0.000442381  -0.000415500   0.000083049
 C      1.029227      1.265169      0.389038    0.00   0.002691918   0.003577719   0.000420511
 C      0.032056      0.146110      0.584787    0.00  -0.019041950   0.031415919   0.013046134
 C      0.809845     -1.599594      0.503020    0.00  -0.009159011  -0.018910786  -0.019306729
 H      2.851910      1.785412     -0.655226    0.00   0.000047850  -0.000099542  -0.000143047
 H      3.284828     -0.240905      0.877013    0.00  -0.000145998  -0.000094498   0.000068116
 H      3.840202     -0.435354     -0.786041    0.00  -0.000067995  -0.000008006   0.000100020
 H      1.777195     -1.703256     -1.402630    0.00   0.000592050  -0.000040737  -0.000454538
 H      2.666051     -2.493546     -0.087037    0.00   0.000281784  -0.000016912  -0.000178084
 H      1.462647      1.517401      1.393179    0.00   0.000464385   0.000464641  -0.000075784
 H      0.972058     -1.436074      1.587130    0.00  -0.001874731   0.001935608  -0.001877837
 H      0.206479     -2.517025      0.402268    0.00   0.001780530  -0.003322634   0.000410312
 H      1.745879      0.786608     -1.609853    0.00  -0.000167309  -0.000106365   0.000063138
 O     -0.723890      0.240817      1.648244    0.00   0.000115515   0.001003741  -0.009416968
 C      0.195526      2.447832     -0.114177    0.00   0.000363329   0.002075128  -0.000570295
 H     -0.578537      2.731095      0.613654    0.00   0.000071880   0.000336766  -0.000066936
 H      0.821573      3.329435     -0.288812    0.00  -0.000005030   0.000159845  -0.000198017
 H     -0.317909      2.209736     -1.059748    0.00   0.000061286   0.000014553  -0.000039538
 H     -1.827205     -0.247875      1.346846    0.00  -0.010338531  -0.002431510  -0.009433248
 O     -0.377214     -0.729335     -0.345126    0.00   0.050336647  -0.023748042   0.034721567
 O     -1.676824     -0.130775     -1.387086    0.00  -0.025617486   0.008803483  -0.009784857
 C     -2.773137     -0.191450     -0.751320    0.00   0.006267700   0.001181926  -0.012570475
 H     -3.694361     -0.059615     -1.329555    0.00  -0.001993123  -0.001647496   0.002696570
 O     -2.890077     -0.382333      0.502048    0.00   0.006111503   0.002412076   0.014651588
26
 Energy =      -0.201102383296
 C      2.065234     -1.592429     -0.332382    0.00   0.001412956  -0.002363819  -0.003427348
 C      2.925764     -0.334639     -0.165606    0.00  -0.001663456  -0.000646328   0.000867621
 C      2.160654      0.922104     -0.587478    0.00  -0.000526741  -0.000434956   0.000035484
 C      1.030147      1.266422      0.389111    0.00   0.002898714   0.004215344   0.000005103
 C      0.025255      0.157245      0.589802    0.00  -0.022518186   0.036804239   0.017666812
 C      0.806562     -1.606163      0.496220    0.00  -0.010977953  -0.021408453  -0.022286848
 H      2.852128      1.784983     -0.655817    0.00   0.000062950  -0.000125784  -0.000161223
 H      3.284171     -0.241293      0.877310    0.00  -0.000198121  -0.000106586   0.000085164
 H      3.839926     -0.435384     -0.785614    0.00  -0.000078490  -0.000007833   0.000123723
 H      1.779667     -1.703391     -1.404524    0.00   0.000693815  -0.000025221  -0.000514030
 H      2.667233     -2.493608     -0.087759    0.00   0.000328285  -0.000005644  -0.000197435
 H      1.464579      1.519317      1.392802    0.00   0.000533516   0.000518713  -0.000130198
 H      0.964277     -1.428157      1.579329    0.00  -0.002112864   0.002066505  -0.002196597
 H      0.213997     -2.530966      0.403959    0.00   0.002109549  -0.003804427   0.000447186
 H      1.745188      0.786141     -1.609588    0.00  -0.000186230  -0.000136009   0.000083901
 O     -0.723519      0.241140      1.645637    0.00   0.003238679   0.001897456  -0.011535850
 C      0.195663      2.448588     -0.114395    0.00   0.000493231   0.002618425  -0.000800766
 H     -0.578183      2.732473      0.613428    0.00   0.000116887   0.000374417  -0.000052646
 H      0.821553      3.330140     -0.289621    0.00  -0.000011197   0.000205778  -0.000221179
 H     -0.317609      2.209822     -1.059927    0.00   0.000107672   0.000035637  -0.000034974
 H     -1.873985     -0.259606      1.304470    0.00  -0.013547521  -0.003712599  -0.011954869
 O     -0.363786     -0.735803     -0.335921    0.00   0.059422428  -0.029179814   0.040420931
 O     -1.683710     -0.128339     -1.389692    0.00  -0.030372946   0.011112195  -0.011629984
 C     -2.770764     -0.190973     -0.756054    0.00   0.007828434   0.001722527  -0.016439726
 H     -3.703134     -0.066805     -1.317738    0.00  -0.002452551  -0.002061121   0.003436466
 O     -2.888596     -0.381730      0.506162    0.00   0.005399139   0.002447357   0.018411281
26
 Energy =      -0.209591443549
 C      2.065667     -1.593137     -0.333400    0.00   0.001717651  -0.002748191  -0.003909635
 C      2.925276     -0.334831     -0.165354    0.00  -0.001842865  -0.000739275   0.000946849
 C      2.160494      0.921981     -0.587475    0.00  -0.000630732  -0.000460237  -0.000021996
 C      1.030963      1.267685      0.389043    0.00   0.002900929   0.004937990  -0.000497541
 C      0.018605      0.168082      0.595297    0.00  -0.024851683   0.040623102   0.021387331
 C      0.803300     -1.612390      0.489687    0.00  -0.012353632  -0.023209902  -0.024376349
 H      2.852363      1.784528     -0.656375    0.00   0.000076174  -0.000150106  -0.000174011
 H      3.283423     -0.241664      0.877623    0.00  -0.000256140  -0.000118055   0.000103075
 H      3.839657     -0.435407     -0.785166    0.00  -0.000085783  -0.000005393   0.000148882
 H      1.782111     -1.703448     -1.406323    0.00   0.000787767  -0.000007195  -0.000561798
 H      2.668400     -2.493617     -0.088437    0.00   0.000376309   0.000007178  -0.000213767
 H      1.466453      1.521115      1.392279    0.00   0.000599038   0.000560767  -0.000194380
 H      0.957018     -1.421270      1.571686    0.00  -0.002227403   0.001996824  -0.002438549
 H      0.221401     -2.544246      0.405433    0.00   0.002355516  -0.004136357   0.000424494
 H      1.744541      0.785638     -1.609292    0.00  -0.000200667  -0.000168453   0.000100845
 O     -0.722459      0.241660      1.643101    0.00   0.006699124   0.003196610  -0.012218024
 C      0.195823      2.449398     -0.114651    0.00   0.000662075   0.003231115  -0.001054762
 H     -0.577725      2.733771      0.613283    0.00   0.000162773   0.000409702  -0.000038445
 H      0.821509      3.330916     -0.290388    0.00  -0.000019651   0.000264278  -0.000243574
 H     -0.317189      2.209980     -1.060063    0.00   0.000154220   0.000064967  -0.000034859
 H     -1.923105     -0.274024      1.261815    0.00  -0.015014616  -0.004877103  -0.012795303
 O     -0.350594     -0.742386     -0.327000    0.00   0.066360022  -0.033577513   0.044594959
 O     -1.690441     -0.125806     -1.392288    0.00  -0.033418421   0.013027400  -0.013267856
 C     -2.768428     -0.190427     -0.761115    0.00   0.008251555   0.002123359  -0.019594893
 H     -3.712021     -0.074188     -1.305360    0.00  -0.002809192  -0.002368372   0.004028215
 O     -2.887664     -0.381244      0.510284    0.00   0.002607633   0.002122859   0.019901092
26
 Energy =      -0.218584631176
 C      2.066161     -1.593909     -0.334486    0.00   0.002059720  -0.003158741  -0.004373717
 C      2.924768     -0.335037     -0.165094    0.00  -0.002025917  -0.000831457   0.001029271
 C      2.160312      0.921853     -0.587489    0.00  -0.000765140  -0.000520810  -0.000082301
 C      1.031707      1.269086      0.388852    0.00   0.002719490   0.005789103  -0.000944262
 C      0.011946      0.179050      0.601186    0.00  -0.025326758   0.042361978   0.022821122
 C      0.799937     -1.618649      0.483105    0.00  -0.013098468  -0.024302524  -0.025430798
 H      2.852616      1.784029     -0.656935    0.00   0.000083686  -0.000168574  -0.000183409
 H      3.282534     -0.242053      0.877975    0.00  -0.000313406  -0.000131012   0.000121116
 H      3.839387     -0.435415     -0.784662    0.00  -0.000088393   0.000000806   0.000174928
 H      1.784704     -1.703452     -1.408162    0.00   0.000874311   0.000004802  -0.000603545
 H      2.669661     -2.493589     -0.089130    0.00   0.000430721   0.000015856  -0.000231323
 H      1.468435      1.522943      1.391581    0.00   0.000669374   0.000604360  -0.000257436
 H      0.950035     -1.415378      1.563856    0.00  -0.002193952   0.001681917  -0.002573366
 H      0.228999     -2.557565      0.406628    0.00   0.002495028  -0.004308273   0.000322488
 H      1.743890      0.785059     -1.608974    0.00  -0.000213202  -0.000202206   0.000106144
 O     -0.720863      0.242442      1.640782    0.00   0.008863251   0.004722287  -0.010788302
 C      0.196022      2.450333     -0.114960    0.00   0.000855641   0.003901840  -0.001306527
 H     -0.577164      2.735123      0.613172    0.00   0.000196752   0.000458119  -0.000037105
 H      0.821438      3.331852     -0.291191    0.00  -0.000027967   0.000335466  -0.000271571
 H     -0.316665      2.210236     -1.060207    0.00   0.000185863   0.000103321  -0.000050285
 H     -1.970001     -0.290686      1.222615    0.00  -0.013594424  -0.005592464  -0.011148915
 O     -0.337035     -0.749321     -0.317928    0.00   0.070560790  -0.036385032   0.047004767
 O     -1.697162     -0.123093     -1.395036    0.00  -0.034053010   0.014370362  -0.014632925
 C     -2.766356     -0.189850     -0.766503    0.00   0.006775956   0.002177903  -0.021004037
 H     -3.721263     -0.081850     -1.292310    0.00  -0.002987486  -0.002496959   0.004290109
 O     -2.887529     -0.380876      0.514144    0.00  -0.002082459   0.001569934   0.018049878
26
 Energy =      -0.227351744458
 C      2.066769     -1.594822     -0.335731    0.00   0.002455211  -0.003605008  -0.004821803
 C      2.924191     -0.335275     -0.164802    0.00  -0.002230387  -0.000924664   0.001126455
 C      2.160083      0.921699     -0.587519    0.00  -0.000930241  -0.000627302  -0.000146075
 C      1.032405      1.270780      0.388558    0.00   0.002407794   0.006752599  -0.001226995
 C      0.005259      0.190510      0.607235    0.00  -0.023605899   0.041854507   0.021348558
 C      0.796374     -1.625305      0.476187    0.00  -0.013042504  -0.024765180  -0.025378753
 H      2.852887      1.783466     -0.657543    0.00   0.000082978  -0.000180962  -0.000193405
 H      3.281442     -0.242499      0.878396    0.00  -0.000364996  -0.000146746   0.000139198
 H      3.839108     -0.435395     -0.784056    0.00  -0.000086288   0.000012659   0.000202407
 H      1.787643     -1.703439     -1.410186    0.00   0.000952171   0.000003135  -0.000642414
 H      2.671152     -2.493546     -0.089910    0.00   0.000493807   0.000015129  -0.000253911
 H      1.470710      1.524985      1.390673    0.00   0.000739012   0.000658062  -0.000307215
 H      0.943195     -1.410744      1.555553    0.00  -0.002010714   0.001120549  -0.002568647
 H      0.237085     -2.571581      0.407377    0.00   0.002516848  -0.004316708   0.000126850
 H      1.743179      0.784355     -1.608651    0.00  -0.000224992  -0.000234605   0.000097629
 O     -0.719022      0.243564      1.638910    0.00   0.008642131   0.006245053  -0.007302435
 C      0.196280      2.451486     -0.115345    0.00   0.001048109   0.004620475  -0.001545079
 H     -0.576507      2.736712      0.613025    0.00   0.000210518   0.000529534  -0.000057208
 H      0.821340      3.333061     -0.292125    0.00  -0.000033925   0.000414728  -0.000308865
 H     -0.316057      2.210641     -1.060432    0.00   0.000194679   0.000151998  -0.000082611
 H     -2.009445     -0.309243      1.191017    0.00  -0.010001214  -0.005822859  -0.007781420
 O     -0.322517     -0.756846     -0.308278    0.00   0.071714442  -0.037279162   0.047598353
 O     -1.703951     -0.120089     -1.398106    0.00  -0.032247653   0.015087610  -0.015578983
 C     -2.764900     -0.189302     -0.772116    0.00   0.003452614   0.001805064  -0.020150554
 H     -3.731014     -0.089823     -1.278731    0.00  -0.002953788  -0.002424480   0.004117892
 O     -2.888431     -0.380614      0.517427    0.00  -0.007177710   0.001056574   0.013589030
26
 Energy =       -0.23548985794
 C      2.067552     -1.595944     -0.337203    0.00   0.002907873  -0.004078349  -0.005240963
 C      2.923506     -0.335559     -0.164456    0.00  -0.002452690  -0.001018133   0.001236417
 C      2.159785      0.921496     -0.587572    0.00  -0.001111569  -0.000756487  -0.000219374
 C      1.033058      1.272902      0.388182    0.00   0.002035067   0.007743610  -0.001344113
 C     -0.001189      0.202446      0.612997    0.00  -0.020203618   0.039408389   0.017847471
 C      0.792670     -1.632559      0.468887    0.00  -0.012072315  -0.024785313  -0.024242126
 H      2.853165      1.782819     -0.658243    0.00   0.000075651  -0.000191435  -0.000208541
 H      3.280091     -0.243042      0.878915    0.00  -0.000411111  -0.000164539   0.000157763
 H      3.838819     -0.435319     -0.783301    0.00  -0.000080992   0.000031665   0.000232865
 H      1.791072     -1.703459     -1.412501    0.00   0.001016508  -0.000014784  -0.000674796
 H      2.672998     -2.493521     -0.090844    0.00   0.000563727   0.000002806  -0.000283319
 H      1.473380      1.527394      1.389552    0.00   0.000784752   0.000717025  -0.000336626
 H      0.936656     -1.408043      1.546842    0.00  -0.001712360   0.000384064  -0.002409820
 H      0.245697     -2.586485      0.407341    0.00   0.002423850  -0.004169697  -0.000160281
 H      1.742373      0.783488     -1.608346    0.00  -0.000235424  -0.000262677   0.000081855
 O     -0.717338      0.245090      1.637791    0.00   0.006418038   0.007571983  -0.002836447
 C      0.196611      2.452949     -0.115830    0.00   0.001211895   0.005379888  -0.001781594
 H     -0.575783      2.738712      0.612758    0.00   0.000206008   0.000618795  -0.000096679
 H      0.821220      3.334646     -0.293279    0.00  -0.000036171   0.000493838  -0.000353501
 H     -0.315404      2.211268     -1.060799    0.00   0.000185486   0.000210871  -0.000119913
 H     -2.038168     -0.329442      1.169340    0.00  -0.006294791  -0.005769772  -0.004553907
 O     -0.306910     -0.764962     -0.297912    0.00   0.069878145  -0.036266744   0.046492456
 O     -1.710688     -0.116752     -1.401561    0.00  -0.028866512   0.015218542  -0.015843314
 C     -2.764459     -0.188870     -0.777644    0.00  -0.000607667   0.001136293  -0.017544278
 H     -3.741094     -0.097885     -1.265343    0.00  -0.002743083  -0.002194705   0.003580100
 O     -2.890417     -0.380421      0.519871    0.00  -0.010878698   0.000754867   0.008620664
26
 Energy =      -0.242913716552
 C      2.068563     -1.597328     -0.338944    0.00   0.003407564  -0.004555446  -0.005602945
 C      2.922683     -0.335900     -0.164041    0.00  -0.002672697  -0.001107840   0.001347133
 C      2.159399      0.921234     -0.587655    0.00  -0.001292579  -0.000869864  -0.000302142
 C      1.033651      1.275534      0.387749    0.00   0.001654164   0.008644768  -0.001374671
 C     -0.007036      0.214511      0.618094    0.00  -0.016202551   0.035629432   0.014026898
 C      0.789065     -1.640472      0.461409    0.00  -0.010216288  -0.024589858  -0.022177217
 H      2.853437      1.782066     -0.659082    0.00   0.000066888  -0.000204093  -0.000231396
 H      3.278437     -0.243704      0.879556    0.00  -0.000455893  -0.000182126   0.000177303
 H      3.838527     -0.435149     -0.782348    0.00  -0.000073441   0.000058001   0.000267312
 H      1.795038     -1.703575     -1.415137    0.00   0.001059705  -0.000045777  -0.000694198
 H      2.675299     -2.493562     -0.091995    0.00   0.000637716  -0.000020042  -0.000320212
 H      1.476397      1.530250      1.388247    0.00   0.000785381   0.000770509  -0.000346493
 H      0.930752     -1.408053      1.538135    0.00  -0.001358369  -0.000409962  -0.002122652
 H      0.254589     -2.602006      0.406065    0.00   0.002233374  -0.003899503  -0.000514796
 H      1.741453      0.782440     -1.608071    0.00  -0.000244764  -0.000285072   0.000067133
 O     -0.716145      0.247043      1.637608    0.00   0.003495526   0.008586872   0.001149597
 C      0.197020      2.454801     -0.116440    0.00   0.001333115   0.006164693  -0.002032007
 H     -0.575026      2.741256      0.612295    0.00   0.000192251   0.000710823  -0.000145147
 H      0.821088      3.336675     -0.294720    0.00  -0.000033297   0.000566155  -0.000399735
 H     -0.314737      2.212196     -1.061329    0.00   0.000168396   0.000276660  -0.000150127
 H     -2.057117     -0.351092      1.155985    0.00  -0.003713285  -0.005579626  -0.002548031
 O     -0.290562     -0.773414     -0.286993    0.00   0.065544043  -0.033655666   0.043995717
 O     -1.717186     -0.113126     -1.405308    0.00  -0.025107305   0.014861868  -0.015236908
 C     -2.765225     -0.188626     -0.782747    0.00  -0.004125378   0.000409250  -0.014350322
 H     -3.751100     -0.105666     -1.253097    0.00  -0.002432714  -0.001883100   0.002867611
 O     -2.893264     -0.380261      0.521446    0.00  -0.012649563   0.000608945   0.004650295
26
 Energy =       -0.24962624767
 C      2.069865     -1.599025     -0.340981    0.00   0.003940102  -0.005013722  -0.005875306
 C      2.921698     -0.336307     -0.163544    0.00  -0.002870811  -0.001187649   0.001447497
 C      2.158909      0.920910     -0.587778    0.00  -0.001469456  -0.000944151  -0.000384814
 C      1.034172      1.278733      0.387262    0.00   0.001278431   0.009354327  -0.001386665
 C     -0.012099      0.226358      0.622506    0.00  -0.012399153   0.031064335   0.011037089
 C      0.785870     -1.649135      0.454005    0.00  -0.007644559  -0.024322253  -0.019430345
 H      2.853707      1.781172     -0.660124    0.00   0.000060601  -0.000219897  -0.000261536
 H      3.276414     -0.244507      0.880351    0.00  -0.000503062  -0.000197172   0.000198050
 H      3.838242     -0.434835     -0.781140    0.00  -0.000063049   0.000090806   0.000305697
 H      1.799548     -1.703853     -1.418098    0.00   0.001074288  -0.000084195  -0.000696855
 H      2.678165     -2.493721     -0.093443    0.00   0.000715338  -0.000050827  -0.000366193
 H      1.479631      1.533611      1.386792    0.00   0.000738008   0.000813682  -0.000342487
 H      0.925742     -1.411368      1.529878    0.00  -0.000999513  -0.001161393  -0.001758392
 H      0.263461     -2.617835      0.403075    0.00   0.001970766  -0.003550643  -0.000901911
 H      1.740395      0.781198     -1.607818    0.00  -0.000255202  -0.000302280   0.000057120
 O     -0.715578      0.249427      1.638301    0.00   0.000870684   0.009266053   0.003821808
 C      0.197509      2.457128     -0.117208    0.00   0.001415020   0.006943470  -0.002299437
 H     -0.574249      2.744439      0.611577    0.00   0.000177431   0.000793376  -0.000193097
 H      0.820968      3.339204     -0.296501    0.00  -0.000023680   0.000628444  -0.000442318
 H     -0.314075      2.213507     -1.062020    0.00   0.000149449   0.000344615  -0.000170590
 H     -2.069415     -0.374033      1.147327    0.00  -0.002207598  -0.005279573  -0.001647166
 O     -0.273898     -0.781897     -0.275728    0.00   0.059404086  -0.029851204   0.040513720
 O     -1.723405     -0.109263     -1.409177    0.00  -0.021703534   0.014135663  -0.013818667
 C     -2.767134     -0.188596     -0.787301    0.00  -0.006552788  -0.000205208  -0.011458373
 H     -3.760742     -0.112894     -1.242602    0.00  -0.002091072  -0.001547325   0.002143425
 O     -2.896692     -0.380115      0.522295    0.00  -0.013010725   0.000482722   0.001909744
26
 Energy =      -0.255625230179
 C      2.071538     -1.601100     -0.343348    0.00   0.004487364  -0.005434628  -0.006029011
 C      2.920524     -0.336791     -0.162952    0.00  -0.003033419  -0.001250073   0.001531387
 C      2.158290      0.920528     -0.587945    0.00  -0.001648663  -0.000976663  -0.000455197
 C      1.034604      1.282544      0.386712    0.00   0.000897229   0.009799734  -0.001402123
 C     -0.016343      0.237715      0.626481    0.00  -0.009052217   0.026110979   0.009146203
 C      0.783417     -1.658715      0.446901    0.00  -0.004629942  -0.023998276  -0.016294320
 H      2.853986      1.780092     -0.661444    0.00   0.000056849  -0.000237609  -0.000296346
 H      3.273917     -0.245465      0.881343    0.00  -0.000553708  -0.000207776   0.000219844
 H      3.837981     -0.434315     -0.779597    0.00  -0.000048896   0.000128771   0.000347407
 H      1.804587     -1.704350     -1.421383    0.00   0.001055227  -0.000124238  -0.000682051
 H      2.681752     -2.494058     -0.095308    0.00   0.000796892  -0.000086232  -0.000423335
 H      1.482932      1.537554      1.385201    0.00   0.000653566   0.000848080  -0.000331075
 H      0.921777     -1.418409      1.522417    0.00  -0.000666847  -0.001806531  -0.001369681
 H      0.272042     -2.633782      0.397892    0.00   0.001664948  -0.003162427  -0.001284816
 H      1.739155      0.779736     -1.607568    0.00  -0.000269164  -0.000315236   0.000052059
 O     -0.715630      0.252251      1.639660    0.00  -0.001102158   0.009641140   0.005115557
 C      0.198082      2.460034     -0.118176    0.00   0.001468446   0.007667583  -0.002574228
 H     -0.573442      2.748357      0.610560    0.00   0.000165957   0.000860250  -0.000235435
 H      0.820899      3.342300     -0.298680    0.00  -0.000005927   0.000677966  -0.000477603
 H     -0.313421      2.215294     -1.062868    0.00   0.000130384   0.000410329  -0.000183823
 H     -2.077678     -0.398050      1.140297    0.00  -0.001356898  -0.004868013  -0.001375996
 O     -0.257264     -0.790128     -0.264256    0.00   0.052150346  -0.025262150   0.036452405
 O     -1.729432     -0.105197     -1.412994    0.00  -0.018846500   0.013149783  -0.011831532
 C     -2.770029     -0.188770     -0.791377    0.00  -0.007963074  -0.000634457  -0.009200739
 H     -3.769909     -0.119410     -1.234101    0.00  -0.001761982  -0.001218773   0.001492712
 O     -2.900514     -0.379998      0.522572    0.00  -0.012587815   0.000288465   0.000089737
26
 Energy =      -0.260921797783
 C      2.073679     -1.603629     -0.346067    0.00   0.005019966  -0.005797763  -0.006043788
 C      2.919130     -0.337363     -0.162247    0.00  -0.003150841  -0.001287174   0.001597138
 C      2.157506      0.920087     -0.588162    0.00  -0.001837852  -0.000977453  -0.000504509
 C      1.034919      1.286995      0.386081    0.00   0.000503031   0.009939890  -0.001412442
 C     -0.019743      0.248327      0.630348    0.00  -0.006129098   0.021101532   0.008138192
 C      0.782032     -1.669399      0.440296    0.00  -0.001524792  -0.023530197  -0.013099881
 H      2.854284      1.778773     -0.663131    0.00   0.000052751  -0.000255040  -0.000332088
 H      3.270809     -0.246593      0.882586    0.00  -0.000606418  -0.000212398   0.000242037
 H      3.837773     -0.433512     -0.777619    0.00  -0.000030774   0.000170134   0.000391454
 H      1.810101     -1.705121     -1.424980    0.00   0.001002040  -0.000160444  -0.000651079
 H      2.686261     -2.494634     -0.097759    0.00   0.000879961  -0.000122226  -0.000491564
 H      1.486154      1.542189      1.383467    0.00   0.000547974   0.000877082  -0.000317352
 H      0.918955     -1.429474      1.516001    0.00  -0.000378237  -0.002308028  -0.001002374
 H      0.280086     -2.649715      0.390058    0.00   0.001347340  -0.002763314  -0.001626648
 H      1.737662      0.778021     -1.607300    0.00  -0.000287963  -0.000324586   0.000051251
 O     -0.716243      0.255532      1.641448    0.00  -0.002441720   0.009758114   0.005365388
 C      0.198751      2.463629     -0.119395    0.00   0.001504035   0.008275162  -0.002839503
 H     -0.572574      2.753106      0.609201    0.00   0.000159426   0.000908636  -0.000270011
 H      0.820939      3.346032     -0.301313    0.00   0.000020963   0.000710810  -0.000502918
 H     -0.312780      2.217656     -1.063885    0.00   0.000111527   0.000469903  -0.000192535
 H     -2.083442     -0.422787      1.133011    0.00  -0.000853466  -0.004355627  -0.001369043
 O     -0.240964     -0.797830     -0.252676    0.00   0.044457827  -0.020333830   0.032196841
 O     -1.735379     -0.100954     -1.416593    0.00  -0.016469897   0.011999765  -0.009570129
 C     -2.773771     -0.189114     -0.795128    0.00  -0.008645370  -0.000862066  -0.007568187
 H     -3.778602     -0.125097     -1.227653    0.00  -0.001470297  -0.000914747   0.000949027
 O     -2.904633     -0.379948      0.522378    0.00  -0.011780114  -0.000006134  -0.001137278
26
 Energy =      -0.265562396301
 C      2.076384     -1.606683     -0.349143    0.00   0.005493054  -0.006075234  -0.005915208
 C      2.917492     -0.338026     -0.161413    0.00  -0.003216108  -0.001292303   0.001646910
 C      2.156509      0.919588     -0.588430    0.00  -0.002038924  -0.000962572  -0.000529945
 C      1.035074      1.292067      0.385361    0.00   0.000108358   0.009771543  -0.001398434
 C     -0.022213      0.257921      0.634401    0.00  -0.003555637   0.016358477   0.007677880
 C      0.781992     -1.681291      0.434343    0.00   0.001285180  -0.022781909  -0.010189368
 H      2.854589      1.777169     -0.665269    0.00   0.000044438  -0.000269644  -0.000364773
 H      3.266941     -0.247886      0.884141    0.00  -0.000657907  -0.000209996   0.000263466
 H      3.837659     -0.432338     -0.775090    0.00  -0.000009574   0.000212365   0.000436278
 H      1.815981     -1.706197     -1.428855    0.00   0.000920815  -0.000188150  -0.000607228
 H      2.691907     -2.495504     -0.100998    0.00   0.000956896  -0.000154409  -0.000565761
 H      1.489162      1.547646      1.381569    0.00   0.000437346   0.000902467  -0.000304247
 H      0.917336     -1.444677      1.510770    0.00  -0.000143955  -0.002647136  -0.000693237
 H      0.287373     -2.665477      0.379236    0.00   0.001049276  -0.002372211  -0.001893431
 H      1.735828      0.776014     -1.606988    0.00  -0.000311362  -0.000330822   0.000053817
 O     -0.717356      0.259279      1.643451    0.00  -0.003280607   0.009661899   0.004990307
 C      0.199531      2.468001     -0.120917    0.00   0.001529143   0.008699665  -0.003074551
 H     -0.571608      2.758763      0.607465    0.00   0.000157881   0.000937179  -0.000295999
 H      0.821179      3.350429     -0.304437    0.00   0.000057165   0.000722556  -0.000516376
 H     -0.312160      2.220690     -1.065088    0.00   0.000093396   0.000519507  -0.000198341
 H     -2.087517     -0.447649      1.124531    0.00  -0.000541145  -0.003766553  -0.001423573
 O     -0.225305     -0.804732     -0.241081    0.00   0.036987438  -0.015558773   0.028100970
 O     -1.741325     -0.096572     -1.419821    0.00  -0.014458057   0.010769105  -0.007298312
 C     -2.778270     -0.189573     -0.798708    0.00  -0.008873855  -0.000897698  -0.006426383
 H     -3.786868     -0.129839     -1.223243    0.00  -0.001227859  -0.000647313   0.000521246
 O     -2.908992     -0.380024      0.521759    0.00  -0.010805397  -0.000400038  -0.001995706
26
 Energy =      -0.269627758226
 C      2.079720     -1.610297     -0.352541    0.00   0.005853325  -0.006232594  -0.005662056
 C      2.915600     -0.338775     -0.160435    0.00  -0.003225834  -0.001262472   0.001686033
 C      2.155252      0.919027     -0.588743    0.00  -0.002244482  -0.000949181  -0.000535128
 C      1.035026      1.297675      0.384558    0.00  -0.000252947   0.009334293  -0.001343727
 C     -0.023622      0.266244      0.638851    0.00  -0.001326281   0.012178166   0.007484681
 C      0.783429     -1.694319      0.429102    0.00   0.003479715  -0.021649511  -0.007842578
 H      2.854857      1.775255     -0.667917    0.00   0.000029030  -0.000279167  -0.000391233
 H      3.262184     -0.249319      0.886064    0.00  -0.000703814  -0.000200478   0.000282652
 H      3.837686     -0.430711     -0.771896    0.00   0.000012801   0.000252040   0.000479637
 H      1.822067     -1.707580     -1.432941    0.00   0.000824643  -0.000204500  -0.000555882
 H      2.698832     -2.496702     -0.105202    0.00   0.001015324  -0.000178905  -0.000634770
 H      1.491848      1.554034      1.379491    0.00   0.000335615   0.000922770  -0.000292604
 H      0.916927     -1.463813      1.506715    0.00   0.000032694  -0.002823316  -0.000465107
 H      0.293748     -2.680827      0.365356    0.00   0.000796040  -0.002002105  -0.002061075
 H      1.733560      0.773688     -1.606605    0.00  -0.000337634  -0.000334733   0.000058701
 O     -0.718908      0.263475      1.645499    0.00  -0.003743950   0.009398247   0.004339666
 C      0.200433      2.473170     -0.122778    0.00   0.001547584   0.008885375  -0.003258162
 H     -0.570500      2.765348      0.605334    0.00   0.000160493   0.000945720  -0.000313310
 H      0.821734      3.355447     -0.308053    0.00   0.000101103   0.000710278  -0.000517425
 H     -0.311572      2.224452     -1.066494    0.00   0.000077156   0.000555286  -0.000202069
 H     -2.090381     -0.471753      1.114598    0.00  -0.000346713  -0.003135476  -0.001445130
 O     -0.210564     -0.810625     -0.229561    0.00   0.030308277  -0.011396660   0.024443606
 O     -1.747289     -0.092116     -1.422545    0.00  -0.012724968   0.009531536  -0.005213255
 C     -2.783459     -0.190067     -0.802233    0.00  -0.008834922  -0.000768705  -0.005624487
 H     -3.794774     -0.133545     -1.220779    0.00  -0.001036602  -0.000425522   0.000205748
 O     -2.913530     -0.380301      0.520727    0.00  -0.009795654  -0.000870387  -0.002622726
26
 Energy =      -0.273213436988
 C      2.083691     -1.614450     -0.356195    0.00   0.006058421  -0.006239598  -0.005326063
 C      2.913467     -0.339593     -0.159302    0.00  -0.003181384  -0.001199860   0.001721188
 C      2.153693      0.918396     -0.589097    0.00  -0.002438592  -0.000950851  -0.000528620
 C      1.034756      1.303672      0.383699    0.00  -0.000539919   0.008702118  -0.001241936
 C     -0.023867      0.273148      0.643802    0.00   0.000506506   0.008762932   0.007375263
 C      0.786268     -1.708205      0.424490    0.00   0.004914501  -0.020133169  -0.006185578
 H      2.855011      1.773040     -0.671098    0.00   0.000006053  -0.000282470  -0.000410225
 H      3.256468     -0.250841      0.888388    0.00  -0.000739926  -0.000185052   0.000298235
 H      3.837899     -0.428575     -0.767953    0.00   0.000034058   0.000285440   0.000518971
 H      1.828203     -1.709230     -1.437158    0.00   0.000730216  -0.000209392  -0.000503523
 H      2.707031     -2.498222     -0.110443    0.00   0.001043108  -0.000193405  -0.000684608
 H      1.494158      1.561399      1.377226    0.00   0.000252444   0.000933577  -0.000281787
 H      0.917655     -1.486294      1.503643    0.00   0.000156477  -0.002855170  -0.000321663
 H      0.299171     -2.695476      0.348712    0.00   0.000599981  -0.001663395  -0.002123348
 H      1.730778      0.771025     -1.606129    0.00  -0.000364120  -0.000337640   0.000064722
 O     -0.720824      0.268068      1.647480    0.00  -0.003922719   0.009016814   0.003645383
 C      0.201466      2.479065     -0.124987    0.00   0.001560828   0.008806733  -0.003373864
 H     -0.569212      2.772804      0.602815    0.00   0.000165878   0.000935589  -0.000322592
 H      0.822730      3.360943     -0.312116    0.00   0.000148870   0.000674517  -0.000507468
 H     -0.311019      2.228933     -1.068108    0.00   0.000064364   0.000573889  -0.000204103
 H     -2.092399     -0.494060      1.103439    0.00  -0.000229762  -0.002504115  -0.001402473
 O     -0.196910     -0.815446     -0.218184    0.00   0.024762259  -0.008134588   0.021367477
 O     -1.753244     -0.087669     -1.424669    0.00  -0.011218982   0.008348749  -0.003432288
 C     -2.789260     -0.190498     -0.805774    0.00  -0.008630724  -0.000519791  -0.005034641
 H     -3.802394     -0.136192     -1.220062    0.00  -0.000890637  -0.000253560  -0.000010275
 O     -2.918184     -0.380861      0.519286    0.00  -0.008847198  -0.001378303  -0.003096183
26
 Energy =      -0.276406593528
 C      2.088238     -1.619055     -0.360035    0.00   0.006095298  -0.006084575  -0.004958436
 C      2.911124     -0.340453     -0.158004    0.00  -0.003088135  -0.001110829   0.001757378
 C      2.151808      0.917677     -0.589488    0.00  -0.002601848  -0.000974021  -0.000520526
 C      1.034275      1.309888      0.382827    0.00  -0.000723895   0.007959099  -0.001097826
 C     -0.022939      0.278663      0.649276    0.00   0.001895164   0.006167475   0.007247287
 C      0.790258     -1.722552      0.420298    0.00   0.005647467  -0.018341843  -0.005164377
 H      2.854957      1.770555     -0.674809    0.00  -0.000022448  -0.000279937  -0.000422753
 H      3.249788     -0.252393      0.891127    0.00  -0.000763468  -0.000165972   0.000309394
 H      3.838326     -0.425921     -0.763210    0.00   0.000052434   0.000309735   0.000552157
 H      1.834320     -1.711082     -1.441446    0.00   0.000651373  -0.000205189  -0.000455727
 H      2.716326     -2.500020     -0.116637    0.00   0.001034904  -0.000197543  -0.000704823
 H      1.496116      1.569703      1.374785    0.00   0.000191843   0.000929649  -0.000270546
 H      0.919392     -1.511281      1.501216    0.00   0.000238509  -0.002775600  -0.000249121
 H      0.303734     -2.709174      0.329888    0.00   0.000458873  -0.001364371  -0.002093469
 H      1.727427      0.768006     -1.605544    0.00  -0.000388134  -0.000341106   0.000070850
 O     -0.723013      0.272990      1.649336    0.00  -0.003885122   0.008566615   0.003029369
 C      0.202635      2.485529     -0.127526    0.00   0.001569595   0.008477928  -0.003414560
 H     -0.567711      2.781011      0.599936    0.00   0.000172417   0.000909344  -0.000325138
 H      0.824269      3.366706     -0.316550    0.00   0.000194985   0.000619610  -0.000489634
 H     -0.310491      2.234044     -1.069930    0.00   0.000056265   0.000573297  -0.000204430
 H     -2.093885     -0.513653      1.091556    0.00  -0.000163081  -0.001913172  -0.001300604
 O     -0.184346     -0.819297     -0.206967    0.00   0.020399178  -0.005809167   0.018865715
 O     -1.759142     -0.083311     -1.426158    0.00  -0.009905059   0.007265441  -0.001997377
 C     -2.795579     -0.190769     -0.809358    0.00  -0.008309533  -0.000207401  -0.004563493
 H     -3.809806     -0.137855     -1.220797    0.00  -0.000779434  -0.000129024  -0.000146519
 O     -2.922913     -0.381773      0.517437    0.00  -0.008028148  -0.001878441  -0.003452790
26
 Energy =      -0.279273856102
 C      2.093269     -1.623992     -0.364010    0.00   0.005982137  -0.005780516  -0.004601233
 C      2.908608     -0.341329     -0.156527    0.00  -0.002953022  -0.001003221   0.001795556
 C      2.149592      0.916848     -0.589920    0.00  -0.002717527  -0.001017624  -0.000518969
 C      1.033632      1.316173      0.381987    0.00  -0.000798516   0.007174798  -0.000923897
 C     -0.020937      0.282967      0.655235    0.00   0.002840820   0.004312905   0.007051575
 C      0.795079     -1.736977      0.416264    0.00   0.005857627  -0.016430840  -0.004611653
 H      2.854606      1.767841     -0.679043    0.00  -0.000053118  -0.000273043  -0.000431191
 H      3.242187     -0.253922      0.894279    0.00  -0.000773667  -0.000145725   0.000315934
 H      3.838982     -0.422777     -0.757646    0.00   0.000067272   0.000323873   0.000578036
 H      1.840462     -1.713071     -1.445787    0.00   0.000594295  -0.000195164  -0.000415582
 H      2.726435     -2.502026     -0.123570    0.00   0.000994490  -0.000192348  -0.000693061
 H      1.497811      1.578822      1.372193    0.00   0.000152724   0.000907451  -0.000257766
 H      0.922002     -1.537913      1.499054    0.00   0.000291446  -0.002621757  -0.000225429
 H      0.307610     -2.721781      0.309561    0.00   0.000361468  -0.001109081  -0.001996783
 H      1.723478      0.764600     -1.604838    0.00  -0.000407702  -0.000346328   0.000076444
 O     -0.725376      0.278181      1.651059    0.00  -0.003689564   0.008087826   0.002535255
 C      0.203942      2.492364     -0.130357    0.00   0.001574685   0.007944716  -0.003383167
 H     -0.565976      2.789823      0.596732    0.00   0.000178636   0.000869919  -0.000322430
 H      0.826409      3.372515     -0.321290    0.00   0.000234187   0.000552087  -0.000467631
 H     -0.309956      2.239630     -1.071950    0.00   0.000053170   0.000553375  -0.000202688
 H     -2.095103     -0.529955      1.079500    0.00  -0.000128294  -0.001393312  -0.001161039
 O     -0.172741     -0.822392     -0.195878    0.00   0.017052320  -0.004263136   0.016837321
 O     -1.764943     -0.079093     -1.427030    0.00  -0.008753081   0.006307463  -0.000896147
 C     -2.802314     -0.190804     -0.812985    0.00  -0.007896309   0.000112674  -0.004152780
 H     -3.817080     -0.138682     -1.222658    0.00  -0.000691764  -0.000044185  -0.000225057
 O     -2.927716     -0.383089      0.515193    0.00  -0.007372712  -0.002330806  -0.003703618
26
 Energy =      -0.281862044154
 C      2.098682     -1.629123     -0.368100    0.00   0.005755593  -0.005359162  -0.004277001
 C      2.905960     -0.342194     -0.154856    0.00  -0.002782486  -0.000884272   0.001832455
 C      2.147056      0.915882     -0.590401    0.00  -0.002775423  -0.001075558  -0.000528387
 C      1.032898      1.322414      0.381224    0.00  -0.000776522   0.006394214  -0.000735818
 C     -0.018034      0.286316      0.661614    0.00   0.003394194   0.003049287   0.006772459
 C      0.800452     -1.751197      0.412155    0.00   0.005740132  -0.014535363  -0.004341108
 H      2.853890      1.764933     -0.683815    0.00  -0.000082746  -0.000263518  -0.000437893
 H      3.233731     -0.255394      0.897836    0.00  -0.000771393  -0.000126268   0.000318049
 H      3.839873     -0.419193     -0.751253    0.00   0.000078885   0.000328558   0.000596406
 H      1.846757     -1.715146     -1.450203    0.00   0.000557458  -0.000181886  -0.000383448
 H      2.737061     -2.504157     -0.130965    0.00   0.000931535  -0.000179527  -0.000654690
 H      1.499366      1.588580      1.369483    0.00   0.000130974   0.000866494  -0.000242887
 H      0.925381     -1.565472      1.496830    0.00   0.000325314  -0.002426262  -0.000229513
 H      0.310983     -2.733267      0.288326    0.00   0.000294766  -0.000896143  -0.001860506
 H      1.718916      0.760756     -1.604005    0.00  -0.000421723  -0.000353660   0.000081246
 O     -0.727823      0.283600      1.652675    0.00  -0.003388656   0.007607449   0.002162322
 C      0.205394      2.499373     -0.133434    0.00   0.001576762   0.007266676  -0.003289560
 H     -0.563994      2.799092      0.593236    0.00   0.000183501   0.000820005  -0.000315677
 H      0.829157      3.378174     -0.326293    0.00   0.000262952   0.000478558  -0.000444532
 H     -0.309373      2.245501     -1.074154    0.00   0.000054320   0.000515938  -0.000198363
 H     -2.096266     -0.542781      1.067720    0.00  -0.000114277  -0.000960889  -0.001007086
 O     -0.161912     -0.824956     -0.184863    0.00   0.014475001  -0.003268412   0.015159389
 O     -1.770622     -0.075034     -1.427343    0.00  -0.007736470   0.005484516  -0.000087170
 C     -2.809362     -0.190563     -0.816638    0.00  -0.007411130   0.000396717  -0.003773173
 H     -3.824262     -0.138844     -1.225359    0.00  -0.000618534   0.000010681  -0.000265666
 O     -2.932639     -0.384835      0.512573    0.00  -0.006882028  -0.002708172  -0.003849848
26
 Energy =      -0.284204182895
 C      2.104392     -1.634322     -0.372311    0.00   0.005455773  -0.004859594  -0.003989818
 C      2.903222     -0.343024     -0.152974    0.00  -0.002581823  -0.000759970   0.001862300
 C      2.144226      0.914750     -0.590948    0.00  -0.002772563  -0.001139855  -0.000549726
 C      1.032149      1.328530      0.380572    0.00  -0.000680623   0.005641139  -0.000548898
 C     -0.014429      0.288964      0.668333    0.00   0.003633727   0.002216154   0.006415892
 C      0.806171     -1.765028      0.407806    0.00   0.005447201  -0.012741698  -0.004205570
 H      2.852765      1.761851     -0.689169    0.00  -0.000109088  -0.000252736  -0.000444224
 H      3.224487     -0.256791      0.901789    0.00  -0.000758363  -0.000108701   0.000316045
 H      3.841006     -0.415226     -0.744024    0.00   0.000088043   0.000325537   0.000607633
 H      1.853363     -1.717267     -1.454737    0.00   0.000534832  -0.000166530  -0.000357797
 H      2.747962     -2.506325     -0.138556    0.00   0.000856636  -0.000161108  -0.000599165
 H      1.500907      1.598768      1.366694    0.00   0.000121630   0.000809158  -0.000226012
 H      0.929461     -1.593436      1.494309    0.00   0.000346225  -0.002213278  -0.000245759
 H      0.314010     -2.743668      0.266617    0.00   0.000248179  -0.000720204  -0.001706802
 H      1.713738      0.756406     -1.603041    0.00  -0.000429731  -0.000362553   0.000085209
 O     -0.730276      0.289227      1.654219    0.00  -0.003028255   0.007140199   0.001890209
 C      0.206999      2.506379     -0.136713    0.00   0.001575723   0.006502047  -0.003146696
 H     -0.561757      2.808679      0.589476    0.00   0.000186527   0.000761977  -0.000305631
 H      0.832473      3.383534     -0.331546    0.00   0.000280000   0.000404335  -0.000422177
 H     -0.308694      2.251444     -1.076518    0.00   0.000058209   0.000464398  -0.000191051
 H     -2.097547     -0.552258      1.056510    0.00  -0.000114708  -0.000618967  -0.000856095
 O     -0.151690     -0.827174     -0.173870    0.00   0.012438774  -0.002619628   0.013729167
 O     -1.776165     -0.071124     -1.427170    0.00  -0.006833982   0.004794645   0.000481529
 C     -2.816633     -0.190038     -0.820299    0.00  -0.006875555   0.000618088  -0.003414536
 H     -3.831366     -0.138495     -1.228688    0.00  -0.000553769   0.000044371  -0.000283335
 O     -2.937758     -0.387020      0.509609    0.00  -0.006533023  -0.002997227  -0.003894690
26
 Energy =      -0.286324951102
 C      2.110336     -1.639478     -0.376658    0.00   0.005116647  -0.004318553  -0.003732383
 C      2.900436     -0.343801     -0.150870    0.00  -0.002355515  -0.000635188   0.001879013
 C      2.141136      0.913428     -0.591581    0.00  -0.002711903  -0.001203013  -0.000581502
 C      1.031458      1.334461      0.380054    0.00  -0.000535390   0.004926222  -0.000375914
 C     -0.010312      0.291131      0.675313    0.00   0.003643336   0.001676478   0.006000378
 C      0.812108     -1.778367      0.403123    0.00   0.005076632  -0.011090617  -0.004111259
 H      2.851208      1.758605     -0.695167    0.00  -0.000130969  -0.000241548  -0.000450321
 H      3.214521     -0.258110      0.906128    0.00  -0.000736401  -0.000093351   0.000310187
 H      3.842397     -0.410927     -0.735952    0.00   0.000095485   0.000316805   0.000612221
 H      1.860412     -1.719391     -1.459432    0.00   0.000519397  -0.000149129  -0.000336349
 H      2.758965     -2.508447     -0.146136    0.00   0.000778066  -0.000139237  -0.000536211
 H      1.502550      1.609169      1.363861    0.00   0.000120274   0.000739665  -0.000207789
 H      0.934194     -1.621451      1.491344    0.00   0.000357232  -0.001998509  -0.000264459
 H      0.316811     -2.753045      0.244711    0.00   0.000214476  -0.000574500  -0.001550529
 H      1.707950      0.751475     -1.601941    0.00  -0.000431577  -0.000371798   0.000088323
 O     -0.732672      0.295057      1.655733    0.00  -0.002646017   0.006691912   0.001693318
 C      0.208768      2.513232     -0.140153    0.00   0.001570351   0.005699768  -0.002967716
 H     -0.559262      2.818450      0.585480    0.00   0.000187695   0.000698069  -0.000292665
 H      0.836291      3.388482     -0.337061    0.00   0.000285945   0.000333020  -0.000401222
 H     -0.307884      2.257246     -1.079010    0.00   0.000063071   0.000403132  -0.000180638
 H     -2.099101     -0.558715      1.046026    0.00  -0.000125611  -0.000360987  -0.000717845
 O     -0.141950     -0.829168     -0.162855    0.00   0.010771255  -0.002170801   0.012474318
 O     -1.781569     -0.067333     -1.426584    0.00  -0.006030230   0.004228412   0.000862220
 C     -2.824045     -0.189250     -0.823948    0.00  -0.006312306   0.000766208  -0.003076542
 H     -3.838384     -0.137763     -1.232509    0.00  -0.000494272   0.000063349  -0.000288045
 O     -2.943162     -0.389640      0.506339    0.00  -0.006289668  -0.003195808  -0.003848588
26
 Energy =      -0.288244148196
 C      2.116471     -1.644494     -0.381155    0.00   0.004762485  -0.003765407  -0.003493438
 C      2.897651     -0.344506     -0.148534    0.00  -0.002107841  -0.000513910   0.001877802
 C      2.137829      0.911892     -0.592326    0.00  -0.002600205  -0.001259091  -0.000620796
 C      1.030895      1.340153      0.379682    0.00  -0.000362618   0.004253854  -0.000226024
 C     -0.005852      0.292983      0.682480    0.00   0.003498378   0.001327052   0.005549133
 C      0.818192     -1.791154      0.398064    0.00   0.004682930  -0.009593003  -0.004008389
 H      2.849212      1.755198     -0.701880    0.00  -0.000147995  -0.000230380  -0.000455374
 H      3.203899     -0.259349      0.910841    0.00  -0.000707012  -0.000080047   0.000300664
 H      3.844069     -0.406338     -0.727032    0.00   0.000101653   0.000304082   0.000610535
 H      1.867988     -1.721464     -1.464322    0.00   0.000505379  -0.000129253  -0.000316945
 H      2.769966     -2.510452     -0.153578    0.00   0.000700910  -0.000115966  -0.000473465
 H      1.504388      1.619578      1.361016    0.00   0.000123556   0.000662887  -0.000189167
 H      0.939540     -1.649290      1.487861    0.00   0.000359777  -0.001790977  -0.000280480
 H      0.319470     -2.761454      0.222761    0.00   0.000189207  -0.000452821  -0.001400005
 H      1.701565      0.745893     -1.600703    0.00  -0.000427244  -0.000379899   0.000090545
 O     -0.734968      0.301090      1.657253    0.00  -0.002270769   0.006263120   0.001547791
 C      0.210712      2.519804     -0.143715    0.00   0.001558496   0.004897391  -0.002764338
 H     -0.556503      2.828272      0.581281    0.00   0.000187269   0.000630487  -0.000276965
 H      0.840530      3.392938     -0.342856    0.00   0.000282551   0.000266706  -0.000381531
 H     -0.306921      2.262706     -1.081588    0.00   0.000067286   0.000336759  -0.000167328
 H     -2.101074     -0.562580      1.036335    0.00  -0.000143721  -0.000174869  -0.000596180
 O     -0.132615     -0.831010     -0.151790    0.00   0.009356528  -0.001833955   0.011348103
 O     -1.786833     -0.063618     -1.425653    0.00  -0.005314558   0.003772270   0.001102393
 C     -2.831533     -0.188242     -0.827574    0.00  -0.005742995   0.000842357  -0.002762113
 H     -3.845293     -0.136758     -1.236746    0.00  -0.000438774   0.000071656  -0.000285786
 O     -2.948939     -0.392679      0.502808    0.00  -0.006112672  -0.003309041  -0.003728643
26
 Energy =       -0.28997866169
 C      2.122771     -1.649290     -0.385810    0.00   0.004408294  -0.003221268  -0.003262763
 C      2.894920     -0.345123     -0.145967    0.00  -0.001843463  -0.000399284   0.001855761
 C      2.134354      0.910122     -0.593205    0.00  -0.002446025  -0.001303830  -0.000663881
 C      1.030517      1.345557      0.379457    0.00  -0.000179641   0.003626242  -0.000104456
 C     -0.001186      0.294641      0.689775    0.00   0.003259517   0.001095984   0.005084120
 C      0.824384     -1.803350      0.392626    0.00   0.004292808  -0.008244702  -0.003875857
 H      2.846781      1.751628     -0.709377    0.00  -0.000160211  -0.000219403  -0.000458090
 H      3.192688     -0.260510      0.915908    0.00  -0.000671261  -0.000068423   0.000287636
 H      3.846050     -0.401493     -0.717262    0.00   0.000106654   0.000288622   0.000602716
 H      1.876125     -1.723414     -1.469422    0.00   0.000489058  -0.000106663  -0.000298000
 H      2.780900     -2.512284     -0.160823    0.00   0.000627655  -0.000093003  -0.000415696
 H      1.506502      1.629815      1.358178    0.00   0.000129164   0.000583409  -0.000171116
 H      0.945449     -1.676805      1.483833    0.00   0.000354828  -0.001595168  -0.000291625
 H      0.322049     -2.768933      0.200847    0.00   0.000169785  -0.000350364  -0.001258907
 H      1.694614      0.739597     -1.599327    0.00  -0.000416798  -0.000385398   0.000091805
 O     -0.737137      0.307335      1.658804    0.00  -0.001922595   0.005851845   0.001434015
 C      0.212842      2.525988     -0.147366    0.00   0.001537617   0.004122134  -0.002546255
 H     -0.553474      2.838021      0.576919    0.00   0.000185607   0.000561396  -0.000258710
 H      0.845107      3.396839     -0.348956    0.00   0.000272006   0.000206407  -0.000362634
 H     -0.305800      2.267648     -1.084204    0.00   0.000069632   0.000269499  -0.000151570
 H     -2.103606     -0.564301      1.027445    0.00  -0.000165860  -0.000046430  -0.000491412
 O     -0.123647     -0.832736     -0.140653    0.00   0.008121900  -0.001563163   0.010321564
 O     -1.791961     -0.059927     -1.424433    0.00  -0.004679382   0.003411114   0.001242417
 C     -2.839044     -0.187068     -0.831171    0.00  -0.005186081   0.000854874  -0.002474083
 H     -3.852063     -0.135582     -1.241365    0.00  -0.000387075   0.000071515  -0.000279866
 O     -2.955167     -0.396119      0.499055    0.00  -0.005966133  -0.003345941  -0.003555113
26
 Energy =      -0.291543546469
 C      2.129219     -1.653796     -0.390620    0.00   0.004062023  -0.002700480  -0.003033419
 C      2.892302     -0.345639     -0.143171    0.00  -0.001567804  -0.000293660   0.001811680
 C      2.130763      0.908103     -0.594244    0.00  -0.002258312  -0.001334238  -0.000706495
 C      1.030376      1.350627      0.379370    0.00   0.000000619   0.003045191  -0.000012838
 C      0.003583      0.296186      0.697150    0.00   0.002971784   0.000935822   0.004622617
 C      0.830664     -1.814925      0.386826    0.00   0.003917649  -0.007036266  -0.003708375
 H      2.843928      1.747892     -0.717707    0.00  -0.000167846  -0.000208646  -0.000457117
 H      3.180973     -0.261591      0.921302    0.00  -0.000629885  -0.000058127   0.000271302
 H      3.848372     -0.396423     -0.706656    0.00   0.000110349   0.000271261   0.000588718
 H      1.884811     -1.725145     -1.474730    0.00   0.000468646  -0.000081670  -0.000278597
 H      2.791728     -2.513901     -0.167873    0.00   0.000559206  -0.000071563  -0.000365079
 H      1.508959      1.639727      1.355356    0.00   0.000135522   0.000504978  -0.000154395
 H      0.951863     -1.703890      1.479260    0.00   0.000343445  -0.001412857  -0.000297311
 H      0.324602     -2.775509      0.179006    0.00   0.000154692  -0.000263787  -0.001128152
 H      1.687141      0.732545     -1.597820    0.00  -0.000400432  -0.000387089   0.000092054
 O     -0.739168      0.313795      1.660407    0.00  -0.001613443   0.005455480   0.001336860
 C      0.215162      2.531695     -0.151074    0.00   0.001505403   0.003392939  -0.002321127
 H     -0.550162      2.847577      0.572443    0.00   0.000183022   0.000492806  -0.000238182
 H      0.849946      3.400136     -0.355381    0.00   0.000256408   0.000152487  -0.000344050
 H     -0.304541      2.271923     -1.086804    0.00   0.000069374   0.000204773  -0.000133939
 H     -2.106823     -0.564297      1.019342    0.00  -0.000189000   0.000038198  -0.000402276
 O     -0.115036     -0.834365     -0.129434    0.00   0.007023628  -0.001337825   0.009377135
 O     -1.796961     -0.056199     -1.422964    0.00  -0.004118659   0.003130057   0.001314617
 C     -2.846541     -0.185789     -0.834739    0.00  -0.004655797   0.000815175  -0.002213952
 H     -3.858671     -0.134349     -1.246358    0.00  -0.000339392   0.000064092  -0.000272027
 O     -2.961907     -0.399935      0.495116    0.00  -0.005821198  -0.003317051  -0.003347653
26
 Energy =      -0.292952595318
 C      2.135803     -1.657948     -0.395574    0.00   0.003727126  -0.002212805  -0.002802028
 C      2.889863     -0.346043     -0.140160    0.00  -0.001287183  -0.000198672   0.001745503
 C      2.127114      0.905822     -0.595465    0.00  -0.002045659  -0.001348065  -0.000744047
 C      1.030515      1.355316      0.379404    0.00   0.000168913   0.002512548   0.000050161
 C      0.008375      0.297668      0.704570    0.00   0.002666367   0.000816523   0.004176049
 C      0.837021     -1.825852      0.380695    0.00   0.003561534  -0.005957842  -0.003508064
 H      2.840677      1.743991     -0.726897    0.00  -0.000171183  -0.000198045  -0.000451308
 H      3.168858     -0.262586      0.926983    0.00  -0.000583486  -0.000048925   0.000251956
 H      3.851064     -0.391157     -0.695251    0.00   0.000112494   0.000252556   0.000568420
 H      1.893998     -1.726550     -1.480231    0.00   0.000443761  -0.000055194  -0.000258364
 H      2.802417     -2.515277     -0.174761    0.00   0.000495720  -0.000052368  -0.000321916
 H      1.511815      1.649193      1.352546    0.00   0.000141509   0.000430310  -0.000139422
 H      0.958720     -1.730460      1.474166    0.00   0.000326925  -0.001244397  -0.000297714
 H      0.327176     -2.781199      0.157265    0.00   0.000142943  -0.000190870  -0.001007294
 H      1.679214      0.724715     -1.596189    0.00  -0.000378517  -0.000384084   0.000091291
 O     -0.741061      0.320476      1.662071    0.00  -0.001348245   0.005071893   0.001245153
 C      0.217673      2.536848     -0.154809    0.00   0.001460253   0.002722481  -0.002094858
 H     -0.546550      2.856833      0.567913    0.00   0.000179723   0.000426474  -0.000215800
 H      0.854975      3.402786     -0.362146    0.00   0.000237503   0.000104962  -0.000325470
 H     -0.303178      2.275412     -1.089327    0.00   0.000066230   0.000145039  -0.000115049
 H     -2.110827     -0.562926      1.012000    0.00  -0.000210547   0.000091148  -0.000327050
 O     -0.106794     -0.835912     -0.118127    0.00   0.006035951  -0.001150285   0.008504259
 O     -1.801845     -0.052372     -1.421273    0.00  -0.003626928   0.002915479   0.001343330
 C     -2.854003     -0.184473     -0.838284    0.00  -0.004161783   0.000735102  -0.001981849
 H     -3.865100     -0.133197     -1.251734    0.00  -0.000295972   0.000050118  -0.000263181
 O     -2.969199     -0.404099      0.491018    0.00  -0.005657447  -0.003233081  -0.003122708
26
 Energy =       -0.29421862068
 C      2.142511     -1.661692     -0.400649    0.00   0.003404707  -0.001765292  -0.002568072
 C      2.887674     -0.346325     -0.136955    0.00  -0.001008652  -0.000115407   0.001657811
 C      2.123469      0.903274     -0.596883    0.00  -0.001816046  -0.001343441  -0.000771925
 C      1.030969      1.359578      0.379536    0.00   0.000318815   0.002030097   0.000088023
 C      0.013135      0.299117      0.712006    0.00   0.002363421   0.000719831   0.003750467
 C      0.843445     -1.836101      0.374276    0.00   0.003225680  -0.005000834  -0.003279836
 H      2.837063      1.739926     -0.736939    0.00  -0.000170510  -0.000187453  -0.000439839
 H      3.156474     -0.263488      0.932898    0.00  -0.000532713  -0.000040713   0.000230017
 H      3.854148     -0.385728     -0.683113    0.00   0.000112857   0.000232907   0.000541743
 H      1.903617     -1.727520     -1.485895    0.00   0.000414870  -0.000028599  -0.000237313
 H      2.812937     -2.516396     -0.181540    0.00   0.000437114  -0.000035744  -0.000285416
 H      1.515115      1.658115      1.349738    0.00   0.000146254   0.000361154  -0.000126250
 H      0.965953     -1.756434      1.468583    0.00   0.000306705  -0.001089515  -0.000293290
 H      0.329818     -2.786022      0.135659    0.00   0.000133788  -0.000130112  -0.000895388
 H      1.670919      0.716116     -1.594450    0.00  -0.000351637  -0.000375810   0.000089564
 O     -0.742827      0.327378      1.663793    0.00  -0.001126485   0.004699941   0.001151041
 C      0.220371      2.541382     -0.158543    0.00   0.001401520   0.002118708  -0.001871989
 H     -0.542618      2.865690      0.563399    0.00   0.000175811   0.000363838  -0.000192114
 H      0.860131      3.404750     -0.369260    0.00   0.000216628   0.000063678  -0.000306790
 H     -0.301768      2.278027     -1.091712    0.00   0.000060295   0.000091840  -0.000095487
 H     -2.115695     -0.560474      1.005384    0.00  -0.000228599   0.000122222  -0.000264050
 O     -0.098949     -0.837393     -0.106730    0.00   0.005143881  -0.000998294   0.007696493
 O     -1.806630     -0.048374     -1.419373    0.00  -0.003198825   0.002755464   0.001345636
 C     -2.861418     -0.183188     -0.841818    0.00  -0.003709278   0.000625527  -0.001776811
 H     -3.871341     -0.132297     -1.257511    0.00  -0.000256888   0.000030289  -0.000253824
 O     -2.977065     -0.408583      0.486779    0.00  -0.005462714  -0.003104282  -0.002892405
26
 Energy =      -0.295353584143
 C      2.149329     -1.664977     -0.405817    0.00   0.003094943  -0.001363373  -0.002332959
 C      2.885806     -0.346479     -0.133586    0.00  -0.000739609  -0.000044578   0.001549547
 C      2.119895      0.900462     -0.598507    0.00  -0.001576824  -0.001318790  -0.000785930
 C      1.031767      1.363373      0.379741    0.00   0.000446012   0.001599261   0.000105542
 C      0.017823      0.300544      0.719430    0.00   0.002074940   0.000635151   0.003347926
 C      0.849927     -1.845650      0.367619    0.00   0.002910518  -0.004157957  -0.003029233
 H      2.833136      1.735706     -0.747788    0.00  -0.000166100  -0.000176647  -0.000422241
 H      3.143984     -0.264290      0.938976    0.00  -0.000478368  -0.000033478   0.000206036
 H      3.857636     -0.380173     -0.670347    0.00   0.000111316   0.000212641   0.000508754
 H      1.913580     -1.727954     -1.491687    0.00   0.000382856  -0.000003436  -0.000215671
 H      2.823257     -2.517249     -0.188262    0.00   0.000383281  -0.000021760  -0.000254320
 H      1.518892      1.666419      1.346917    0.00   0.000149053   0.000298486  -0.000114638
 H      0.973501     -1.781729      1.462560    0.00   0.000284223  -0.000947715  -0.000284550
 H      0.332575     -2.790002      0.114239    0.00   0.000126576  -0.000080411  -0.000791439
 H      1.662370      0.706786     -1.592618    0.00  -0.000320569  -0.000361972   0.000086925
 O     -0.744481      0.334501      1.665562    0.00  -0.000944030   0.004339538   0.001049460
 C      0.223242      2.545245     -0.162247    0.00   0.001329545   0.001585975  -0.001656046
 H     -0.538346      2.874068      0.558977    0.00   0.000171310   0.000306001  -0.000167762
 H      0.865353      3.405997     -0.376731    0.00   0.000194758   0.000028388  -0.000288061
 H     -0.300379      2.279701     -1.093892    0.00   0.000051939   0.000045961  -0.000075783
 H     -2.121471     -0.557155      0.999460    0.00  -0.000242026   0.000138876  -0.000211733
 O     -0.091534     -0.838831     -0.095241    0.00   0.004338842  -0.000881025   0.006949604
 O     -1.811336     -0.044128     -1.417266    0.00  -0.002828935   0.002639829   0.001332526
 C     -2.868789     -0.182009     -0.845354    0.00  -0.003299699   0.000495844  -0.001597073
 H     -3.877394     -0.131856     -1.263717    0.00  -0.000221974   0.000005460  -0.000244231
 O     -2.985507     -0.413353      0.482413    0.00  -0.005231979  -0.002940270  -0.002664652
26
 Energy =      -0.296368660797
 C      2.156239     -1.667768     -0.411045    0.00   0.002797850  -0.001011217  -0.002099221
 C      2.884328     -0.346501     -0.130098    0.00  -0.000487237   0.000013340   0.001422008
 C      2.116464      0.897400     -0.600333    0.00  -0.001334738  -0.001273019  -0.000782797
 C      1.032927      1.366666      0.379994    0.00   0.000547813   0.001220801   0.000108038
 C      0.022412      0.301947      0.726812    0.00   0.001807239   0.000556695   0.002968128
 C      0.856460     -1.854480      0.360787    0.00   0.002616458  -0.003422690  -0.002761601
 H      2.828960      1.731351     -0.759349    0.00  -0.000158225  -0.000165340  -0.000398404
 H      3.131581     -0.264990      0.945131    0.00  -0.000421452  -0.000027250   0.000180680
 H      3.861524     -0.374533     -0.657105    0.00   0.000107910   0.000192045   0.000469753
 H      1.923791     -1.727777     -1.497561    0.00   0.000348725   0.000018819  -0.000193781
 H      2.833345     -2.517833     -0.194971    0.00   0.000334139  -0.000010342  -0.000227314
 H      1.523158      1.674049      1.344071    0.00   0.000149362   0.000242724  -0.000104170
 H      0.981312     -1.806259      1.456153    0.00   0.000260791  -0.000818456  -0.000271984
 H      0.335495     -2.793172      0.093081    0.00   0.000120719  -0.000040848  -0.000694580
 H      1.653701      0.696804     -1.590714    0.00  -0.000286248  -0.000342535   0.000083389
 O     -0.746043      0.341842      1.667354    0.00  -0.000794984   0.003991409   0.000937718
 C      0.226270      2.548400     -0.165892    0.00   0.001245543   0.001125829  -0.001449826
 H     -0.533714      2.881900      0.554727    0.00   0.000166206   0.000253740  -0.000143431
 H      0.870585      3.406501     -0.384566    0.00   0.000172601  -0.000001218  -0.000269423
 H     -0.299096      2.280392     -1.095798    0.00   0.000041709   0.000007630  -0.000056406
 H     -2.128173     -0.553112      0.994190    0.00  -0.000250431   0.000146541  -0.000168677
 O     -0.084589     -0.840260     -0.083660    0.00   0.003616119  -0.000797192   0.006260351
 O     -1.815988     -0.039551     -1.414947    0.00  -0.002511830   0.002559893   0.001310319
 C     -2.876123     -0.181012     -0.848912    0.00  -0.002931445   0.000354000  -0.001440305
 H     -3.883264     -0.132116     -1.270387    0.00  -0.000190819  -0.000023319  -0.000234531
 O     -2.994512     -0.418372      0.477926    0.00  -0.004965777  -0.002750042  -0.002443931
26
 Energy =      -0.297274292942
 C      2.163219     -1.670040     -0.416295    0.00   0.002513572  -0.000711597  -0.001869970
 C      2.883306     -0.346394     -0.126547    0.00  -0.000257909   0.000058085   0.001277041
 C      2.113252      0.894117     -0.602343    0.00  -0.001095917  -0.001205856  -0.000760667
 C      1.034460      1.369430      0.380271    0.00   0.000622858   0.000894546   0.000100681
 C      0.026884      0.303318      0.734115    0.00   0.001562913   0.000481578   0.002609912
 C      0.863038     -1.862583      0.353851    0.00   0.002344032  -0.002788671  -0.002481878
 H      2.824620      1.726889     -0.771478    0.00  -0.000147166  -0.000153215  -0.000368592
 H      3.119488     -0.265590      0.951261    0.00  -0.000363142  -0.000022056   0.000154701
 H      3.865794     -0.368859     -0.643585    0.00   0.000102860   0.000171375   0.000425330
 H      1.934145     -1.726946     -1.503467    0.00   0.000313436   0.000036982  -0.000172039
 H      2.843174     -2.518153     -0.201695    0.00   0.000289614  -0.000001346  -0.000203290
 H      1.527903      1.680963      1.341196    0.00   0.000146830   0.000193909  -0.000094376
 H      0.989349     -1.829933      1.449435    0.00   0.000237528  -0.000701191  -0.000256038
 H      0.338626     -2.795584      0.072292    0.00   0.000115696  -0.000010576  -0.000604130
 H      1.645069      0.686294     -1.588762    0.00  -0.000249721  -0.000317746   0.000078899
 O     -0.747530      0.349396      1.669132    0.00  -0.000673293   0.003656673   0.000815092
 C      0.229428      2.550819     -0.169448    0.00   0.001151425   0.000737557  -0.001255582
 H     -0.528702      2.889143      0.550731    0.00   0.000160485   0.000207523  -0.000119804
 H      0.875771      3.406242     -0.392772    0.00   0.000150685  -0.000025508  -0.000251031
 H     -0.298010      2.280077     -1.097359    0.00   0.000030259  -0.000023297  -0.000037759
 H     -2.135797     -0.548425      0.989535    0.00  -0.000253998   0.000149039  -0.000133544
 O     -0.078154     -0.841726     -0.071987    0.00   0.002973294  -0.000744272   0.005625802
 O     -1.820617     -0.034547     -1.412403    0.00  -0.002242211   0.002508178   0.001282137
 C     -2.883432     -0.180278     -0.852511    0.00  -0.002600817   0.000206736  -0.001303835
 H     -3.888956     -0.133359     -1.277559    0.00  -0.000162797  -0.000054845  -0.000224739
 O     -3.004053     -0.423603      0.473325    0.00  -0.004668515  -0.002542005  -0.002232320
26
 Energy =      -0.298080266928
 C      2.170241     -1.671789     -0.421527    0.00   0.002242418  -0.000465523  -0.001648573
 C      2.882795     -0.346163     -0.123009    0.00  -0.000056653   0.000089652   0.001117332
 C      2.110335      0.890658     -0.604504    0.00  -0.000865847  -0.001118243  -0.000719439
 C      1.036365      1.371647      0.380552    0.00   0.000670995   0.000619212   0.000087957
 C      0.031224      0.304639      0.741292    0.00   0.001342243   0.000408643   0.002272354
 C      0.869655     -1.869964      0.346899    0.00   0.002093826  -0.002249244  -0.002194638
 H      2.820221      1.722371     -0.783975    0.00  -0.000133252  -0.000139970  -0.000333472
 H      3.107948     -0.266096      0.957246    0.00  -0.000304753  -0.000017894   0.000128900
 H      3.870413     -0.363208     -0.630036    0.00   0.000096553   0.000150865   0.000376421
 H      1.944529     -1.725457     -1.509349    0.00   0.000277802   0.000050307  -0.000150856
 H      2.852718     -2.518219     -0.208446    0.00   0.000249601   0.000005400  -0.000181462
 H      1.533090      1.687132      1.338301    0.00   0.000141339   0.000151841  -0.000084843
 H      0.997588     -1.852653      1.442497    0.00   0.000215333  -0.000595377  -0.000237120
 H      0.342011     -2.797308      0.052009    0.00   0.000111064   0.000011243  -0.000519590
 H      1.636652      0.675428     -1.586790    0.00  -0.000212109  -0.000288182   0.000073335
 O     -0.748959      0.357158      1.670849    0.00  -0.000573902   0.003336394   0.000682427
 C      0.232686      2.552493     -0.172889    0.00   0.001049646   0.000418575  -0.001075113
 H     -0.523295      2.895772      0.547070    0.00   0.000154151   0.000167531  -0.000097520
 H      0.880857      3.405209     -0.401360    0.00   0.000129416  -0.000044900  -0.000233007
 H     -0.297218      2.278751     -1.098504    0.00   0.000018283  -0.000047204  -0.000020191
 H     -2.144322     -0.543117      0.985464    0.00  -0.000253330   0.000148986  -0.000105104
 O     -0.072263     -0.843286     -0.060221    0.00   0.002409182  -0.000718280   0.005043068
 O     -1.825255     -0.029011     -1.409619    0.00  -0.002015090   0.002478117   0.001249276
 C     -2.890729     -0.179890     -0.856172    0.00  -0.002302916   0.000059838  -0.001184892
 H     -3.894470     -0.135898     -1.285279    0.00  -0.000137104  -0.000087835  -0.000214770
 O     -3.014091     -0.429008      0.468613    0.00  -0.004346897  -0.002323951  -0.002030478
26
 Energy =      -0.298795831792
 C      2.177269     -1.673028     -0.426701    0.00   0.001984842  -0.000271916  -0.001438469
 C      2.882842     -0.345822     -0.119575    0.00   0.000113209   0.000108407   0.000946671
 C      2.107795      0.887086     -0.606769    0.00  -0.000649372  -0.001012655  -0.000660906
 C      1.038627      1.373309      0.380822    0.00   0.000693262   0.000392323   0.000073365
 C      0.035419      0.305886      0.748284    0.00   0.001144205   0.000337776   0.001955400
 C      0.876313     -1.876637      0.340035    0.00   0.001866372  -0.001797160  -0.001904250
 H      2.815886      1.717864     -0.796583    0.00  -0.000116898  -0.000125391  -0.000294144
 H      3.097228     -0.266526      0.962953    0.00  -0.000247685  -0.000014718   0.000104078
 H      3.875330     -0.357649     -0.616758    0.00   0.000089494   0.000130739   0.000324321
 H      1.954817     -1.723351     -1.515151    0.00   0.000242461   0.000058576  -0.000130641
 H      2.861955     -2.518050     -0.215221    0.00   0.000213944   0.000010091  -0.000161415
 H      1.538654      1.692537      1.335410    0.00   0.000133036   0.000116155  -0.000075288
 H      1.006029     -1.874313      1.435448    0.00   0.000194891  -0.000500464  -0.000215625
 H      0.345692     -2.798433      0.032414    0.00   0.000106477   0.000025458  -0.000440635
 H      1.628649      0.664432     -1.584834    0.00  -0.000174580  -0.000254789   0.000066553
 O     -0.750349      0.365121      1.672444    0.00  -0.000493372   0.003031268   0.000541736
 C      0.236008      2.553425     -0.176187    0.00   0.000943064   0.000164681  -0.000909810
 H     -0.517486      2.901785      0.543817    0.00   0.000147242   0.000133672  -0.000077138
 H      0.885788      3.403403     -0.410335    0.00   0.000109121  -0.000059860  -0.000215414
 H     -0.296821      2.276426     -1.099165    0.00   0.000006476  -0.000064622  -0.000003997
 H     -2.153714     -0.537158      0.981954    0.00  -0.000249279   0.000148085  -0.000082287
 O     -0.066941     -0.845007     -0.048365    0.00   0.001922976  -0.000713876   0.004509323
 O     -1.829940     -0.022826     -1.406582    0.00  -0.001825971   0.002463823   0.001212290
 C     -2.898021     -0.179938     -0.859915    0.00  -0.002032462  -0.000081645  -0.001080831
 H     -3.899797     -0.140077     -1.293591    0.00  -0.000112788  -0.000120990  -0.000204455
 O     -3.024578     -0.434546      0.463797    0.00  -0.004008666  -0.002102969  -0.001838432
26
 Energy =      -0.299429861094
 C      2.184261     -1.673792     -0.431775    0.00   0.001741472  -0.000127464  -0.001243028
 C      2.883477     -0.345393     -0.116354    0.00   0.000250220   0.000115214   0.000770076
 C      2.105711      0.883481     -0.609078    0.00  -0.000450742  -0.000893258  -0.000588661
 C      1.041221      1.374419      0.381072    0.00   0.000691894   0.000210260   0.000059309
 C      0.039453      0.307031      0.755021    0.00   0.000967134   0.000269535   0.001660078
 C      0.883014     -1.882633      0.333385    0.00   0.001662111  -0.001424447  -0.001615068
 H      2.811762      1.713458     -0.808990    0.00  -0.000098671  -0.000109447  -0.000252130
 H      3.087599     -0.266903      0.968237    0.00  -0.000193368  -0.000012437   0.000080976
 H      3.880481     -0.352259     -0.604090    0.00   0.000082233   0.000111234   0.000270683
 H      1.964866     -1.720708     -1.520812    0.00   0.000207888   0.000062095  -0.000111778
 H      2.870865     -2.517672     -0.222007    0.00   0.000182424   0.000012949  -0.000143092
 H      1.544499      1.697167      1.332561    0.00   0.000122334   0.000086376  -0.000065597
 H      1.014689     -1.894796      1.428424    0.00   0.000176694  -0.000415894  -0.000191953
 H      0.349706     -2.799072      0.013736    0.00   0.000101695   0.000032944  -0.000367116
 H      1.621269      0.653578     -1.582940    0.00  -0.000138317  -0.000218888   0.000058476
 O     -0.751720      0.373270      1.673843    0.00  -0.000429970   0.002741538   0.000395830
 C      0.239352      2.553637     -0.179315    0.00   0.000834854  -0.000029722  -0.000760656
 H     -0.511274      2.907201      0.541039    0.00   0.000139831   0.000105609  -0.000059105
 H      0.890510      3.400832     -0.419701    0.00   0.000090077  -0.000070874  -0.000198253
 H     -0.296915      2.273139     -1.099277    0.00  -0.000004505  -0.000076182   0.000010569
 H     -2.163932     -0.530472      0.978993    0.00  -0.000242807   0.000147332  -0.000064241
 O     -0.062197     -0.846961     -0.036424    0.00   0.001513462  -0.000724737   0.004021975
 O     -1.834711     -0.015865     -1.403279    0.00  -0.001671014   0.002459918   0.001171725
 C     -2.905304     -0.180511     -0.863756    0.00  -0.001784413  -0.000213275  -0.000989333
 H     -3.904908     -0.146263     -1.302537    0.00  -0.000088792  -0.000153032  -0.000193546
 O     -3.035455     -0.440178      0.458889    0.00  -0.003661724  -0.001885347  -0.001656143
26
 Energy =      -0.299991035022
 C      2.191160     -1.674135     -0.436713    0.00   0.001513212  -0.000026754  -0.001065383
 C      2.884715     -0.344905     -0.113466    0.00   0.000354748   0.000111521   0.000593673
 C      2.104157      0.879939     -0.611362    0.00  -0.000273650  -0.000765800  -0.000507717
 C      1.044104      1.374988      0.381298    0.00   0.000670269   0.000068412   0.000047167
 C      0.043309      0.308042      0.761424    0.00   0.000809204   0.000204910   0.001388325
 C      0.889764     -1.887992      0.327096    0.00   0.001481391  -0.001122450  -0.001331635
 H      2.808006      1.709264     -0.820851    0.00  -0.000079333  -0.000092378  -0.000209298
 H      3.079328     -0.267260      0.972948    0.00  -0.000143189  -0.000010922   0.000060205
 H      3.885792     -0.347130     -0.592400    0.00   0.000075257   0.000092624   0.000217445
 H      1.974505     -1.717641     -1.526273    0.00   0.000174455   0.000061634  -0.000094602
 H      2.879425     -2.517123     -0.228795    0.00   0.000154780   0.000014234  -0.000126710
 H      1.550504      1.701019      1.329807    0.00   0.000109879   0.000061945  -0.000055832
 H      1.023606     -1.913962      1.421588    0.00   0.000161069  -0.000341101  -0.000166557
 H      0.354081     -2.799361     -0.003741    0.00   0.000096605   0.000034618  -0.000299052
 H      1.614729      0.643176     -1.581166    0.00  -0.000104480  -0.000182110   0.000049197
 O     -0.753099      0.381581      1.674962    0.00  -0.000383301   0.002467209   0.000248033
 C      0.242674      2.553163     -0.182247    0.00   0.000728400  -0.000171408  -0.000628195
 H     -0.504673      2.912053      0.538787    0.00   0.000132012   0.000082798  -0.000043727
 H      0.894974      3.397521     -0.429442    0.00   0.000072533  -0.000078435  -0.000181484
 H     -0.297582      2.268947     -1.098786    0.00  -0.000014074  -0.000082601   0.000023286
 H     -2.174926     -0.522946      0.976585    0.00  -0.000234870   0.000147164  -0.000050363
 O     -0.058022     -0.849224     -0.024417    0.00   0.001178264  -0.000744163   0.003578882
 O     -1.839609     -0.007993     -1.399704    0.00  -0.001547107   0.002461426   0.001128437
 C     -2.912559     -0.181697     -0.867705    0.00  -0.001554441  -0.000331117  -0.000908506
 H     -3.909749     -0.154827     -1.312147    0.00  -0.000064019  -0.000182730  -0.000181729
 O     -3.046646     -0.445861      0.453908    0.00  -0.003313615  -0.001676527  -0.001483860
26
 Energy =      -0.300487991479
 C      2.197898     -1.674126     -0.441481    0.00   0.001301380   0.000037293  -0.000908153
 C      2.886552     -0.344396     -0.111035    0.00   0.000428789   0.000099379   0.000424233
 C      2.103198      0.876560     -0.613549    0.00  -0.000121194  -0.000637167  -0.000423912
 C      1.047221      1.375037      0.381497    0.00   0.000632706  -0.000038578   0.000037493
 C      0.046958      0.308886      0.767408    0.00   0.000668732   0.000145117   0.001142553
 C      0.896573     -1.892762      0.321339    0.00   0.001324446  -0.000882003  -0.001058813
 H      2.804777      1.705405     -0.831804    0.00  -0.000059860  -0.000074756  -0.000167687
 H      3.072657     -0.267634      0.976941    0.00  -0.000098390  -0.000010028   0.000042160
 H      3.891179     -0.342364     -0.582055    0.00   0.000068883   0.000075238   0.000166681
 H      1.983528     -1.714278     -1.531475    0.00   0.000142508   0.000058280  -0.000079352
 H      2.887608     -2.516449     -0.235588    0.00   0.000130725   0.000014256  -0.000112636
 H      1.556527      1.704093      1.327211    0.00   0.000096470   0.000042235  -0.000046205
 H      1.032835     -1.931646      1.415133    0.00   0.000148190  -0.000275529  -0.000140000
 H      0.358839     -2.799453     -0.019674    0.00   0.000091237   0.000031472  -0.000236611
 H      1.609232      0.633548     -1.579578    0.00  -0.000074114  -0.000146241   0.000039062
 O     -0.754527      0.390009      1.675705    0.00  -0.000353600   0.002208470   0.000101948
 C      0.245927      2.552058     -0.184958    0.00   0.000627141  -0.000268038  -0.000512504
 H     -0.497716      2.916384      0.537097    0.00   0.000123896   0.000064551  -0.000031139
 H      0.899131      3.393515     -0.439519    0.00   0.000056733  -0.000083005  -0.000165065
 H     -0.298881      2.263942     -1.097657    0.00  -0.000021765  -0.000084669   0.000033949
 H     -2.186630     -0.514452      0.974743    0.00  -0.000226303   0.000147580  -0.000040262
 O     -0.054383     -0.851862     -0.012379    0.00   0.000913179  -0.000765878   0.003178529
 O     -1.844673      0.000915     -1.395858    0.00  -0.001451753   0.002463734   0.001083532
 C     -2.919744     -0.183574     -0.871760    0.00  -0.001339266  -0.000431719  -0.000836880
 H     -3.914227     -0.166113     -1.322428    0.00  -0.000037466  -0.000208905  -0.000168657
 O     -3.058052     -0.451553      0.448883    0.00  -0.002971304  -0.001481086  -0.001322261
26
 Energy =       -0.30092937513
 C      2.204390     -1.673845     -0.446055    0.00   0.001107722   0.000072693  -0.000773058
 C      2.888959     -0.343906     -0.109178    0.00   0.000475683   0.000081334   0.000268328
 C      2.102875      0.873444     -0.615574    0.00   0.000004356  -0.000514531  -0.000343090
 C      1.050501      1.374598      0.381673    0.00   0.000584085  -0.000116511   0.000030243
 C      0.050367      0.309530      0.772886    0.00   0.000544337   0.000091333   0.000925018
 C      0.903448     -1.896997      0.316301    0.00   0.001191270  -0.000693768  -0.000801712
 H      2.802214      1.702004     -0.841517    0.00  -0.000041390  -0.000057471  -0.000129247
 H      3.067770     -0.268065      0.980091    0.00  -0.000059928  -0.000009609   0.000026961
 H      3.896554     -0.338060     -0.573386    0.00   0.000063185   0.000059440   0.000120357
 H      1.991702     -1.710750     -1.536366    0.00   0.000112446   0.000053232  -0.000066122
 H      2.895378     -2.515706     -0.242416    0.00   0.000109974   0.000013374  -0.000101200
 H      1.562419      1.706399      1.324837    0.00   0.000082958   0.000026576  -0.000037024
 H      1.042444     -1.947663      1.409275    0.00   0.000138077  -0.000218632  -0.000113037
 H      0.363991     -2.799519     -0.033679    0.00   0.000085783   0.000024623  -0.000180063
 H      1.604945      0.624995     -1.578244    0.00  -0.000048035  -0.000112992   0.000028696
 O     -0.756058      0.398486      1.675970    0.00  -0.000340892   0.001966146  -0.000038749
 C      0.249065      2.550393     -0.187425    0.00   0.000534304  -0.000327764  -0.000413126
 H     -0.490464      2.920238      0.535979    0.00   0.000115583   0.000050116  -0.000021281
 H      0.902942      3.388885     -0.449846    0.00   0.000042934  -0.000084994  -0.000148983
 H     -0.300833      2.258249     -1.095882    0.00  -0.000027287  -0.000083243   0.000042370
 H     -2.198954     -0.504875      0.973479    0.00  -0.000217742   0.000148251  -0.000033651
 O     -0.051225     -0.854930     -0.000363    0.00   0.000711758  -0.000784907   0.002820092
 O     -1.849936      0.010969     -1.391755    0.00  -0.001382694   0.002462682   0.001038020
 C     -2.926790     -0.186196     -0.875906    0.00  -0.001136948  -0.000512204  -0.000773239
 H     -3.918213     -0.180389     -1.333347    0.00  -0.000008475  -0.000230467  -0.000154029
 O     -3.069548     -0.457205      0.443855    0.00  -0.002641066  -0.001302706  -0.001172475
26
 Energy =      -0.301323723904
 C      2.210551     -1.673375     -0.450419    0.00   0.000934193   0.000087487  -0.000660463
 C      2.891880     -0.343477     -0.107985    0.00   0.000499759   0.000060184   0.000131240
 C      2.103193      0.870669     -0.617385    0.00   0.000101952  -0.000404231  -0.000270247
 C      1.053865      1.373710      0.381828    0.00   0.000529302  -0.000171270   0.000025027
 C      0.053493      0.309950      0.777782    0.00   0.000434956   0.000044427   0.000737111
 C      0.910399     -1.900751      0.312168    0.00   0.001081377  -0.000548685  -0.000565289
 H      2.800412      1.699162     -0.849732    0.00  -0.000025054  -0.000041571  -0.000095527
 H      3.064764     -0.268590      0.982310    0.00  -0.000028320  -0.000009525   0.000014438
 H      3.901829     -0.334305     -0.566639    0.00   0.000058001   0.000045578   0.000080030
 H      1.998780     -1.707169     -1.540903    0.00   0.000084750   0.000047583  -0.000054814
 H      2.902697     -2.514949     -0.249336    0.00   0.000092244   0.000011973  -0.000092524
 H      1.568034      1.707949      1.322744    0.00   0.000070107   0.000014274  -0.000028626
 H      1.052504     -1.961817      1.404235    0.00   0.000130569  -0.000169865  -0.000086655
 H      0.369536     -2.799734     -0.045365    0.00   0.000080579   0.000015362  -0.000129677
 H      1.601962      0.617751     -1.577224    0.00  -0.000026708  -0.000083726   0.000018896
 O     -0.757762      0.406919      1.675663    0.00  -0.000344253   0.001741876  -0.000170561
 C      0.252052      2.548257     -0.189626    0.00   0.000452522  -0.000358738  -0.000329029
 H     -0.483005      2.923657      0.535418    0.00   0.000107158   0.000038760  -0.000013873
 H      0.906383      3.383729     -0.460292    0.00   0.000031389  -0.000084741  -0.000133293
 H     -0.303402      2.252032     -1.093491    0.00  -0.000030585  -0.000079210   0.000048392
 H     -2.211778     -0.494147      0.972798    0.00  -0.000209526   0.000148639  -0.000030188
 O     -0.048467     -0.858455      0.011553    0.00   0.000565354  -0.000798279   0.002503307
 O     -1.855422      0.022232     -1.387428    0.00  -0.001337269   0.002454792   0.000992343
 C     -2.933603     -0.189580     -0.880108    0.00  -0.000947090  -0.000570520  -0.000716451
 H     -3.921543     -0.197783     -1.344818    0.00   0.000022929  -0.000246479  -0.000137730
 O     -3.080974     -0.462770      0.438876    0.00  -0.002328338  -0.001144096  -0.001035836
26
 Energy =      -0.301679189024
 C      2.216298     -1.672794     -0.454570    0.00   0.000782458   0.000088823  -0.000569121
 C      2.895231     -0.343145     -0.107505    0.00   0.000505894   0.000038618   0.000015995
 C      2.104113      0.868280     -0.618956    0.00   0.000172172  -0.000310679  -0.000208829
 C      1.057229      1.372422      0.381966    0.00   0.000472685  -0.000208427   0.000021306
 C      0.056296      0.310130      0.782043    0.00   0.000339713   0.000004721   0.000578845
 C      0.917432     -1.904081      0.309098    0.00   0.000993499  -0.000438419  -0.000353667
 H      2.799395      1.696934     -0.856319    0.00  -0.000011744  -0.000027990  -0.000067450
 H      3.063622     -0.269235      0.983560    0.00  -0.000003526  -0.000009643   0.000004213
 H      3.906924     -0.331156     -0.561939    0.00   0.000053052   0.000033906   0.000046562
 H      2.004541     -1.703618     -1.545057    0.00   0.000059923   0.000042129  -0.000045154
 H      2.909531     -2.514232     -0.256426    0.00   0.000077257   0.000010424  -0.000086414
 H      1.573255      1.708768      1.320974    0.00   0.000058489   0.000004651  -0.000021290
 H      1.063079     -1.973944      1.400210    0.00   0.000125318  -0.000128655  -0.000062020
 H      0.375470     -2.800256     -0.054392    0.00   0.000076051   0.000005108  -0.000085601
 H      1.600281      0.611941     -1.576555    0.00  -0.000010183  -0.000059259   0.000010422
 O     -0.759714      0.415202      1.674702    0.00  -0.000361422   0.001537825  -0.000290575
 C      0.254861      2.545752     -0.191546    0.00   0.000383429  -0.000368551  -0.000258593
 H     -0.475451      2.926670      0.535367    0.00   0.000098696   0.000029833  -0.000008454
 H      0.909454      3.378176     -0.470674    0.00   0.000022290  -0.000082543  -0.000118112
 H     -0.306495      2.245488     -1.090557    0.00  -0.000031856  -0.000073428   0.000051952
 H     -2.224949     -0.482281      0.972677    0.00  -0.000201656   0.000148132  -0.000029339
 O     -0.046015     -0.862442      0.023285    0.00   0.000463819  -0.000805293   0.002228122
 O     -1.861146      0.034706     -1.382927    0.00  -0.001311844   0.002437613   0.000946053
 C     -2.940071     -0.193689     -0.884317    0.00  -0.000770825  -0.000605793  -0.000665302
 H     -3.924035     -0.218222     -1.356696    0.00   0.000055748  -0.000256285  -0.000119996
 O     -3.092154     -0.468205      0.434006    0.00  -0.002037437  -0.001006817  -0.000913554
26
 Energy =       -0.30200317143
 C      2.221575     -1.672168     -0.458513    0.00   0.000653311   0.000082314  -0.000496269
 C      2.898913     -0.342933     -0.107743    0.00   0.000499025   0.000018850  -0.000077059
 C      2.105550      0.866284     -0.620287    0.00   0.000217308  -0.000235744  -0.000160407
 C      1.060514      1.370788      0.382092    0.00   0.000417590  -0.000232891   0.000018569
 C      0.058740      0.310065      0.785648    0.00   0.000257738  -0.000028089   0.000448703
 C      0.924559     -1.907041      0.307200    0.00   0.000925472  -0.000355692  -0.000169382
 H      2.799108      1.695324     -0.861291    0.00  -0.000001901  -0.000017275  -0.000045247
 H      3.064218     -0.270011      0.983861    0.00   0.000015039  -0.000009821  -0.000004157
 H      3.911771     -0.328621     -0.559268    0.00   0.000048115   0.000024508   0.000019982
 H      2.008832     -1.700151     -1.548814    0.00   0.000038386   0.000037281  -0.000036757
 H      2.915866     -2.513593     -0.263763    0.00   0.000064725   0.000009030  -0.000082376
 H      1.578003      1.708890      1.319543    0.00   0.000048433  -0.000002910  -0.000015177
 H      1.074217     -1.983947      1.397342    0.00   0.000121839  -0.000094365  -0.000040266
 H      0.381780     -2.801215     -0.060538    0.00   0.000072585  -0.000004757  -0.000047767
 H      1.599792      0.607559     -1.576247    0.00   0.000001865  -0.000039795   0.000003745
 O     -0.761989      0.423231      1.673037    0.00  -0.000388928   0.001355966  -0.000396846
 C      0.257486      2.542987     -0.193174    0.00   0.000327403  -0.000363754  -0.000199730
 H     -0.467928      2.929299      0.535757    0.00   0.000090282   0.000022795  -0.000004463
 H      0.912179      3.372374     -0.480780    0.00   0.000015679  -0.000078701  -0.000103595
 H     -0.309967      2.238833     -1.087187    0.00  -0.000031489  -0.000066653   0.000053158
 H     -2.238294     -0.469391      0.973062    0.00  -0.000193846   0.000146193  -0.000030328
 O     -0.043770     -0.866866      0.034756    0.00   0.000396674  -0.000807085   0.001994169
 O     -1.867120      0.048326     -1.378324    0.00  -0.001301733   0.002410003   0.000897887
 C     -2.946087     -0.198427     -0.888473    0.00  -0.000610426  -0.000618541  -0.000618535
 H     -3.925521     -0.241409     -1.368784    0.00   0.000088040  -0.000259666  -0.000101489
 O     -3.102903     -0.473477      0.429298    0.00  -0.001771188  -0.000891203  -0.000806363
26
 Energy =      -0.302302015959
 C      2.226363     -1.671548     -0.462260    0.00   0.000546365   0.000071857  -0.000438259
 C      2.902822     -0.342847     -0.108658    0.00   0.000483641   0.000002368  -0.000149883
 C      2.107381      0.864648     -0.621405    0.00   0.000241035  -0.000178898  -0.000124893
 C      1.063654      1.368860      0.382209    0.00   0.000366196  -0.000248647   0.000016442
 C      0.060803      0.309763      0.788612    0.00   0.000188085  -0.000054758   0.000343984
 C      0.931792     -1.909686      0.306509    0.00   0.000874424  -0.000294395  -0.000012947
 H      2.799429      1.694279     -0.864800    0.00   0.000004568  -0.000009445  -0.000028560
 H      3.066339     -0.270909      0.983281    0.00   0.000028376  -0.000009910  -0.000011074
 H      3.916323     -0.326661     -0.558492    0.00   0.000043123   0.000017290  -0.000000378
 H      2.011599     -1.696799     -1.552177    0.00   0.000020344   0.000033123  -0.000029267
 H      2.921716     -2.513056     -0.271402    0.00   0.000054382   0.000007974  -0.000079736
 H      1.582245      1.708357      1.318446    0.00   0.000040033  -0.000008929  -0.000010307
 H      1.085943     -1.991826      1.395696    0.00   0.000119579  -0.000066288  -0.000022198
 H      0.388460     -2.802693     -0.063740    0.00   0.000070427  -0.000013173  -0.000015854
 H      1.600299      0.604483     -1.576278    0.00   0.000010011  -0.000025040  -0.000001068
 O     -0.764648      0.430924      1.670652    0.00  -0.000422699   0.001197325  -0.000488670
 C      0.259937      2.540070     -0.194509    0.00   0.000283634  -0.000349585  -0.000150109
 H     -0.460555      2.931560      0.536510    0.00   0.000082038   0.000017209  -0.000001362
 H      0.914612      3.366474     -0.490395    0.00   0.000011387  -0.000073566  -0.000089876
 H     -0.313643      2.232275     -1.083513    0.00  -0.000029958  -0.000059472   0.000052339
 H     -2.251633     -0.455684      0.973862    0.00  -0.000185682   0.000142475  -0.000032260
 O     -0.041644     -0.871692      0.045920    0.00   0.000354419  -0.000805754   0.001800312
 O     -1.873350      0.062969     -1.373705    0.00  -0.001301862   0.002372180   0.000846183
 C     -2.951567     -0.203649     -0.892516    0.00  -0.000468510  -0.000610738  -0.000575087
 H     -3.925881     -0.266847     -1.380862    0.00   0.000117373  -0.000256897  -0.000083180
 O     -3.113062     -0.478572      0.424795    0.00  -0.001530730  -0.000796306  -0.000714291
26
 Energy =      -0.302580879653
 C      2.230677     -1.670970     -0.465822    0.00   0.000460068   0.000059847  -0.000391279
 C      2.906862     -0.342879     -0.110185    0.00   0.000463489  -0.000010091  -0.000205850
 C      2.109470      0.863311     -0.622358    0.00   0.000247716  -0.000137920  -0.000101022
 C      1.066605      1.366689      0.382317    0.00   0.000319752  -0.000258688   0.000014713
 C      0.062482      0.309239      0.790981    0.00   0.000129661  -0.000076359   0.000261337
 C      0.939148     -1.912071      0.306998    0.00   0.000837246  -0.000249554   0.000117071
 H      2.800190      1.693714     -0.867090    0.00   0.000008135  -0.000004113  -0.000016692
 H      3.069735     -0.271898      0.981914    0.00   0.000037632  -0.000009777  -0.000016830
 H      3.920553     -0.325197     -0.559401    0.00   0.000038175   0.000012002  -0.000015619
 H      2.012890     -1.693587     -1.555156    0.00   0.000005749   0.000029523  -0.000022436
 H      2.927122     -2.512623     -0.279355    0.00   0.000045964   0.000007319  -0.000077836
 H      1.585995      1.707219      1.317654    0.00   0.000033231  -0.000013806  -0.000006576
 H      1.098260     -1.997685      1.395259    0.00   0.000118078  -0.000043656  -0.000008080
 H      0.395504     -2.804725     -0.064092    0.00   0.000069587  -0.000019577   0.000010634
 H      1.601556      0.602506     -1.576606    0.00   0.000014933  -0.000014378  -0.000004281
 O     -0.767730      0.438232      1.667563    0.00  -0.000458767   0.001061613  -0.000566444
 C      0.262237      2.537095     -0.195548    0.00   0.000250461  -0.000329947  -0.000107432
 H     -0.453429      2.933464      0.537557    0.00   0.000074115   0.000012722   0.000001273
 H      0.916819      3.360617     -0.499323    0.00   0.000009047  -0.000067548  -0.000077038
 H     -0.317353      2.226001     -1.079661    0.00  -0.000027698  -0.000052290   0.000050010
 H     -2.264797     -0.441433      0.974965    0.00  -0.000176772   0.000136915  -0.000034307
 O     -0.039562     -0.876877      0.056770    0.00   0.000329370  -0.000803366   0.001644361
 O     -1.879850      0.078471     -1.369164    0.00  -0.001307766   0.002325453   0.000789472
 C     -2.956465     -0.209176     -0.896398    0.00  -0.000347247  -0.000585331  -0.000534340
 H     -3.925069     -0.293906     -1.392713    0.00   0.000141526  -0.000248747  -0.000066110
 O     -3.122503     -0.483494      0.420520    0.00  -0.001315683  -0.000720246  -0.000636701
26
 Energy =       -0.30284379789
 C      2.234566     -1.670455     -0.469205    0.00   0.000392095   0.000047627  -0.000352050
 C      2.910958     -0.343008     -0.112248    0.00   0.000441400  -0.000018423  -0.000248751
 C      2.111685      0.862205     -0.623201    0.00   0.000241701  -0.000109847  -0.000086996
 C      1.069340      1.364316      0.382419    0.00   0.000278790  -0.000265105   0.000013321
 C      0.063793      0.308512      0.792824    0.00   0.000081358  -0.000093975   0.000197340
 C      0.946643     -1.914248      0.308592    0.00   0.000811071  -0.000217182   0.000223527
 H      2.801210      1.693528     -0.868452    0.00   0.000009454  -0.000000693  -0.000008795
 H      3.074161     -0.272932      0.979860    0.00   0.000043913  -0.000009333  -0.000021657
 H      3.924453     -0.324131     -0.561761    0.00   0.000033420   0.000008320  -0.000026934
 H      2.012837     -1.690537     -1.557762    0.00  -0.000005675   0.000026284  -0.000016150
 H      2.932148     -2.512286     -0.287588    0.00   0.000039243   0.000007026  -0.000076150
 H      1.589299      1.705522      1.317127    0.00   0.000027879  -0.000017837  -0.000003815
 H      1.111150     -2.001709      1.395958    0.00   0.000117007  -0.000025685   0.000002355
 H      0.402912     -2.807301     -0.061808    0.00   0.000069888  -0.000023919   0.000032317
 H      1.603306      0.601387     -1.577183    0.00   0.000017305  -0.000007068  -0.000006312
 O     -0.771247      0.445142      1.663809    0.00  -0.000493843   0.000947310  -0.000631325
 C      0.264414      2.534139     -0.196294    0.00   0.000225866  -0.000307594  -0.000069661
 H     -0.446619      2.935021      0.538846    0.00   0.000066671   0.000009048   0.000003726
 H      0.918872      3.354920     -0.507412    0.00   0.000008180  -0.000061063  -0.000065102
 H     -0.320947      2.220154     -1.075740    0.00  -0.000025052  -0.000045354   0.000046763
 H     -2.277635     -0.426939      0.976242    0.00  -0.000166893   0.000129700  -0.000035867
 O     -0.037467     -0.882386      0.067345    0.00   0.000315925  -0.000801414   0.001523186
 O     -1.886637      0.094657     -1.364797    0.00  -0.001316322   0.002271813   0.000726865
 C     -2.960783     -0.214816     -0.900088    0.00  -0.000247825  -0.000545822  -0.000496203
 H     -3.923120     -0.321909     -1.404147    0.00   0.000159021  -0.000236307  -0.000051123
 O     -3.131145     -0.488262      0.416474    0.00  -0.001124576  -0.000660509  -0.000572511
26
 Energy =      -0.303093886384
 C      2.238094     -1.670017     -0.472410    0.00   0.000339779   0.000035890  -0.000318121
 C      2.915055     -0.343205     -0.114777    0.00   0.000419351  -0.000022950  -0.000282105
 C      2.113910      0.861261     -0.623996    0.00   0.000226839  -0.000091688  -0.000080901
 C      1.071852      1.361775      0.382515    0.00   0.000243425  -0.000269274   0.000012301
 C      0.064765      0.307604      0.794222    0.00   0.000042122  -0.000108562   0.000148851
 C      0.954298     -1.916266      0.311186    0.00   0.000793551  -0.000194129   0.000310026
 H      2.802322      1.693627     -0.869173    0.00   0.000009162   0.000001379  -0.000004044
 H      3.079407     -0.273955      0.977212    0.00   0.000048144  -0.000008536  -0.000025755
 H      3.928028     -0.323359     -0.565354    0.00   0.000028984   0.000005909  -0.000035397
 H      2.011617     -1.687679     -1.560009    0.00  -0.000014348   0.000023236  -0.000010385
 H      2.936869     -2.512024     -0.296034    0.00   0.000034005   0.000007005  -0.000074354
 H      1.592227      1.703314      1.316818    0.00   0.000023801  -0.000021226  -0.000001835
 H      1.124586     -2.004131      1.397682    0.00   0.000116192  -0.000011614   0.000009716
 H      0.410688     -2.810382     -0.057175    0.00   0.000071063  -0.000026489   0.000049861
 H      1.605310      0.600890     -1.577961    0.00   0.000017734  -0.000002383  -0.000007560
 O     -0.775191      0.451666      1.659447    0.00  -0.000525565   0.000852076  -0.000684827
 C      0.266500      2.531259     -0.196742    0.00   0.000207881  -0.000284398  -0.000035155
 H     -0.440165      2.936238      0.540351    0.00   0.000059834   0.000005962   0.000006161
 H      0.920835      3.349473     -0.514550    0.00   0.000008305  -0.000054487  -0.000054043
 H     -0.324314      2.214841     -1.071829    0.00  -0.000022259  -0.000038802   0.000043151
 H     -2.290015     -0.412502      0.977567    0.00  -0.000156007   0.000121193  -0.000036615
 O     -0.035319     -0.888188      0.077714    0.00   0.000310349  -0.000800677   0.001433030
 O     -1.893738      0.111352     -1.360698    0.00  -0.001325825   0.002213519   0.000658162
 C     -2.964562     -0.220387     -0.903572    0.00  -0.000170384  -0.000495793  -0.000460963
 H     -3.920151     -0.350195     -1.415016    0.00   0.000169280  -0.000220816  -0.000038742
 O     -3.138943     -0.492905      0.412640    0.00  -0.000955412  -0.000614345  -0.000520458
26
 Energy =      -0.303333589485
 C      2.241334     -1.669662     -0.475434    0.00   0.000300453   0.000024974  -0.000287884
 C      2.919116     -0.343440     -0.117712    0.00   0.000398604  -0.000024226  -0.000308831
 C      2.116051      0.860419     -0.624798    0.00   0.000206255  -0.000080834  -0.000080980
 C      1.074150      1.359092      0.382607    0.00   0.000213521  -0.000272086   0.000011754
 C      0.065441      0.306531      0.795258    0.00   0.000010986  -0.000120898   0.000113130
 C      0.962131     -1.918167      0.314671    0.00   0.000782948  -0.000177939   0.000380328
 H      2.803379      1.693924     -0.869519    0.00   0.000007784   0.000002565  -0.000001706
 H      3.085304     -0.274910      0.974045    0.00   0.000051030  -0.000007404  -0.000029302
 H      3.931292     -0.322783     -0.569997    0.00   0.000024931   0.000004460  -0.000041867
 H      2.009425     -1.685048     -1.561906    0.00  -0.000020754   0.000020274  -0.000005149
 H      2.941363     -2.511813     -0.304606    0.00   0.000030055   0.000007152  -0.000072307
 H      1.594857      1.700639      1.316682    0.00   0.000020822  -0.000024120  -0.000000464
 H      1.138534     -2.005197      1.400308    0.00   0.000115575  -0.000000736   0.000014726
 H      0.418835     -2.813914     -0.050501    0.00   0.000072834  -0.000027717   0.000063941
 H      1.607365      0.600802     -1.578897    0.00   0.000016736   0.000000316  -0.000008330
 O     -0.779533      0.457830      1.654541    0.00  -0.000552475   0.000773217  -0.000728502
 C      0.268520      2.528494     -0.196886    0.00   0.000194827  -0.000261587  -0.000002688
 H     -0.434085      2.937123      0.542069    0.00   0.000053688   0.000003299   0.000008659
 H      0.922760      3.344343     -0.520665    0.00   0.000009015  -0.000048110  -0.000043816
 H     -0.327380      2.210126     -1.067973    0.00  -0.000019470  -0.000032706   0.000039614
 H     -2.301827     -0.398393      0.978818    0.00  -0.000144243   0.000111841  -0.000036470
 O     -0.033089     -0.894259      0.087966    0.00   0.000310309  -0.000801374   0.001369869
 O     -1.901184      0.128396     -1.356958    0.00  -0.001335646   0.002152791   0.000583786
 C     -2.967882     -0.225723     -0.906858    0.00  -0.000114175  -0.000438617  -0.000429065
 H     -3.916341     -0.378163     -1.425215    0.00   0.000172500  -0.000203493  -0.000029157
 O     -3.145884     -0.497452      0.408992    0.00  -0.000806108  -0.000579042  -0.000479289
26
 Energy =       -0.30356489942
 C      2.244354     -1.669392     -0.478270    0.00   0.000271632   0.000015017  -0.000260402
 C      2.923122     -0.343684     -0.121005    0.00   0.000379882  -0.000022890  -0.000331180
 C      2.118037      0.859630     -0.625657    0.00   0.000182356  -0.000075193  -0.000085704
 C      1.076250      1.356290      0.382701    0.00   0.000188835  -0.000274057   0.000011771
 C      0.065870      0.305312      0.796014    0.00  -0.000012958  -0.000131586   0.000087877
 C      0.970155     -1.919984      0.318937    0.00   0.000778000  -0.000166689   0.000437946
 H      2.804266      1.694354     -0.869713    0.00   0.000005711   0.000003182  -0.000001170
 H      3.091726     -0.275740      0.970420    0.00   0.000053074  -0.000005985  -0.000032458
 H      3.934262     -0.322322     -0.575539    0.00   0.000021275   0.000003716  -0.000046989
 H      2.006451     -1.682678     -1.563460    0.00  -0.000025367   0.000017353  -0.000000440
 H      2.945703     -2.511632     -0.313212    0.00   0.000027192   0.000007383  -0.000070010
 H      1.597273      1.697538      1.316680    0.00   0.000018775  -0.000026623   0.000000450
 H      1.152957     -2.005144      1.403710    0.00   0.000115181   0.000007587   0.000018065
 H      0.427353     -2.817830     -0.042087    0.00   0.000074974  -0.000028034   0.000075197
 H      1.609306      0.600947     -1.579956    0.00   0.000014732   0.000001566  -0.000008821
 O     -0.784230      0.463670      1.649159    0.00  -0.000573879   0.000708016  -0.000763775
 C      0.270495      2.525869     -0.196716    0.00   0.000185407  -0.000239952   0.000028581
 H     -0.428376      2.937683      0.544013    0.00   0.000048276   0.000000938   0.000011243
 H      0.924681      3.339572     -0.525720    0.00   0.000009992  -0.000042140  -0.000034369
 H     -0.330105      2.206041     -1.064193    0.00  -0.000016784  -0.000027092   0.000036456
 H     -2.312973     -0.384847      0.979891    0.00  -0.000131843   0.000102096  -0.000035521
 O     -0.030754     -0.900576      0.098194    0.00   0.000314387  -0.000803375   0.001329623
 O     -1.909005      0.145637     -1.353660    0.00  -0.001345735   0.002091612   0.000504687
 C     -2.970842     -0.230686     -0.909965    0.00  -0.000077778  -0.000377315  -0.000400906
 H     -3.911917     -0.405296     -1.434681    0.00   0.000169426  -0.000185427  -0.000022289
 O     -3.151979     -0.501928      0.405495    0.00  -0.000674763  -0.000552106  -0.000447862
26
 Energy =      -0.303789520486
 C      2.247215     -1.669205     -0.480912    0.00   0.000251129   0.000006073  -0.000235204
 C      2.927061     -0.343910     -0.124617    0.00   0.000363520  -0.000019588  -0.000350810
 C      2.119816      0.858859     -0.626611    0.00   0.000156904  -0.000073154  -0.000093817
 C      1.078176      1.353389      0.382801    0.00   0.000168950  -0.000275580   0.000012460
 C      0.066103      0.303961      0.796566    0.00  -0.000030536  -0.000141029   0.000071066
 C      0.978380     -1.921745      0.323886    0.00   0.000777759  -0.000158879   0.000485873
 H      2.804897      1.694862     -0.869937    0.00   0.000003226   0.000003449  -0.000001930
 H      3.098576     -0.276399      0.966383    0.00   0.000054623  -0.000004348  -0.000035359
 H      3.936955     -0.321907     -0.581865    0.00   0.000017989   0.000003467  -0.000051219
 H      2.002866     -1.680599     -1.564681    0.00  -0.000028620   0.000014476   0.000003756
 H      2.949951     -2.511459     -0.321763    0.00   0.000025227   0.000007636  -0.000067536
 H      1.599553      1.694052      1.316775    0.00   0.000017510  -0.000028813   0.000001020
 H      1.167818     -2.004185      1.407773    0.00   0.000115034   0.000013921   0.000020292
 H      0.436236     -2.822065     -0.032207    0.00   0.000077317  -0.000027789   0.000084219
 H      1.611004      0.601187     -1.581109    0.00   0.000012055   0.000001788  -0.000009147
 O     -0.789226      0.469215      1.643372    0.00  -0.000589640   0.000653947  -0.000791914
 C      0.272440      2.523399     -0.196221    0.00   0.000178669  -0.000219930   0.000059158
 H     -0.423026      2.937928      0.546206    0.00   0.000043596  -0.000001195   0.000013916
 H      0.926620      3.335184     -0.529708    0.00   0.000011041  -0.000036700  -0.000025651
 H     -0.332473      2.202593     -1.060484    0.00  -0.000014252  -0.000021973   0.000033854
 H     -2.323373     -0.372048      0.980692    0.00  -0.000119133   0.000092357  -0.000033984
 O     -0.028297     -0.907116      0.108483    0.00   0.000321686  -0.000806342   0.001308424
 O     -1.917226      0.162942     -1.350875    0.00  -0.001356237   0.002031517   0.000422244
 C     -2.973556     -0.235166     -0.912922    0.00  -0.000059210  -0.000314458  -0.000376744
 H     -3.907129     -0.431173     -1.443387    0.00   0.000161150  -0.000167480  -0.000017849
 O     -3.157254     -0.506350      0.402109    0.00  -0.000559758  -0.000531370  -0.000425119
26
 Energy =      -0.304008958361
 C      2.249967     -1.669099     -0.483356    0.00   0.000237021  -0.000001839  -0.000212086
 C      2.930929     -0.344098     -0.128519    0.00   0.000349566  -0.000014905  -0.000368906
 C      2.121356      0.858079     -0.627692    0.00   0.000131154  -0.000073522  -0.000104275
 C      1.079957      1.350406      0.382914    0.00   0.000153437  -0.000276827   0.000013843
 C      0.066192      0.302493      0.796980    0.00  -0.000042617  -0.000149546   0.000060987
 C      0.986808     -1.923464      0.329428    0.00   0.000781392  -0.000153305   0.000526544
 H      2.805211      1.695411     -0.870333    0.00   0.000000522   0.000003497  -0.000003592
 H      3.105785     -0.276850      0.961970    0.00   0.000055909  -0.000002566  -0.000038112
 H      3.939388     -0.321489     -0.588883    0.00   0.000015027   0.000003549  -0.000054878
 H      1.998814     -1.678836     -1.565577    0.00  -0.000030884   0.000011669   0.000007478
 H      2.954153     -2.511277     -0.330184    0.00   0.000023973   0.000007873  -0.000064985
 H      1.601770      1.690222      1.316941    0.00   0.000016891  -0.000030752   0.000001343
 H      1.183077     -2.002501      1.412393    0.00   0.000115167   0.000018746   0.000021820
 H      0.445473     -2.826553     -0.021104    0.00   0.000079750  -0.000027237   0.000091518
 H      1.612365      0.601417     -1.582334    0.00   0.000008971   0.000001315  -0.000009365
 O     -0.794460      0.474494      1.637252    0.00  -0.000600054   0.000608780  -0.000814008
 C      0.274366      2.521087     -0.195393    0.00   0.000173970  -0.000201748   0.000089316
 H     -0.418012      2.937870      0.548675    0.00   0.000039632  -0.000003149   0.000016656
 H      0.928588      3.331191     -0.532644    0.00   0.000012029  -0.000031853  -0.000017611
 H     -0.334491      2.199767     -1.056831    0.00  -0.000011908  -0.000017329   0.000031886
 H     -2.332967     -0.360134      0.981152    0.00  -0.000106468   0.000082934  -0.000032123
 O     -0.025708     -0.913852      0.118906    0.00   0.000331536  -0.000809859   0.001302487
 O     -1.925861      0.180184     -1.348658    0.00  -0.001367149   0.001973470   0.000338216
 C     -2.976139     -0.239081     -0.915767    0.00  -0.000056072  -0.000252140  -0.000356628
 H     -3.902232     -0.455470     -1.451338    0.00   0.000148936  -0.000150276  -0.000015422
 O     -3.161755     -0.510725      0.398798    0.00  -0.000459732  -0.000514980  -0.000410103
26
 Energy =      -0.304224547967
 C      2.252649     -1.669068     -0.485601    0.00   0.000227632  -0.000008743  -0.000190947
 C      2.934723     -0.344234     -0.132687    0.00   0.000337872  -0.000009347  -0.000386257
 C      2.122640      0.857273     -0.628919    0.00   0.000105941  -0.000075400  -0.000116254
 C      1.081620      1.347357      0.383049    0.00   0.000141768  -0.000277965   0.000015930
 C      0.066188      0.300921      0.797317    0.00  -0.000050067  -0.000157286   0.000056088
 C      0.995437     -1.925151      0.335483    0.00   0.000788102  -0.000148986   0.000561766
 H      2.805174      1.695973     -0.871000    0.00  -0.000002273   0.000003408  -0.000005842
 H      3.113300     -0.277068      0.957208    0.00   0.000057073  -0.000000711  -0.000040793
 H      3.941577     -0.321032     -0.596518    0.00   0.000012338   0.000003835  -0.000058186
 H      1.994412     -1.677401     -1.566160    0.00  -0.000032457   0.000008963   0.000010776
 H      2.958343     -2.511076     -0.338419    0.00   0.000023251   0.000008078  -0.000062457
 H      1.603986      1.686088      1.317154    0.00   0.000016787  -0.000032489   0.000001486
 H      1.198694     -2.000239      1.417477    0.00   0.000115573   0.000022475   0.000022931
 H      0.455046     -2.831233     -0.008986    0.00   0.000082195  -0.000026536   0.000097516
 H      1.613327      0.601562     -1.583611    0.00   0.000005671   0.000000397  -0.000009500
 O     -0.799865      0.479529      1.630867    0.00  -0.000605656   0.000570573  -0.000831023
 C      0.276281      2.518934     -0.194223    0.00   0.000170861  -0.000185398   0.000119141
 H     -0.413305      2.937525      0.551445    0.00   0.000036339  -0.000004954   0.000019434
 H      0.930588      3.327588     -0.534563    0.00   0.000012902  -0.000027602  -0.000010203
 H     -0.336177      2.197534     -1.053206    0.00  -0.000009758  -0.000013137   0.000030557
 H     -2.341720     -0.349189      0.981219    0.00  -0.000094201   0.000074039  -0.000030215
 O     -0.022976     -0.920752      0.129515    0.00   0.000343311  -0.000813417   0.001308233
 O     -1.934909      0.197253     -1.347043    0.00  -0.001378178   0.001917761   0.000254601
 C     -2.978698     -0.242383     -0.918536    0.00  -0.000065598  -0.000191930  -0.000340412
 H     -3.897463     -0.477961     -1.458563    0.00   0.000134094  -0.000134179  -0.000014526
 O     -3.165537     -0.515054      0.395526    0.00  -0.000373522  -0.000501448  -0.000401842
26
 Energy =      -0.304437436611
 C      2.255286     -1.669106     -0.487652    0.00   0.000221511  -0.000014692  -0.000171723
 C      2.938446     -0.344305     -0.137100    0.00   0.000328136  -0.000003318  -0.000403377
 C      2.123662      0.856432     -0.630303    0.00   0.000081763  -0.000078155  -0.000129084
 C      1.083192      1.344258      0.383214    0.00   0.000133398  -0.000279000   0.000018641
 C      0.066132      0.299256      0.797622    0.00  -0.000053797  -0.000164355   0.000055014
 C      1.004255     -1.926806      0.341982    0.00   0.000796997  -0.000145107   0.000592833
 H      2.804769      1.696529     -0.872006    0.00  -0.000005076   0.000003228  -0.000008442
 H      3.121081     -0.277038      0.952121    0.00   0.000058193   0.000001163  -0.000043454
 H      3.943536     -0.320515     -0.604713    0.00   0.000009868   0.000004227  -0.000061288
 H      1.989751     -1.676299     -1.566443    0.00  -0.000033572   0.000006385   0.000013711
 H      2.962541     -2.510848     -0.346426    0.00   0.000022891   0.000008243  -0.000060023
 H      1.606252      1.681687      1.317400    0.00   0.000017084  -0.000034071   0.000001507
 H      1.214627     -1.997510      1.422946    0.00   0.000116208   0.000025444   0.000023795
 H      0.464935     -2.836047      0.003973    0.00   0.000084600  -0.000025767   0.000102548
 H      1.613852      0.601574     -1.584925    0.00   0.000002308  -0.000000771  -0.000009562
 O     -0.805380      0.484334      1.624282    0.00  -0.000607149   0.000537680  -0.000843806
 C      0.278190      2.516934     -0.192712    0.00   0.000169071  -0.000170756   0.000148624
 H     -0.408872      2.936912      0.554536    0.00   0.000033662  -0.000006614   0.000022219
 H      0.932620      3.324362     -0.535519    0.00   0.000013641  -0.000023919  -0.000003380
 H     -0.337556      2.195856     -1.049579    0.00  -0.000007801  -0.000009346   0.000029818
 H     -2.349625     -0.339254      0.980861    0.00  -0.000082637   0.000065782  -0.000028499
 O     -0.020100     -0.927782      0.140342    0.00   0.000356367  -0.000816462   0.001322217
 O     -1.944352      0.214052     -1.346041    0.00  -0.001388577   0.001864033   0.000173533
 C     -2.981327     -0.245050     -0.921267    0.00  -0.000084854  -0.000134925  -0.000327793
 H     -3.893026     -0.498514     -1.465115    0.00   0.000117845  -0.000119332  -0.000014682
 O     -3.168670     -0.519327      0.392259    0.00  -0.000300084  -0.000489594  -0.000399347
26
 Energy =      -0.304648545521
 C      2.257894     -1.669205     -0.489517    0.00   0.000217410  -0.000019740  -0.000154294
 C      2.942099     -0.344309     -0.141745    0.00   0.000319950   0.000002837  -0.000420542
 C      2.124426      0.855552     -0.631848    0.00   0.000058874  -0.000081313  -0.000142280
 C      1.084698      1.341120      0.383415    0.00   0.000127704  -0.000279975   0.000021898
 C      0.066058      0.297512      0.797931    0.00  -0.000054726  -0.000170728   0.000056545
 C      1.013250     -1.928423      0.348863    0.00   0.000807133  -0.000141006   0.000620553
 H      2.803994      1.697067     -0.873388    0.00  -0.000007829   0.000002993  -0.000011208
 H      3.129099     -0.276756      0.946723    0.00   0.000059309   0.000003005  -0.000046131
 H      3.945276     -0.319928     -0.613423    0.00   0.000007557   0.000004650  -0.000064270
 H      1.984896     -1.675524     -1.566445    0.00  -0.000034400   0.000003953   0.000016345
 H      2.966752     -2.510589     -0.354185    0.00   0.000022741   0.000008367  -0.000057723
 H      1.608607      1.677050      1.317667    0.00   0.000017677  -0.000035532   0.000001444
 H      1.230836     -1.994394      1.428730    0.00   0.000116987   0.000027934   0.000024499
 H      0.475114     -2.840947      0.017633    0.00   0.000086922  -0.000024951   0.000106864
 H      1.613924      0.601427     -1.586263    0.00  -0.000001028  -0.000002054  -0.000009558
 O     -0.810951      0.488923      1.617550    0.00  -0.000605245   0.000508707  -0.000853114
 C      0.280099      2.515080     -0.190862    0.00   0.000168414  -0.000157535   0.000177686
 H     -0.404675      2.936055      0.557960    0.00   0.000031537  -0.000008134   0.000024989
 H      0.934682      3.321493     -0.535574    0.00   0.000014270  -0.000020745   0.000002909
 H     -0.338658      2.194690     -1.045920    0.00  -0.000006021  -0.000005905   0.000029594
 H     -2.356701     -0.330330      0.980067    0.00  -0.000072006   0.000058186  -0.000027140
 O     -0.017082     -0.934906      0.151403    0.00   0.000370053  -0.000818388   0.001341239
 O     -1.954156      0.230504     -1.345637    0.00  -0.001397168   0.001811386   0.000097059
 C     -2.984096     -0.247086     -0.923992    0.00  -0.000110901  -0.000081778  -0.000318300
 H     -3.889080     -0.517079     -1.471063    0.00   0.000101221  -0.000105703  -0.000015471
 O     -3.171230     -0.523537      0.388969    0.00  -0.000238433  -0.000478534  -0.000401592
26
 Energy =      -0.304858533294
 C      2.260479     -1.669357     -0.491206    0.00   0.000214274  -0.000023981  -0.000138523
 C      2.945684     -0.344242     -0.146611    0.00   0.000312848   0.000008872  -0.000437870
 C      2.124940      0.854632     -0.633554    0.00   0.000037321  -0.000084560  -0.000155474
 C      1.086159      1.337954      0.383658    0.00   0.000124096  -0.000280818   0.000025583
 C      0.065990      0.295700      0.798269    0.00  -0.000053737  -0.000176350   0.000059670
 C      1.022404     -1.929993      0.356075    0.00   0.000817539  -0.000136139   0.000645414
 H      2.802860      1.697582     -0.875160    0.00  -0.000010498   0.000002723  -0.000014012
 H      3.137333     -0.276227      0.941027    0.00   0.000060422   0.000004779  -0.000048844
 H      3.946805     -0.319270     -0.622616    0.00   0.000005343   0.000005051  -0.000067178
 H      1.979890     -1.675065     -1.566181    0.00  -0.000035063   0.000001671   0.000018739
 H      2.970974     -2.510299     -0.361687    0.00   0.000022668   0.000008452  -0.000055563
 H      1.611081      1.672205      1.317948    0.00   0.000018469  -0.000036902   0.000001325
 H      1.247285     -1.990942      1.434773    0.00   0.000117807   0.000030154   0.000025066
 H      0.485559     -2.845888      0.031886    0.00   0.000089125  -0.000024069   0.000110644
 H      1.613544      0.601110     -1.587617    0.00  -0.000004277  -0.000003357  -0.000009490
 O     -0.816532      0.493307      1.610716    0.00  -0.000600646   0.000482502  -0.000859596
 C      0.282015      2.513364     -0.188677    0.00   0.000168775  -0.000145389   0.000206234
 H     -0.400675      2.934982      0.561727    0.00   0.000029895  -0.000009502   0.000027722
 H      0.936776      3.318956     -0.534793    0.00   0.000014821  -0.000018002   0.000008719
 H     -0.339513      2.193993     -1.042198    0.00  -0.000004396  -0.000002749   0.000029795
 H     -2.362995     -0.322387      0.978840    0.00  -0.000062446   0.000051212  -0.000026213
 O     -0.013925     -0.942090      0.162695    0.00   0.000383713  -0.000818606   0.001362353
 O     -1.964273      0.246545     -1.345794    0.00  -0.001402401   0.001758622   0.000026958
 C     -2.987057     -0.248512     -0.926736    0.00  -0.000141010  -0.000032836  -0.000311373
 H     -3.885735     -0.533670     -1.476484    0.00   0.000084993  -0.000093165  -0.000016571
 O     -3.173299     -0.527672      0.385631    0.00  -0.000187633  -0.000467614  -0.000407514
26
 Energy =      -0.305067778781
 C      2.263043     -1.669556     -0.492734    0.00   0.000211252  -0.000027522  -0.000124210
 C      2.949205     -0.344108     -0.151693    0.00   0.000306338   0.000014593  -0.000455353
 C      2.125217      0.853672     -0.635418    0.00   0.000017013  -0.000087677  -0.000168395
 C      1.087592      1.334768      0.383948    0.00   0.000122023  -0.000281431   0.000029554
 C      0.065946      0.293828      0.798649    0.00  -0.000051657  -0.000181159   0.000063519
 C      1.031701     -1.931502      0.363578    0.00   0.000827285  -0.000130116   0.000667638
 H      2.801379      1.698070     -0.877325    0.00  -0.000013070   0.000002427  -0.000016768
 H      3.145770     -0.275460      0.935034    0.00   0.000061514   0.000006465  -0.000051605
 H      3.948129     -0.318546     -0.632272    0.00   0.000003171   0.000005392  -0.000070034
 H      1.974755     -1.674907     -1.565668    0.00  -0.000035639  -0.000000466   0.000020953
 H      2.975195     -2.509980     -0.368936    0.00   0.000022563   0.000008499  -0.000053532
 H      1.613692      1.667168      1.318240    0.00   0.000019383  -0.000038205   0.000001170
 H      1.263942     -1.987178      1.441030    0.00   0.000118546   0.000032270   0.000025486
 H      0.496250     -2.850836      0.046657    0.00   0.000091184  -0.000023079   0.000114008
 H      1.612717      0.600623     -1.588981    0.00  -0.000007405  -0.000004613  -0.000009367
 O     -0.822091      0.497494      1.603810    0.00  -0.000593976   0.000458121  -0.000863791
 C      0.283947      2.511780     -0.186166    0.00   0.000170083  -0.000133923   0.000234188
 H     -0.396831      2.933718      0.565841    0.00   0.000028670  -0.000010707   0.000030399
 H      0.938907      3.316725     -0.533239    0.00   0.000015333  -0.000015612   0.000014104
 H     -0.340149      2.193729     -1.038386    0.00  -0.000002901   0.000000192   0.000030333
 H     -2.368569     -0.315377      0.977197    0.00  -0.000053994   0.000044793  -0.000025715
 O     -0.010639     -0.949304      0.174209    0.00   0.000396774  -0.000816551   0.001383047
 O     -1.974642      0.262132     -1.346458    0.00  -0.001402593   0.001704456  -0.000035403
 C     -2.990240     -0.249364     -0.929519    0.00  -0.000172817   0.000011819  -0.000306394
 H     -3.883058     -0.548349     -1.481459    0.00   0.000069674  -0.000081543  -0.000017766
 O     -3.174960     -0.531722      0.382225    0.00  -0.000146754  -0.000456423  -0.000416068
26
 Energy =      -0.305276392145
 C      2.265579     -1.669795     -0.494113    0.00   0.000207695  -0.000030479  -0.000111154
 C      2.952663     -0.343909     -0.156992    0.00   0.000299948   0.000019878  -0.000472918
 C      2.125269      0.852677     -0.637434    0.00  -0.000002220  -0.000090538  -0.000180874
 C      1.089011      1.331564      0.384288    0.00   0.000120980  -0.000281691   0.000033685
 C      0.065931      0.291907      0.799076    0.00  -0.000049170  -0.000185063   0.000067436
 C      1.041126     -1.932934      0.371340    0.00   0.000835579  -0.000122671   0.000687332
 H      2.799569      1.698530     -0.879872    0.00  -0.000015539   0.000002111  -0.000019420
 H      3.154406     -0.274465      0.928744    0.00   0.000062553   0.000008047  -0.000054420
 H      3.949248     -0.317765     -0.642384    0.00   0.000000984   0.000005645  -0.000072830
 H      1.969502     -1.675036     -1.564922    0.00  -0.000036173  -0.000002471   0.000023037
 H      2.979400     -2.509636     -0.375943    0.00   0.000022348   0.000008506  -0.000051595
 H      1.616455      1.661950      1.318542    0.00   0.000020352  -0.000039460   0.000000990
 H      1.280781     -1.983107      1.447465    0.00   0.000119092   0.000034383   0.000025728
 H      0.507171     -2.855760      0.061894    0.00   0.000093071  -0.000021933   0.000117031
 H      1.611458      0.599974     -1.590351    0.00  -0.000010404  -0.000005789  -0.000009189
 O     -0.827610      0.501494      1.596852    0.00  -0.000585769   0.000434825  -0.000866136
 C      0.285903      2.510323     -0.183333    0.00   0.000172289  -0.000122739   0.000261487
 H     -0.393104      2.932292      0.570307    0.00   0.000027800  -0.000011739   0.000033009
 H      0.941085      3.314777     -0.530969    0.00   0.000015846  -0.000013496   0.000019120
 H     -0.340587      2.193870     -1.034460    0.00  -0.000001504   0.000002983   0.000031130
 H     -2.373496     -0.309245      0.975163    0.00  -0.000046621   0.000038841  -0.000025581
 O     -0.007233     -0.956520      0.185928    0.00   0.000408754  -0.000811783   0.001401248
 O     -1.985197      0.277233     -1.347566    0.00  -0.001396128   0.001647774  -0.000089183
 C     -2.993660     -0.249682     -0.932356    0.00  -0.000204420   0.000052230  -0.000302729
 H     -3.881079     -0.561205     -1.486068    0.00   0.000055534  -0.000070676  -0.000018927
 O     -3.176292     -0.535683      0.378735    0.00  -0.000114876  -0.000444694  -0.000426276
26
 Energy =      -0.305484252758
 C      2.268082     -1.670068     -0.495358    0.00   0.000203159  -0.000032970  -0.000099140
 C      2.956059     -0.343651     -0.162512    0.00   0.000293256   0.000024643  -0.000490437
 C      2.125105      0.851647     -0.639600    0.00  -0.000020594  -0.000093075  -0.000192813
 C      1.090425      1.328347      0.384680    0.00   0.000120534  -0.000281501   0.000037872
 C      0.065946      0.289945      0.799550    0.00  -0.000046812  -0.000187979   0.000070933
 C      1.050666     -1.934274      0.379340    0.00   0.000841808  -0.000113699   0.000704522
 H      2.797441      1.698964     -0.882791    0.00  -0.000017907   0.000001782  -0.000021937
 H      3.163240     -0.273255      0.922147    0.00   0.000063498   0.000009517  -0.000057295
 H      3.950160     -0.316938     -0.652955    0.00  -0.000001266   0.000005794  -0.000075548
 H      1.964129     -1.675438     -1.563955    0.00  -0.000036687  -0.000004360   0.000025030
 H      2.983572     -2.509271     -0.382722    0.00   0.000021969   0.000008472  -0.000049723
 H      1.619376      1.656553      1.318853    0.00   0.000021322  -0.000040678   0.000000787
 H      1.297783     -1.978719      1.454053    0.00   0.000119352   0.000036561   0.000025760
 H      0.518308     -2.860637      0.077570    0.00   0.000094770  -0.000020589   0.000119755
 H      1.609776      0.599171     -1.591726    0.00  -0.000013279  -0.000006866  -0.000008963
 O     -0.833078      0.505313      1.589852    0.00  -0.000576467   0.000412072  -0.000866974
 C      0.287895      2.508992     -0.180182    0.00   0.000175349  -0.000111468   0.000288093
 H     -0.389454      2.930732      0.575130    0.00   0.000027231  -0.000012589   0.000035545
 H      0.943324      3.313089     -0.528028    0.00   0.000016398  -0.000011590   0.000023823
 H     -0.340845      2.194396     -1.030396    0.00  -0.000000175   0.000005685   0.000032117
 H     -2.377853     -0.303935      0.972767    0.00  -0.000040247   0.000033276  -0.000025720
 O     -0.003716     -0.963716      0.197832    0.00   0.000419300  -0.000803997   0.001415422
 O     -1.995869      0.291828     -1.349047    0.00  -0.001381703   0.001587758  -0.000134059
 C     -2.997314     -0.249509     -0.935255    0.00  -0.000234397   0.000088511  -0.000299801
 H     -3.879800     -0.572334     -1.490385    0.00   0.000042676  -0.000060431  -0.000019989
 O     -3.177369     -0.539551      0.375148    0.00  -0.000091088  -0.000432279  -0.000437261
26
 Energy =      -0.305691066274
 C      2.270540     -1.670373     -0.496479    0.00   0.000197382  -0.000035112  -0.000087980
 C      2.959391     -0.343338     -0.168263    0.00   0.000285919   0.000028840  -0.000507765
 C      2.124731      0.850585     -0.641914    0.00  -0.000038338  -0.000095265  -0.000204157
 C      1.091840      1.325116      0.385124    0.00   0.000120349  -0.000280742   0.000042010
 C      0.065987      0.287949      0.800066    0.00  -0.000044973  -0.000189882   0.000073681
 C      1.060309     -1.935504      0.387563    0.00   0.000845551  -0.000103199   0.000719225
 H      2.795006      1.699371     -0.886072    0.00  -0.000020184   0.000001436  -0.000024307
 H      3.172272     -0.271839      0.915230    0.00   0.000064313   0.000010873  -0.000060228
 H      3.950858     -0.316079     -0.663995    0.00  -0.000003619   0.000005833  -0.000078166
 H      1.958627     -1.676104     -1.562776    0.00  -0.000037187  -0.000006149   0.000026966
 H      2.987693     -2.508892     -0.389287    0.00   0.000021403   0.000008400  -0.000047882
 H      1.622463      1.650973      1.319174    0.00   0.000022255  -0.000041868   0.000000559
 H      1.314933     -1.973994      1.460775    0.00   0.000119257   0.000038830   0.000025554
 H      0.529655     -2.865448      0.093675    0.00   0.000096270  -0.000019016   0.000122203
 H      1.607679      0.598226     -1.593105    0.00  -0.000016039  -0.000007839  -0.000008690
 O     -0.838495      0.508960      1.582808    0.00  -0.000566438   0.000389494  -0.000866552
 C      0.289937      2.507788     -0.176714    0.00   0.000179234  -0.000099817   0.000314002
 H     -0.385845      2.929062      0.580318    0.00   0.000026915  -0.000013255   0.000038002
 H      0.945641      3.311647     -0.524447    0.00   0.000017010  -0.000009839   0.000028263
 H     -0.340934      2.195301     -1.026175    0.00   0.000001113   0.000008351   0.000033245
 H     -2.381714     -0.299395      0.970040    0.00  -0.000034765   0.000028035  -0.000026038
 O     -0.000097     -0.970875      0.209899    0.00   0.000428219  -0.000793064   0.001424571
 O     -2.006586      0.305902     -1.350836    0.00  -0.001358488   0.001523985  -0.000170211
 C     -3.001195     -0.248886     -0.938219    0.00  -0.000261767   0.000120813  -0.000297104
 H     -3.879209     -0.581836     -1.494474    0.00   0.000031095  -0.000050716  -0.000020921
 O     -3.178259     -0.543324      0.371453    0.00  -0.000074486  -0.000419127  -0.000448278
26
 Energy =      -0.305896430658
 C      2.272943     -1.670707     -0.497486    0.00   0.000190269  -0.000037000  -0.000077523
 C      2.962656     -0.342976     -0.174254    0.00   0.000277673   0.000032453  -0.000524764
 C      2.124150      0.849493     -0.644374    0.00  -0.000055657  -0.000097117  -0.000214893
 C      1.093263      1.321872      0.385623    0.00   0.000120175  -0.000279346   0.000046032
 C      0.066048      0.285925      0.800615    0.00  -0.000043874  -0.000190751   0.000075505
 C      1.070047     -1.936611      0.395999    0.00   0.000846625  -0.000091284   0.000731480
 H      2.792269      1.699752     -0.889706    0.00  -0.000022383   0.000001072  -0.000026530
 H      3.181507     -0.270228      0.907976    0.00   0.000064961   0.000012118  -0.000063222
 H      3.951331     -0.315198     -0.675521    0.00  -0.000006103   0.000005762  -0.000080651
 H      1.952983     -1.677026     -1.561392    0.00  -0.000037668  -0.000007854   0.000028864
 H      2.991745     -2.508505     -0.395650    0.00   0.000020645   0.000008286  -0.000046043
 H      1.625718      1.645201      1.319508    0.00   0.000023122  -0.000043035   0.000000301
 H      1.332219     -1.968904      1.467618    0.00   0.000118768   0.000041186   0.000025093
 H      0.541206     -2.870176      0.110207    0.00   0.000097565  -0.000017196   0.000124383
 H      1.605172      0.597148     -1.594489    0.00  -0.000018699  -0.000008716  -0.000008369
 O     -0.843865      0.512438      1.575719    0.00  -0.000555986   0.000366878  -0.000865064
 C      0.292042      2.506717     -0.172926    0.00   0.000183908  -0.000087574   0.000339231
 H     -0.382243      2.927307      0.585879    0.00   0.000026815  -0.000013737   0.000040375
 H      0.948057      3.310439     -0.520248    0.00   0.000017704  -0.000008203   0.000032488
 H     -0.340862      2.196584     -1.021777    0.00   0.000002386   0.000011026   0.000034477
 H     -2.385149     -0.295581      0.967013    0.00  -0.000030064   0.000023071  -0.000026452
 O      0.003617     -0.977980      0.222109    0.00   0.000435405  -0.000779039   0.001428195
 O     -2.017279      0.319444     -1.352868    0.00  -0.001326214   0.001456421  -0.000198218
 C     -3.005287     -0.247852     -0.941250    0.00  -0.000285935   0.000149284  -0.000294262
 H     -3.879283     -0.589801     -1.498392    0.00   0.000020731  -0.000041482  -0.000021706
 O     -3.179020     -0.547001      0.367644    0.00  -0.000064169  -0.000405222  -0.000458727
26
 Energy =       -0.30609990149
 C      2.275281     -1.671069     -0.498388    0.00   0.000181850  -0.000038718  -0.000067636
 C      2.965848     -0.342570     -0.180499    0.00   0.000268355   0.000035497  -0.000541305
 C      2.123362      0.848371     -0.646983    0.00  -0.000072729  -0.000098667  -0.000225029
 C      1.094693      1.318614      0.386175    0.00   0.000119840  -0.000277276   0.000049880
 C      0.066118      0.283880      0.801187    0.00  -0.000043633  -0.000190622   0.000076335
 C      1.079871     -1.937578      0.404643    0.00   0.000845020  -0.000078149   0.000741344
 H      2.789232      1.700107     -0.893687    0.00  -0.000024522   0.000000685  -0.000028612
 H      3.190946     -0.268428      0.900365    0.00   0.000065411   0.000013254  -0.000066267
 H      3.951564     -0.314307     -0.687551    0.00  -0.000008734   0.000005586  -0.000082981
 H      1.947184     -1.678202     -1.559808    0.00  -0.000038117  -0.000009485   0.000030739
 H      2.995711     -2.508114     -0.401824    0.00   0.000019709   0.000008134  -0.000044193
 H      1.629143      1.639227      1.319855    0.00   0.000023907  -0.000044184   0.000000003
 H      1.349631     -1.963423      1.474571    0.00   0.000117873   0.000043612   0.000024370
 H      0.552959     -2.874806      0.127175    0.00   0.000098662  -0.000015127   0.000126296
 H      1.602253      0.595945     -1.595879    0.00  -0.000021269  -0.000009503  -0.000007997
 O     -0.849197      0.515753      1.568575    0.00  -0.000545347   0.000344153  -0.000862657
 C      0.294224      2.505785     -0.168812    0.00   0.000189333  -0.000074613   0.000363821
 H     -0.378614      2.925490      0.591826    0.00   0.000026898  -0.000014047   0.000042665
 H      0.950596      3.309459     -0.515440    0.00   0.000018487  -0.000006656   0.000036535
 H     -0.340630      2.198256     -1.017182    0.00   0.000003666   0.000013735   0.000035788
 H     -2.388220     -0.292455      0.963715    0.00  -0.000026040   0.000018362  -0.000026902
 O      0.007419     -0.985019      0.234442    0.00   0.000440891  -0.000762126   0.001426269
 O     -2.027879      0.332444     -1.355087    0.00  -0.001285176   0.001385374  -0.000218965
 C     -3.009571     -0.246441     -0.944346    0.00  -0.000306592   0.000174094  -0.000291018
 H     -3.879994     -0.596312     -1.502184    0.00   0.000011502  -0.000032701  -0.000022333
 O     -3.179704     -0.550584      0.363716    0.00  -0.000059246  -0.000390609  -0.000468151
26
 Energy =      -0.306301049379
 C      2.277541     -1.671459     -0.499191    0.00   0.000172267  -0.000040319  -0.000058248
 C      2.968960     -0.342125     -0.187010    0.00   0.000257885   0.000037996  -0.000557282
 C      2.122363      0.847220     -0.649741    0.00  -0.000089690  -0.000099958  -0.000234589
 C      1.096134      1.315344      0.386782    0.00   0.000119254  -0.000274528   0.000053530
 C      0.066188      0.281820      0.801773    0.00  -0.000044235  -0.000189554   0.000076209
 C      1.089772     -1.938392      0.413489    0.00   0.000840894  -0.000064025   0.000748928
 H      2.785890      1.700433     -0.898014    0.00  -0.000026612   0.000000271  -0.000030565
 H      3.200589     -0.266445      0.892377    0.00   0.000065646   0.000014288  -0.000069364
 H      3.951542     -0.313416     -0.700105    0.00  -0.000011520   0.000005313  -0.000085129
 H      1.941216     -1.679633     -1.558025    0.00  -0.000038524  -0.000011051   0.000032595
 H      2.999577     -2.507725     -0.407814    0.00   0.000018623   0.000007947  -0.000042320
 H      1.632740      1.633036      1.320217    0.00   0.000024597  -0.000045316  -0.000000344
 H      1.367158     -1.957520      1.481624    0.00   0.000116586   0.000046067   0.000023391
 H      0.564912     -2.879324      0.144585    0.00   0.000099572  -0.000012819   0.000127942
 H      1.598916      0.594622     -1.597274    0.00  -0.000023762  -0.000010214  -0.000007571
 O     -0.854499      0.518907      1.561368    0.00  -0.000534722   0.000321360  -0.000859458
 C      0.296500      2.505003     -0.164363    0.00   0.000195466  -0.000060917   0.000387823
 H     -0.374931      2.923633      0.598171    0.00   0.000027140  -0.000014198   0.000044872
 H      0.953283      3.308702     -0.510025    0.00   0.000019363  -0.000005186   0.000040440
 H     -0.340237      2.200333     -1.012375    0.00   0.000004967   0.000016499   0.000037166
 H     -2.390980     -0.289984      0.960173    0.00  -0.000022596   0.000013900  -0.000027346
 O      0.011304     -0.991980      0.246879    0.00   0.000444746  -0.000742678   0.001419115
 O     -2.038321      0.344892     -1.357443    0.00  -0.001236156   0.001311431  -0.000233533
 C     -3.014026     -0.244687     -0.947503    0.00  -0.000323665   0.000195409  -0.000287238
 H     -3.881312     -0.601442     -1.505888    0.00   0.000003328  -0.000024378  -0.000022789
 O     -3.180358     -0.554070      0.359668    0.00  -0.000058849  -0.000375339  -0.000476234
26
 Energy =      -0.306499504999
 C      2.279715     -1.671879     -0.499900    0.00   0.000161710  -0.000041837  -0.000049307
 C      2.971980     -0.341643     -0.193800    0.00   0.000246267   0.000039992  -0.000572622
 C      2.121145      0.846038     -0.652651    0.00  -0.000106627  -0.000101041  -0.000243602
 C      1.097583      1.312062      0.387443    0.00   0.000118380  -0.000271151   0.000056972
 C      0.066249      0.279751      0.802362    0.00  -0.000045613  -0.000187643   0.000075227
 C      1.099744     -1.939040      0.422534    0.00   0.000834527  -0.000049179   0.000754360
 H      2.782240      1.700730     -0.902687    0.00  -0.000028671  -0.000000172  -0.000032401
 H      3.210432     -0.264283      0.883993    0.00   0.000065649   0.000015224  -0.000072500
 H      3.951244     -0.312536     -0.713199    0.00  -0.000014455   0.000004954  -0.000087080
 H      1.935067     -1.681320     -1.556044    0.00  -0.000038874  -0.000012556   0.000034430
 H      3.003328     -2.507343     -0.413623    0.00   0.000017418   0.000007730  -0.000040429
 H      1.636512      1.626615      1.320594    0.00   0.000025192  -0.000046433  -0.000000748
 H      1.384787     -1.951172      1.488767    0.00   0.000114944   0.000048515   0.000022172
 H      0.577061     -2.883716      0.162445    0.00   0.000100307  -0.000010294   0.000129319
 H      1.595151      0.593183     -1.598675    0.00  -0.000026185  -0.000010862  -0.000007088
 O     -0.859784      0.521902      1.554090    0.00  -0.000524266   0.000298632  -0.000855582
 C      0.298882      2.504382     -0.159570    0.00   0.000202263  -0.000046540   0.000411295
 H     -0.371167      2.921754      0.604931    0.00   0.000027517  -0.000014212   0.000047000
 H      0.956141      3.308170     -0.503997    0.00   0.000020327  -0.000003787   0.000044227
 H     -0.339679      2.202835     -1.007338    0.00   0.000006302   0.000019321   0.000038605
 H     -2.393474     -0.288142      0.956413    0.00  -0.000019655   0.000009695  -0.000027766
 O      0.015266     -0.998853      0.259400    0.00   0.000447120  -0.000721118   0.001407350
 O     -2.048543      0.356776     -1.359898    0.00  -0.001180342   0.001235362  -0.000243085
 C     -3.018627     -0.242618     -0.950716    0.00  -0.000337227   0.000213403  -0.000282911
 H     -3.883207     -0.605258     -1.509530    0.00  -0.000003860  -0.000016526  -0.000023063
 O     -3.181018     -0.557459      0.355500    0.00  -0.000062145  -0.000359477  -0.000482774
26
 Energy =      -0.306694989979
 C      2.281791     -1.672328     -0.500519    0.00   0.000150418  -0.000043282  -0.000040805
 C      2.974897     -0.341129     -0.200877    0.00   0.000233563   0.000041529  -0.000587281
 C      2.119702      0.844827     -0.655716    0.00  -0.000123586  -0.000101960  -0.000252102
 C      1.099040      1.308769      0.388159    0.00   0.000117229  -0.000267215   0.000060219
 C      0.066290      0.277678      0.802947    0.00  -0.000047628  -0.000184995   0.000073539
 C      1.109776     -1.939511      0.431770    0.00   0.000826270  -0.000033858   0.000757817
 H      2.778272      1.700994     -0.907709    0.00  -0.000030707  -0.000000647  -0.000034130
 H      3.220468     -0.261944      0.875195    0.00   0.000065424   0.000016071  -0.000075668
 H      3.950651     -0.311674     -0.726845    0.00  -0.000017526   0.000004524  -0.000088821
 H      1.928729     -1.683266     -1.553868    0.00  -0.000039162  -0.000013998   0.000036235
 H      3.006951     -2.506973     -0.419254    0.00   0.000016134   0.000007487  -0.000038525
 H      1.640460      1.619953      1.320986    0.00   0.000025691  -0.000047538  -0.000001219
 H      1.402503     -1.944359      1.495988    0.00   0.000112994   0.000050909   0.000020739
 H      0.589403     -2.887965      0.180754    0.00   0.000100886  -0.000007584   0.000130431
 H      1.590948      0.591630     -1.600081    0.00  -0.000028540  -0.000011456  -0.000006544
 O     -0.865058      0.524739      1.546734    0.00  -0.000514103   0.000276158  -0.000851144
 C      0.301385      2.503933     -0.154423    0.00   0.000209672  -0.000031616   0.000434299
 H     -0.367297      2.919871      0.612118    0.00   0.000028013  -0.000014111   0.000049055
 H      0.959195      3.307863     -0.497348    0.00   0.000021373  -0.000002464   0.000047917
 H     -0.338949      2.205784     -1.002056    0.00   0.000007679   0.000022197   0.000040105
 H     -2.395741     -0.286902      0.952458    0.00  -0.000017152   0.000005760  -0.000028156
 O      0.019299     -1.005626      0.271988    0.00   0.000448173  -0.000697940   0.001391772
 O     -2.058486      0.368083     -1.362419    0.00  -0.001119178   0.001158030  -0.000248785
 C     -3.023353     -0.240264     -0.953979    0.00  -0.000347469   0.000228262  -0.000278115
 H     -3.885649     -0.607824     -1.513129    0.00  -0.000010118  -0.000009165  -0.000023147
 O     -3.181717     -0.560748      0.351218    0.00  -0.000068351  -0.000343095  -0.000487685
26
 Energy =      -0.306887333669
 C      2.283762     -1.672808     -0.501052    0.00   0.000138618  -0.000044645  -0.000032749
 C      2.977697     -0.340587     -0.208249    0.00   0.000219895   0.000042658  -0.000601247
 C      2.118024      0.843585     -0.658937    0.00  -0.000140566  -0.000102758  -0.000260105
 C      1.100503      1.305468      0.388930    0.00   0.000115858  -0.000262821   0.000063293
 C      0.066304      0.275608      0.803519    0.00  -0.000050133  -0.000181737   0.000071309
 C      1.119859     -1.939796      0.441189    0.00   0.000816521  -0.000018304   0.000759479
 H      2.773979      1.701222     -0.913080    0.00  -0.000032729  -0.000001152  -0.000035760
 H      3.230683     -0.259433      0.865969    0.00   0.000064974   0.000016832  -0.000078854
 H      3.949742     -0.310840     -0.741049    0.00  -0.000020711   0.000004032  -0.000090356
 H      1.922197     -1.685473     -1.551495    0.00  -0.000039381  -0.000015376   0.000038000
 H      3.010436     -2.506617     -0.424704    0.00   0.000014805   0.000007227  -0.000036626
 H      1.644584      1.613039      1.321391    0.00   0.000026101  -0.000048633  -0.000001761
 H      1.420289     -1.937065      1.503274    0.00   0.000110798   0.000053213   0.000019126
 H      0.601931     -2.892058      0.199508    0.00   0.000101327  -0.000004729   0.000131281
 H      1.586296      0.589965     -1.601488    0.00  -0.000030829  -0.000012005  -0.000005938
 O     -0.870330      0.527420      1.539296    0.00  -0.000504327   0.000254161  -0.000846264
 C      0.304023      2.503669     -0.148909    0.00   0.000217647  -0.000016327   0.000456897
 H     -0.363301      2.918001      0.619745    0.00   0.000028614  -0.000013923   0.000051040
 H      0.962469      3.307782     -0.490066    0.00   0.000022490  -0.000001228   0.000051524
 H     -0.338041      2.209203     -0.996516    0.00   0.000009102   0.000025114   0.000041669
 H     -2.397813     -0.286235      0.948330    0.00  -0.000015036   0.000002119  -0.000028516
 O      0.023399     -1.012290      0.284623    0.00   0.000448093  -0.000673632   0.001373292
 O     -2.068100      0.378800     -1.364982    0.00  -0.001054249   0.001080316  -0.000251737
 C     -3.028178     -0.237654     -0.957285    0.00  -0.000354640   0.000240189  -0.000272985
 H     -3.888606     -0.609204     -1.516697    0.00  -0.000015497  -0.000002318  -0.000023039
 O     -3.182482     -0.563930      0.346827    0.00  -0.000076747  -0.000326274  -0.000490972
26
 Energy =      -0.307076477391
 C      2.285617     -1.673320     -0.501501    0.00   0.000126534  -0.000045906  -0.000025172
 C      2.980366     -0.340020     -0.215920    0.00   0.000205412   0.000043424  -0.000614542
 C      2.116104      0.842312     -0.662313    0.00  -0.000157539  -0.000103460  -0.000267630
 C      1.101970      1.302162      0.389757    0.00   0.000114339  -0.000258082   0.000066233
 C      0.066284      0.273547      0.804074    0.00  -0.000052963  -0.000177993   0.000068720
 C      1.129980     -1.939886      0.450779    0.00   0.000805684  -0.000002717   0.000759553
 H      2.769354      1.701410     -0.918802    0.00  -0.000034742  -0.000001685  -0.000037296
 H      3.241060     -0.256754      0.856305    0.00   0.000064316   0.000017512  -0.000082043
 H      3.948498     -0.310039     -0.755811    0.00  -0.000023984   0.000003491  -0.000091689
 H      1.915470     -1.687945     -1.548929    0.00  -0.000039533  -0.000016682   0.000039711
 H      3.013774     -2.506279     -0.429971    0.00   0.000013461   0.000006957  -0.000034751
 H      1.648883      1.605865      1.321810    0.00   0.000026430  -0.000049717  -0.000002377
 H      1.438124     -1.929286      1.510606    0.00   0.000108421   0.000055396   0.000017372
 H      0.614637     -2.895977      0.218690    0.00   0.000101648  -0.000001772   0.000131881
 H      1.581185      0.588188     -1.602894    0.00  -0.000033046  -0.000012514  -0.000005270
 O     -0.875605      0.529944      1.531774    0.00  -0.000495005   0.000232873  -0.000841063
 C      0.306807      2.503598     -0.143021    0.00   0.000226141  -0.000000887   0.000479142
 H     -0.359161      2.916158      0.627824    0.00   0.000029308  -0.000013672   0.000052961
 H      0.965983      3.307928     -0.482141    0.00   0.000023666  -0.000000090   0.000055056
 H     -0.336948      2.213110     -0.990705    0.00   0.000010574   0.000028053   0.000043302
 H     -2.399718     -0.286111      0.944050    0.00  -0.000013263  -0.000001208  -0.000028853
 O      0.027559     -1.018833      0.297290    0.00   0.000447063  -0.000648669   0.001352833
 O     -2.077338      0.388914     -1.367571    0.00  -0.000987163   0.001003057  -0.000252912
 C     -3.033078     -0.234815     -0.960627    0.00  -0.000359025   0.000249399  -0.000267720
 H     -3.892042     -0.609467     -1.520240    0.00  -0.000020039   0.000003995  -0.000022747
 O     -3.183333     -0.567001      0.342335    0.00  -0.000086695  -0.000309104  -0.000492700
26
 Energy =        -0.3072624685
 C      2.287351     -1.673863     -0.501871    0.00   0.000114350  -0.000047032  -0.000018116
 C      2.982889     -0.339431     -0.223889    0.00   0.000190280   0.000043867  -0.000627207
 C      2.113934      0.841009     -0.665845    0.00  -0.000174437  -0.000104081  -0.000274681
 C      1.103440      1.298854      0.390640    0.00   0.000112759  -0.000253118   0.000069080
 C      0.066225      0.271499      0.804606    0.00  -0.000055960  -0.000173876   0.000065943
 C      1.140126     -1.939776      0.460523    0.00   0.000794141   0.000012740   0.000758258
 H      2.764391      1.701556     -0.924872    0.00  -0.000036743  -0.000002241  -0.000038740
 H      3.251576     -0.253911      0.846196    0.00   0.000063470   0.000018115  -0.000085222
 H      3.946901     -0.309279     -0.771122    0.00  -0.000027315   0.000002911  -0.000092831
 H      1.908551     -1.690678     -1.546172    0.00  -0.000039627  -0.000017913   0.000041353
 H      3.016955     -2.505960     -0.435052    0.00   0.000012129   0.000006683  -0.000032919
 H      1.653358      1.598427      1.322238    0.00   0.000026687  -0.000050793  -0.000003064
 H      1.455984     -1.921023      1.517965    0.00   0.000105927   0.000057433   0.000015520
 H      0.627508     -2.899707      0.238279    0.00   0.000101864   0.000001239   0.000132245
 H      1.575607      0.586300     -1.604294    0.00  -0.000035189  -0.000012984  -0.000004543
 O     -0.880885      0.532313      1.524169    0.00  -0.000486181   0.000212506  -0.000835668
 C      0.309748      2.503729     -0.136750    0.00   0.000235117   0.000014483   0.000501074
 H     -0.354862      2.914352      0.636362    0.00   0.000030083  -0.000013384   0.000054824
 H      0.969757      3.308301     -0.473566    0.00   0.000024888   0.000000937   0.000058519
 H     -0.335661      2.217522     -0.984612    0.00   0.000012093   0.000030995   0.000045009
 H     -2.401481     -0.286494      0.939638    0.00  -0.000011798  -0.000004204  -0.000029171
 O      0.031772     -1.025245      0.309971    0.00   0.000445265  -0.000623478   0.001331282
 O     -2.086162      0.398414     -1.370176    0.00  -0.000919436   0.000926996  -0.000253147
 C     -3.038027     -0.231779     -0.963999    0.00  -0.000360932   0.000256114  -0.000262509
 H     -3.895922     -0.608684     -1.523760    0.00  -0.000023794   0.000009762  -0.000022286
 O     -3.184287     -0.569951      0.337753    0.00  -0.000097640  -0.000291675  -0.000493003
26
 Energy =      -0.307445447156
 C      2.288956     -1.674436     -0.502165    0.00   0.000102207  -0.000047997  -0.000011620
 C      2.985251     -0.338823     -0.232152    0.00   0.000174666   0.000044021  -0.000639301
 C      2.111509      0.839675     -0.669527    0.00  -0.000191183  -0.000104627  -0.000281254
 C      1.104911      1.295549      0.391580    0.00   0.000111207  -0.000248046   0.000071885
 C      0.066123      0.269471      0.805115    0.00  -0.000058986  -0.000169496   0.000063125
 C      1.150284     -1.939461      0.470404    0.00   0.000782236   0.000027944   0.000755803
 H      2.759086      1.701657     -0.931284    0.00  -0.000038729  -0.000002811  -0.000040089
 H      3.262207     -0.250911      0.835641    0.00   0.000062465   0.000018642  -0.000088372
 H      3.944934     -0.308566     -0.786965    0.00  -0.000030671   0.000002300  -0.000093808
 H      1.901445     -1.693670     -1.543228    0.00  -0.000039675  -0.000019059   0.000042914
 H      3.019974     -2.505662     -0.439945    0.00   0.000010826   0.000006411  -0.000031156
 H      1.658004      1.590723      1.322675    0.00   0.000026882  -0.000051859  -0.000003819
 H      1.473845     -1.912283      1.525329    0.00   0.000103381   0.000059312   0.000013614
 H      0.640530     -2.903231      0.258242    0.00   0.000101989   0.000004260   0.000132393
 H      1.569561      0.584305     -1.605683    0.00  -0.000037251  -0.000013412  -0.000003764
 O     -0.886171      0.534531      1.516486    0.00  -0.000477875   0.000193247  -0.000830199
 C      0.312854      2.504067     -0.130094    0.00   0.000244537   0.000029570   0.000522731
 H     -0.350390      2.912592      0.645360    0.00   0.000030931  -0.000013079   0.000056635
 H      0.973806      3.308896     -0.464337    0.00   0.000026148   0.000001841   0.000061913
 H     -0.334173      2.222450     -0.978229    0.00   0.000013658   0.000033914   0.000046789
 H     -2.403122     -0.287345      0.935112    0.00  -0.000010607  -0.000006858  -0.000029473
 O      0.036031     -1.031516      0.322651    0.00   0.000442881  -0.000598420   0.001309443
 O     -2.094541      0.407293     -1.372794    0.00  -0.000852426   0.000852760  -0.000253116
 C     -3.043003     -0.228576     -0.967394    0.00  -0.000360668   0.000260563  -0.000257554
 H     -3.900204     -0.606936     -1.527254    0.00  -0.000026814   0.000014974  -0.000021685
 O     -3.185354     -0.572773      0.333095    0.00  -0.000109128  -0.000274094  -0.000492037
26
 Energy =      -0.307625628621
 C      2.290427     -1.675039     -0.502388    0.00   0.000090204  -0.000048771  -0.000005727
 C      2.987441     -0.338200     -0.240703    0.00   0.000158732   0.000043917  -0.000650899
 C      2.108827      0.838313     -0.673355    0.00  -0.000207687  -0.000105088  -0.000287340
 C      1.106383      1.292249      0.392577    0.00   0.000109769  -0.000242972   0.000074689
 C      0.065976      0.267467      0.805597    0.00  -0.000061920  -0.000164946   0.000060405
 C      1.160439     -1.938940      0.480399    0.00   0.000770273   0.000042815   0.000752406
 H      2.753440      1.701710     -0.938028    0.00  -0.000040690  -0.000003388  -0.000041339
 H      3.272924     -0.247762      0.824645    0.00   0.000061325   0.000019096  -0.000091478
 H      3.942585     -0.307906     -0.803320    0.00  -0.000034025   0.000001665  -0.000094637
 H      1.894161     -1.696914     -1.540104    0.00  -0.000039691  -0.000020116   0.000044381
 H      3.022824     -2.505385     -0.444652    0.00   0.000009562   0.000006146  -0.000029482
 H      1.662820      1.582755      1.323118    0.00   0.000027026  -0.000052916  -0.000004632
 H      1.491679     -1.903083      1.532673    0.00   0.000100837   0.000061028   0.000011695
 H      0.653687     -2.906535      0.278541    0.00   0.000102036   0.000007246   0.000132348
 H      1.563048      0.582205     -1.607055    0.00  -0.000039227  -0.000013794  -0.000002938
 O     -0.891460      0.536600      1.508730    0.00  -0.000470087   0.000175240  -0.000824777
 C      0.316132      2.504613     -0.123049    0.00   0.000254379   0.000044186   0.000544130
 H     -0.345737      2.910887      0.654820    0.00   0.000031844  -0.000012777   0.000058399
 H      0.978143      3.309707     -0.454457    0.00   0.000027436   0.000002615   0.000065239
 H     -0.332480      2.227897     -0.971551    0.00   0.000015267   0.000036790   0.000048644
 H     -2.404660     -0.288620      0.930489    0.00  -0.000009664  -0.000009171  -0.000029759
 O      0.040328     -1.037636      0.335315    0.00   0.000440068  -0.000573781   0.001287997
 O     -2.102455      0.415544     -1.375425    0.00  -0.000787271   0.000780838  -0.000253334
 C     -3.047980     -0.225238     -0.970806    0.00  -0.000358548   0.000262974  -0.000253023
 H     -3.904845     -0.604307     -1.530720    0.00  -0.000029166   0.000019630  -0.000020976
 O     -3.186541     -0.575459      0.328372    0.00  -0.000120783  -0.000256467  -0.000489994
26
 Energy =      -0.307803283818
 C      2.291759     -1.675668     -0.502546    0.00   0.000078398  -0.000049333  -0.000000461
 C      2.989444     -0.337566     -0.249530    0.00   0.000142618   0.000043574  -0.000662077
 C      2.105889      0.836924     -0.677319    0.00  -0.000223853  -0.000105448  -0.000292922
 C      1.107854      1.288959      0.393632    0.00   0.000108524  -0.000237988   0.000077538
 C      0.065784      0.265492      0.806056    0.00  -0.000064670  -0.000160296   0.000057881
 C      1.170576     -1.938212      0.490486    0.00   0.000758491   0.000057303   0.000748261
 H      2.747458      1.701714     -0.945089    0.00  -0.000042615  -0.000003962  -0.000042487
 H      3.283699     -0.244475      0.813214    0.00   0.000060082   0.000019477  -0.000094524
 H      3.939844     -0.307305     -0.820156    0.00  -0.000037348   0.000001011  -0.000095347
 H      1.886708     -1.700398     -1.536807    0.00  -0.000039694  -0.000021078   0.000045748
 H      3.025500     -2.505128     -0.449173    0.00   0.000008341   0.000005894  -0.000027913
 H      1.667799      1.574529      1.323562    0.00   0.000027129  -0.000053960  -0.000005492
 H      1.509462     -1.893443      1.539972    0.00   0.000098345   0.000062583   0.000009798
 H      0.666962     -2.909603      0.299132    0.00   0.000102018   0.000010163   0.000132134
 H      1.556077      0.580008     -1.608402    0.00  -0.000041113  -0.000014126  -0.000002076
 O     -0.896750      0.538526      1.500910    0.00  -0.000462798   0.000158578  -0.000819508
 C      0.319588      2.505366     -0.115619    0.00   0.000264624   0.000058178   0.000565288
 H     -0.340894      2.909239      0.664733    0.00   0.000032815  -0.000012490   0.000060121
 H      0.982776      3.310723     -0.443933    0.00   0.000028748   0.000003254   0.000068493
 H     -0.330576      2.233861     -0.964575    0.00   0.000016914   0.000039603   0.000050568
 H     -2.406113     -0.290269      0.925787    0.00  -0.000008934  -0.000011144  -0.000030024
 O      0.044655     -1.043597      0.347952    0.00   0.000436978  -0.000549774   0.001267496
 O     -2.109889      0.423168     -1.378074    0.00  -0.000724872   0.000711588  -0.000254178
 C     -3.052938     -0.221798     -0.974231    0.00  -0.000354875   0.000263573  -0.000249059
 H     -3.909799     -0.600889     -1.534151    0.00  -0.000030922   0.000023737  -0.000020197
 O     -3.187852     -0.578000      0.323599    0.00  -0.000132331  -0.000238917  -0.000487060
26
 Energy =      -0.307978720178
 C      2.292948     -1.676321     -0.502645    0.00   0.000066808  -0.000049667   0.000004159
 C      2.991252     -0.336924     -0.258620    0.00   0.000126441   0.000043006  -0.000672904
 C      2.102698      0.835512     -0.681410    0.00  -0.000239597  -0.000105690  -0.000297991
 C      1.109327      1.285683      0.394745    0.00   0.000107535  -0.000233160   0.000080468
 C      0.065547      0.263552      0.806492    0.00  -0.000067168  -0.000155603   0.000055632
 C      1.180680     -1.937278      0.500640    0.00   0.000747080   0.000071391   0.000743551
 H      2.741146      1.701670     -0.952445    0.00  -0.000044493  -0.000004520  -0.000043528
 H      3.294501     -0.241063      0.801360    0.00   0.000058761   0.000019787  -0.000097499
 H      3.936704     -0.306770     -0.837442    0.00  -0.000040619   0.000000344  -0.000095960
 H      1.879095     -1.704109     -1.533345    0.00  -0.000039700  -0.000021942   0.000047011
 H      3.027997     -2.504892     -0.453515    0.00   0.000007162   0.000005656  -0.000026465
 H      1.672936      1.566054      1.324006    0.00   0.000027203  -0.000054992  -0.000006385
 H      1.527166     -1.883390      1.547201    0.00   0.000095942   0.000063988   0.000007953
 H      0.680335     -2.912425      0.319969    0.00   0.000101945   0.000012979   0.000131778
 H      1.548660      0.577722     -1.609718    0.00  -0.000042905  -0.000014401  -0.000001191
 O     -0.902033      0.540315      1.493035    0.00  -0.000455974   0.000143314  -0.000814485
 C      0.323226      2.506321     -0.107810    0.00   0.000275270   0.000071427   0.000586211
 H     -0.335857      2.907650      0.675091    0.00   0.000033837  -0.000012228   0.000061807
 H      0.987712      3.311932     -0.432778    0.00   0.000030079   0.000003759   0.000071672
 H     -0.328457      2.240334     -0.957298    0.00   0.000018595   0.000042336   0.000052557
 H     -2.407498     -0.292244      0.921020    0.00  -0.000008392  -0.000012794  -0.000030264
 O      0.049002     -1.049389      0.360551    0.00   0.000433739  -0.000526543   0.001248349
 O     -2.116842      0.430169     -1.380748    0.00  -0.000665881   0.000645247  -0.000255907
 C     -3.057857     -0.218287     -0.977665    0.00  -0.000349948   0.000262558  -0.000245746
 H     -3.915021     -0.596777     -1.537544    0.00  -0.000032161   0.000027309  -0.000019387
 O     -3.189288     -0.580390      0.318791    0.00  -0.000143559  -0.000221558  -0.000483437
26
 Energy =      -0.308152264426
 C      2.293991     -1.676993     -0.502692    0.00   0.000055431  -0.000049768   0.000008135
 C      2.992856     -0.336280     -0.267958    0.00   0.000110298   0.000042226  -0.000683446
 C      2.099260      0.834079     -0.685616    0.00  -0.000254841  -0.000105789  -0.000302531
 C      1.110801      1.282423      0.395918    0.00   0.000106848  -0.000228555   0.000083513
 C      0.065268      0.261650      0.806909    0.00  -0.000069364  -0.000150907   0.000053712
 C      1.190737     -1.936141      0.510838    0.00   0.000736174   0.000085077   0.000738434
 H      2.734519      1.701577     -0.960073    0.00  -0.000046309  -0.000005053  -0.000044457
 H      3.305301     -0.237537      0.789097    0.00   0.000057389   0.000020027  -0.000100391
 H      3.933162     -0.306308     -0.855142    0.00  -0.000043821  -0.000000336  -0.000096501
 H      1.871333     -1.708028     -1.529728    0.00  -0.000039728  -0.000022707   0.000048170
 H      3.030312     -2.504675     -0.457684    0.00   0.000006018   0.000005435  -0.000025148
 H      1.678224      1.557341      1.324447    0.00   0.000027256  -0.000056008  -0.000007298
 H      1.544770     -1.872951      1.554335    0.00   0.000093657   0.000065255   0.000006183
 H      0.693789     -2.914989      0.341004    0.00   0.000101829   0.000015675   0.000131307
 H      1.540817      0.575359     -1.610995    0.00  -0.000044603  -0.000014612  -0.000000293
 O     -0.907305      0.541975      1.485115    0.00  -0.000449564   0.000129456  -0.000809787
 C      0.327049      2.507471     -0.099628    0.00   0.000286304   0.000083858   0.000606900
 H     -0.330622      2.906121      0.685878    0.00   0.000034908  -0.000011995   0.000063460
 H      0.992955      3.313317     -0.421011    0.00   0.000031430   0.000004131   0.000074773
 H     -0.326120      2.247301     -0.949721    0.00   0.000020305   0.000044975   0.000054601
 H     -2.408828     -0.294493      0.916202    0.00  -0.000008006  -0.000014143  -0.000030474
 O      0.053363     -1.055008      0.373102    0.00   0.000430465  -0.000504164   0.001230843
 O     -2.123317      0.436554     -1.383455    0.00  -0.000610729   0.000581937  -0.000258671
 C     -3.062718     -0.214737     -0.981105    0.00  -0.000344048   0.000260126  -0.000243148
 H     -3.920463     -0.592065     -1.540893    0.00  -0.000032968   0.000030365  -0.000018582
 O     -3.190844     -0.582624      0.313960    0.00  -0.000154332  -0.000204507  -0.000479301
26
 Energy =      -0.308324248083
 C      2.294884     -1.677680     -0.502695    0.00   0.000044239  -0.000049638   0.000011483
 C      2.994249     -0.335636     -0.277528    0.00   0.000094256   0.000041244  -0.000693760
 C      2.095586      0.832630     -0.689923    0.00  -0.000269521  -0.000105726  -0.000306534
 C      1.112278      1.279184      0.397150    0.00   0.000106510  -0.000224196   0.000086692
 C      0.064951      0.259789      0.807311    0.00  -0.000071230  -0.000146238   0.000052149
 C      1.200735     -1.934804      0.521056    0.00   0.000725864   0.000098381   0.000733041
 H      2.727590      1.701439     -0.967945    0.00  -0.000048052  -0.000005552  -0.000045274
 H      3.316073     -0.233915      0.776443    0.00   0.000055984   0.000020195  -0.000103192
 H      3.929217     -0.305923     -0.873217    0.00  -0.000046941  -0.000001025  -0.000096988
 H      1.863430     -1.712137     -1.525965    0.00  -0.000039790  -0.000023372   0.000049228
 H      3.032439     -2.504476     -0.461693    0.00   0.000004903   0.000005232  -0.000023969
 H      1.683655      1.548401      1.324882    0.00   0.000027298  -0.000057005  -0.000008218
 H      1.562252     -1.862157      1.561351    0.00   0.000091510   0.000066401   0.000004501
 H      0.707304     -2.917287      0.362188    0.00   0.000101678   0.000018236   0.000130744
 H      1.532570      0.572930     -1.612226    0.00  -0.000046208  -0.000014756   0.000000606
 O     -0.912558      0.543513      1.477161    0.00  -0.000443520   0.000116981  -0.000805472
 C      0.331058      2.508806     -0.091087    0.00   0.000297733   0.000095425   0.000627359
 H     -0.325186      2.904650      0.697079    0.00   0.000036021  -0.000011797   0.000065083
 H      0.998505      3.314862     -0.408654    0.00   0.000032800   0.000004379   0.000077792
 H     -0.323564      2.254744     -0.941849    0.00   0.000022041   0.000047513   0.000056690
 H     -2.410117     -0.296966      0.911347    0.00  -0.000007749  -0.000015212  -0.000030649
 O      0.057730     -1.060446      0.385600    0.00   0.000427245  -0.000482663   0.001215147
 O     -2.129324      0.442336     -1.386207    0.00  -0.000559648   0.000521689  -0.000262549
 C     -3.067508     -0.211178     -0.984551    0.00  -0.000337436   0.000256453  -0.000241277
 H     -3.926081     -0.586849     -1.544196    0.00  -0.000033422   0.000032932  -0.000017812
 O     -3.192518     -0.584698      0.309120    0.00  -0.000164564  -0.000187879  -0.000474820
26
 Energy =      -0.308494996154
 C      2.295626     -1.678378     -0.502659    0.00   0.000033200  -0.000049282   0.000014227
 C      2.995427     -0.334997     -0.287311    0.00   0.000078363   0.000040064  -0.000703884
 C      2.091687      0.831170     -0.694317    0.00  -0.000283585  -0.000105479  -0.000309996
 C      1.113760      1.275969      0.398443    0.00   0.000106539  -0.000220109   0.000090022
 C      0.064598      0.257974      0.807702    0.00  -0.000072755  -0.000141606   0.000050960
 C      1.210663     -1.933274      0.531272    0.00   0.000716195   0.000111326   0.000727479
 H      2.720378      1.701257     -0.976029    0.00  -0.000049709  -0.000006006  -0.000045975
 H      3.326790     -0.230211      0.763414    0.00   0.000054566   0.000020296  -0.000105899
 H      3.924870     -0.305622     -0.891629    0.00  -0.000049972  -0.000001722  -0.000097437
 H      1.855395     -1.716415     -1.522066    0.00  -0.000039900  -0.000023941   0.000050191
 H      3.034376     -2.504294     -0.465552    0.00   0.000003807   0.000005045  -0.000022926
 H      1.689220      1.539250      1.325308    0.00   0.000027336  -0.000057981  -0.000009130
 H      1.579594     -1.851040      1.568226    0.00   0.000089509   0.000067441   0.000002914
 H      0.720864     -2.919313      0.383476    0.00   0.000101502   0.000020658   0.000130110
 H      1.523944      0.570451     -1.613406    0.00  -0.000047722  -0.000014828   0.000001494
 O     -0.917784      0.544938      1.469182    0.00  -0.000437774   0.000105839  -0.000801588
 C      0.335255      2.510314     -0.082199    0.00   0.000309555   0.000106111   0.000647583
 H     -0.319550      2.903235      0.708672    0.00   0.000037175  -0.000011630   0.000066683
 H      1.004363      3.316546     -0.395734    0.00   0.000034193   0.000004509   0.000080728
 H     -0.320786      2.262639     -0.933685    0.00   0.000023797   0.000049942   0.000058817
 H     -2.411378     -0.299618      0.906464    0.00  -0.000007597  -0.000016035  -0.000030788
 O      0.062096     -1.065700      0.398039    0.00   0.000424149  -0.000462033   0.001201332
 O     -2.134883      0.447531     -1.389014    0.00  -0.000512709   0.000464458  -0.000267556
 C     -3.072214     -0.207637     -0.988001    0.00  -0.000330360   0.000251692  -0.000240119
 H     -3.931834     -0.581218     -1.547450    0.00  -0.000033601   0.000035041  -0.000017100
 O     -3.194303     -0.586611      0.304283    0.00  -0.000174201  -0.000171770  -0.000470142
26
 Energy =      -0.308664818775
 C      2.296214     -1.679082     -0.502594    0.00   0.000022271  -0.000048712   0.000016412
 C      2.996387     -0.334367     -0.297290    0.00   0.000062649   0.000038697  -0.000713843
 C      2.087576      0.829704     -0.698784    0.00  -0.000297007  -0.000105035  -0.000312920
 C      1.115251      1.272778      0.399795    0.00   0.000106954  -0.000216300   0.000093514
 C      0.064214      0.256206      0.808086    0.00  -0.000073930  -0.000137021   0.000050139
 C      1.220510     -1.931554      0.541465    0.00   0.000707179   0.000123941   0.000721826
 H      2.712904      1.701036     -0.984293    0.00  -0.000051272  -0.000006410  -0.000046563
 H      3.337430     -0.226443      0.750030    0.00   0.000053145   0.000020330  -0.000108508
 H      3.920126     -0.305411     -0.910341    0.00  -0.000052912  -0.000002427  -0.000097861
 H      1.847234     -1.720839     -1.518042    0.00  -0.000040064  -0.000024415   0.000051066
 H      3.036120     -2.504128     -0.469276    0.00   0.000002721   0.000004874  -0.000022020
 H      1.694912      1.529901      1.325723    0.00   0.000027376  -0.000058933  -0.000010027
 H      1.596781     -1.839630      1.574942    0.00   0.000087660   0.000068390   0.000001424
 H      0.734454     -2.921062      0.404825    0.00   0.000101309   0.000022941   0.000129424
 H      1.514969      0.567938     -1.614527    0.00  -0.000049147  -0.000014826   0.000002364
 O     -0.922975      0.546260      1.461188    0.00  -0.000432266   0.000095961  -0.000798157
 C      0.339639      2.511982     -0.072978    0.00   0.000321772   0.000115927   0.000667571
 H     -0.313713      2.901872      0.720637    0.00   0.000038366  -0.000011497   0.000068260
 H      1.010527      3.318349     -0.382279    0.00   0.000035607   0.000004531   0.000083579
 H     -0.317788      2.270962     -0.925234    0.00   0.000025570   0.000052260   0.000060971
 H     -2.412620     -0.302403      0.901564    0.00  -0.000007526  -0.000016638  -0.000030893
 O      0.066455     -1.070766      0.410416    0.00   0.000421232  -0.000442222   0.001189396
 O     -2.140013      0.452157     -1.391884    0.00  -0.000469863   0.000410139  -0.000273671
 C     -3.076828     -0.204141     -0.991455    0.00  -0.000323024   0.000245986  -0.000239640
 H     -3.937682     -0.575260     -1.550653    0.00  -0.000033574   0.000036729  -0.000016460
 O     -3.196191     -0.588364      0.299459    0.00  -0.000183230  -0.000156271  -0.000465386
26
 Energy =      -0.308834005553
 C      2.296647     -1.679788     -0.502505    0.00   0.000011418  -0.000047938   0.000018075
 C      2.997128     -0.333751     -0.307447    0.00   0.000047127   0.000037147  -0.000723652
 C      2.083267      0.828238     -0.703308    0.00  -0.000309759  -0.000104381  -0.000315315
 C      1.116754      1.269616      0.401209    0.00   0.000107759  -0.000212760   0.000097169
 C      0.063806      0.254489      0.808468    0.00  -0.000074765  -0.000132480   0.000049686
 C      1.230269     -1.929651      0.551618    0.00   0.000698805   0.000136257   0.000716143
 H      2.705189      1.700780     -0.992705    0.00  -0.000052732  -0.000006756  -0.000047039
 H      3.347972     -0.222626      0.736311    0.00   0.000051733   0.000020299  -0.000111021
 H      3.914990     -0.305296     -0.929315    0.00  -0.000055761  -0.000003137  -0.000098266
 H      1.838953     -1.725387     -1.513899    0.00  -0.000040287  -0.000024798   0.000051862
 H      3.037667     -2.503976     -0.472880    0.00   0.000001638   0.000004716  -0.000021241
 H      1.700720      1.520371      1.326126    0.00   0.000027424  -0.000059863  -0.000010896
 H      1.613799     -1.827956      1.581482    0.00   0.000085959   0.000069261   0.000000029
 H      0.748058     -2.922531      0.426196    0.00   0.000101105   0.000025089   0.000128700
 H      1.505674      0.565407     -1.615584    0.00  -0.000050488  -0.000014751   0.000003207
 O     -0.928125      0.547488      1.453188    0.00  -0.000426926   0.000087268  -0.000795191
 C      0.344210      2.513798     -0.063441    0.00   0.000334376   0.000124890   0.000687318
 H     -0.307675      2.900557      0.732951    0.00   0.000039597  -0.000011393   0.000069819
 H      1.016992      3.320250     -0.368321    0.00   0.000037046   0.000004457   0.000086343
 H     -0.314568      2.279685     -0.916503    0.00   0.000027353   0.000054467   0.000063144
 H     -2.413852     -0.305284      0.896655    0.00  -0.000007517  -0.000017058  -0.000030967
 O      0.070802     -1.075642      0.422730    0.00   0.000418529  -0.000423169   0.001179272
 O     -2.144740      0.456234     -1.394829    0.00  -0.000430960   0.000358597  -0.000280841
 C     -3.081342     -0.200711     -0.994914    0.00  -0.000315626   0.000239449  -0.000239780
 H     -3.943593     -0.569052     -1.553807    0.00  -0.000033399   0.000038036  -0.000015902
 O     -3.198175     -0.589960      0.294656    0.00  -0.000191650  -0.000141448  -0.000460657
26
 Energy =       -0.30900282207
 C      2.296924     -1.680492     -0.502399    0.00   0.000000606  -0.000046978   0.000019281
 C      2.997651     -0.333152     -0.317766    0.00   0.000031798   0.000035427  -0.000733313
 C      2.078777      0.826775     -0.707876    0.00  -0.000321839  -0.000103505  -0.000317186
 C      1.118271      1.266482      0.402682    0.00   0.000108950  -0.000209484   0.000100981
 C      0.063377      0.252824      0.808851    0.00  -0.000075261  -0.000127974   0.000049568
 C      1.239932     -1.927572      0.561715    0.00   0.000691038   0.000148297   0.000710458
 H      2.697257      1.700493     -1.001231    0.00  -0.000054088  -0.000007045  -0.000047408
 H      3.358398     -0.218776      0.722275    0.00   0.000050335   0.000020205  -0.000113436
 H      3.909468     -0.305282     -0.948517    0.00  -0.000058520  -0.000003853  -0.000098660
 H      1.830558     -1.730037     -1.509648    0.00  -0.000040572  -0.000025097   0.000052587
 H      3.039014     -2.503838     -0.476378    0.00   0.000000551   0.000004571  -0.000020585
 H      1.706638      1.510673      1.326513    0.00   0.000027483  -0.000060761  -0.000011735
 H      1.630639     -1.816047      1.587832    0.00   0.000084399   0.000070068  -0.000001276
 H      0.761666     -2.923720      0.447553    0.00   0.000100896   0.000027109   0.000127949
 H      1.496089      0.562874     -1.616573    0.00  -0.000051750  -0.000014600   0.000004019
 O     -0.933225      0.548631      1.445188    0.00  -0.000421701   0.000079673  -0.000792681
 C      0.348969      2.515746     -0.053604    0.00   0.000347366   0.000133038   0.000706824
 H     -0.301436      2.899285      0.745591    0.00   0.000040861  -0.000011314   0.000071361
 H      1.023757      3.322228     -0.353891    0.00   0.000038513   0.000004291   0.000089015
 H     -0.311127      2.288781     -0.907499    0.00   0.000029144   0.000056560   0.000065331
 H     -2.415080     -0.308227      0.891742    0.00  -0.000007550  -0.000017318  -0.000031014
 O      0.075133     -1.080327      0.434979    0.00   0.000416061  -0.000404801   0.001170857
 O     -2.149091      0.459783     -1.397856    0.00  -0.000395818   0.000309642  -0.000288992
 C     -3.085755     -0.197366     -0.998380    0.00  -0.000308299   0.000232213  -0.000240493
 H     -3.949538     -0.562665     -1.556910    0.00  -0.000033126   0.000038999  -0.000015426
 O     -3.200248     -0.591403      0.289883    0.00  -0.000199475  -0.000127363  -0.000456026
26
 Energy =      -0.309171508003
 C      2.297043     -1.681188     -0.502282    0.00  -0.000010195  -0.000045844   0.000020073
 C      2.997955     -0.332575     -0.328229    0.00   0.000016657   0.000033545  -0.000742817
 C      2.074119      0.825323     -0.712474    0.00  -0.000333246  -0.000102400  -0.000318552
 C      1.119806      1.263380      0.404217    0.00   0.000110515  -0.000206453   0.000104947
 C      0.062933      0.251214      0.809241    0.00  -0.000075433  -0.000123492   0.000049771
 C      1.249494     -1.925322      0.571740    0.00   0.000683828   0.000160084   0.000704792
 H      2.689130      1.700181     -1.009839    0.00  -0.000055334  -0.000007273  -0.000047674
 H      3.368693     -0.214910      0.707941    0.00   0.000048952   0.000020053  -0.000115757
 H      3.903569     -0.305373     -0.967913    0.00  -0.000061195  -0.000004573  -0.000099042
 H      1.822051     -1.734768     -1.505296    0.00  -0.000040918  -0.000025315   0.000053249
 H      3.040159     -2.503712     -0.479785    0.00  -0.000000545   0.000004436  -0.000020041
 H      1.712657      1.500823      1.326885    0.00   0.000027556  -0.000061631  -0.000012537
 H      1.647293     -1.803929      1.593979    0.00   0.000082971   0.000070818  -0.000002500
 H      0.775264     -2.924629      0.468863    0.00   0.000100684   0.000029010   0.000127177
 H      1.486245      0.560357     -1.617489    0.00  -0.000052936  -0.000014377   0.000004799
 O     -0.938268      0.549698      1.437196    0.00  -0.000416523   0.000073090  -0.000790607
 C      0.353914      2.517812     -0.043482    0.00   0.000360720   0.000140407   0.000726076
 H     -0.294996      2.898053      0.758537    0.00   0.000042158  -0.000011259   0.000072889
 H      1.030815      3.324263     -0.339022    0.00   0.000040007   0.000004045   0.000091596
 H     -0.307466      2.298222     -0.898228    0.00   0.000030937   0.000058539   0.000067524
 H     -2.416310     -0.311202      0.886831    0.00  -0.000007612  -0.000017448  -0.000031041
 O      0.079444     -1.084820      0.447162    0.00   0.000413840  -0.000387035   0.001164011
 O     -2.153095      0.462827     -1.400973    0.00  -0.000364194   0.000263096  -0.000298045
 C     -3.090064     -0.194125     -1.001853    0.00  -0.000301174   0.000224370  -0.000241712
 H     -3.955493     -0.556163     -1.559965    0.00  -0.000032793   0.000039659  -0.000015029
 O     -3.202400     -0.592699      0.285145    0.00  -0.000206726  -0.000114052  -0.000451552
26
 Energy =      -0.309340276423
 C      2.297006     -1.681873     -0.502158    0.00  -0.000021001  -0.000044551   0.000020509
 C      2.998044     -0.332022     -0.338822    0.00   0.000001690   0.000031514  -0.000752144
 C      2.069309      0.823886     -0.717088    0.00  -0.000343990  -0.000101062  -0.000319425
 C      1.121363      1.260309      0.405811    0.00   0.000112449  -0.000203638   0.000109050
 C      0.062479      0.249660      0.809641    0.00  -0.000075301  -0.000119015   0.000050282
 C      1.258950     -1.922908      0.581681    0.00   0.000677118   0.000171636   0.000699144
 H      2.680831      1.699848     -1.018501    0.00  -0.000056472  -0.000007440  -0.000047840
 H      3.378843     -0.211042      0.693327    0.00   0.000047587   0.000019844  -0.000117984
 H      3.897299     -0.305574     -0.987471    0.00  -0.000063791  -0.000005298  -0.000099413
 H      1.813437     -1.739560     -1.500849    0.00  -0.000041323  -0.000025458   0.000053857
 H      3.041101     -2.503598     -0.483115    0.00  -0.000001653   0.000004310  -0.000019599
 H      1.718769      1.490835      1.327238    0.00   0.000027643  -0.000062467  -0.000013301
 H      1.663755     -1.791627      1.599913    0.00   0.000081663   0.000071516  -0.000003649
 H      0.788844     -2.925260      0.490098    0.00   0.000100470   0.000030800   0.000126388
 H      1.476170      0.557871     -1.618329    0.00  -0.000054050  -0.000014082   0.000005543
 O     -0.943250      0.550697      1.429218    0.00  -0.000411331   0.000067428  -0.000788947
 C      0.359045      2.519984     -0.033093    0.00   0.000374418   0.000147035   0.000745063
 H     -0.288357      2.896856      0.771766    0.00   0.000043489  -0.000011224   0.000074404
 H      1.038163      3.326336     -0.323744    0.00   0.000041526   0.000003725   0.000094081
 H     -0.303588      2.307980     -0.888696    0.00   0.000032727   0.000060406   0.000069720
 H     -2.417546     -0.314187      0.881924    0.00  -0.000007692  -0.000017474  -0.000031055
 O      0.083732     -1.089122      0.459282    0.00   0.000411861  -0.000369802   0.001158578
 O     -2.156779      0.465388     -1.404187    0.00  -0.000335830   0.000218770  -0.000307918
 C     -3.094270     -0.191000     -1.005336    0.00  -0.000294353   0.000216005  -0.000243361
 H     -3.961439     -0.549599     -1.562973    0.00  -0.000032431   0.000040055  -0.000014705
 O     -3.204623     -0.593856      0.280447    0.00  -0.000213422  -0.000101533  -0.000447279
26
 Energy =      -0.309509313823
 C      2.296812     -1.682545     -0.502033    0.00  -0.000031829  -0.000043110   0.000020638
 C      2.997920     -0.331496     -0.349529    0.00  -0.000013115   0.000029343  -0.000761268
 C      2.064363      0.822469     -0.721707    0.00  -0.000354083  -0.000099489  -0.000319822
 C      1.122944      1.257272      0.407465    0.00   0.000114721  -0.000201017   0.000113279
 C      0.062021      0.248163      0.810055    0.00  -0.000074864  -0.000114551   0.000051062
 C      1.268297     -1.920337      0.591529    0.00   0.000670843   0.000182961   0.000693502
 H      2.672382      1.699499     -1.027186    0.00  -0.000057502  -0.000007548  -0.000047912
 H      3.388837     -0.207184      0.678451    0.00   0.000046238   0.000019582  -0.000120122
 H      3.890668     -0.305888     -1.007164    0.00  -0.000066314  -0.000006025  -0.000099769
 H      1.804717     -1.744394     -1.496313    0.00  -0.000041781  -0.000025531   0.000054416
 H      3.041837     -2.503496     -0.486380    0.00  -0.000002776   0.000004190  -0.000019247
 H      1.724966      1.480722      1.327571    0.00   0.000027746  -0.000063269  -0.000014025
 H      1.680020     -1.779164      1.605626    0.00   0.000080461   0.000072169  -0.000004732
 H      0.802398     -2.925616      0.511233    0.00   0.000100256   0.000032491   0.000125581
 H      1.465892      0.555433     -1.619091    0.00  -0.000055097  -0.000013718   0.000006252
 O     -0.948163      0.551638      1.421257    0.00  -0.000406081   0.000062610  -0.000787646
 C      0.364360      2.522248     -0.022451    0.00   0.000388421   0.000152948   0.000763771
 H     -0.281518      2.895690      0.785258    0.00   0.000044854  -0.000011205   0.000075904
 H      1.045794      3.328427     -0.308091    0.00   0.000043072   0.000003342   0.000096466
 H     -0.299495      2.318027     -0.878911    0.00   0.000034507   0.000062162   0.000071914
 H     -2.418789     -0.317161      0.877025    0.00  -0.000007779  -0.000017417  -0.000031061
 O      0.087996     -1.093233      0.471338    0.00   0.000410116  -0.000353006   0.001154402
 O     -2.160172      0.467488     -1.407503    0.00  -0.000310476   0.000176472  -0.000318520
 C     -3.098375     -0.188003     -1.008830    0.00  -0.000287890   0.000207205  -0.000245391
 H     -3.967360     -0.543021     -1.565936    0.00  -0.000032061   0.000040224  -0.000014447
 O     -3.206910     -0.594880      0.275793    0.00  -0.000219586  -0.000089813  -0.000443223
26
 Energy =      -0.309678780617
 C      2.296462     -1.683199     -0.501910    0.00  -0.000042686  -0.000041534   0.000020507
 C      2.997585     -0.331001     -0.360336    0.00  -0.000027780   0.000027049  -0.000770154
 C      2.059294      0.821077     -0.726319    0.00  -0.000363541  -0.000097680  -0.000319760
 C      1.124555      1.254268      0.409177    0.00   0.000117315  -0.000198557   0.000117616
 C      0.061562      0.246725      0.810484    0.00  -0.000074142  -0.000110081   0.000052098
 C      1.277532     -1.917614      0.601275    0.00   0.000664936   0.000194061   0.000687846
 H      2.663804      1.699141     -1.035869    0.00  -0.000058425  -0.000007598  -0.000047895
 H      3.398666     -0.203351      0.663328    0.00   0.000044902   0.000019270  -0.000122172
 H      3.883684     -0.306317     -1.026965    0.00  -0.000068768  -0.000006753  -0.000100106
 H      1.795896     -1.749253     -1.491694    0.00  -0.000042287  -0.000025538   0.000054932
 H      3.042366     -2.503405     -0.489593    0.00  -0.000003915   0.000004077  -0.000018976
 H      1.731243      1.470497      1.327884    0.00   0.000027863  -0.000064033  -0.000014709
 H      1.696084     -1.766562      1.611113    0.00   0.000079352   0.000072778  -0.000005757
 H      0.815917     -2.925700      0.532246    0.00   0.000100039   0.000034089   0.000124757
 H      1.455438      0.553055     -1.619771    0.00  -0.000056078  -0.000013288   0.000006928
 O     -0.953002      0.552527      1.413319    0.00  -0.000400717   0.000058551  -0.000786660
 C      0.369858      2.524591     -0.011572    0.00   0.000402691   0.000158182   0.000782172
 H     -0.274479      2.894552      0.798995    0.00   0.000046252  -0.000011201   0.000077389
 H      1.053704      3.330518     -0.292091    0.00   0.000044639   0.000002901   0.000098744
 H     -0.295191      2.328339     -0.868878    0.00   0.000036271   0.000063805   0.000074102
 H     -2.420040     -0.320110      0.872135    0.00  -0.000007867  -0.000017294  -0.000031067
 O      0.092234     -1.097155      0.483331    0.00   0.000408588  -0.000336587   0.001151314
 O     -2.163300      0.469148     -1.410925    0.00  -0.000287872   0.000136028  -0.000329767
 C     -3.102384     -0.185144     -1.012336    0.00  -0.000281835   0.000198042  -0.000247741
 H     -3.973247     -0.536468     -1.568854    0.00  -0.000031699   0.000040196  -0.000014243
 O     -3.209253     -0.595781      0.271186    0.00  -0.000225236  -0.000078886  -0.000439397
26
 Energy =      -0.309848811854
 C      2.295955     -1.683832     -0.501792    0.00  -0.000053574  -0.000039830   0.000020158
 C      2.997044     -0.330538     -0.371231    0.00  -0.000042320   0.000024644  -0.000778766
 C      2.054116      0.819714     -0.730915    0.00  -0.000372383  -0.000095634  -0.000319255
 C      1.126196      1.251299      0.410948    0.00   0.000120203  -0.000196232   0.000122041
 C      0.061109      0.245347      0.810933    0.00  -0.000073145  -0.000105596   0.000053372
 C      1.286653     -1.914748      0.610910    0.00   0.000659326   0.000204936   0.000682146
 H      2.655116      1.698777     -1.044526    0.00  -0.000059244  -0.000007593  -0.000047792
 H      3.408321     -0.199554      0.647974    0.00   0.000043576   0.000018910  -0.000124135
 H      3.876356     -0.306864     -1.046848    0.00  -0.000071157  -0.000007480  -0.000100417
 H      1.786974     -1.754122     -1.486996    0.00  -0.000042836  -0.000025483   0.000055411
 H      3.042688     -2.503324     -0.492763    0.00  -0.000005071   0.000003969  -0.000018775
 H      1.737593      1.460172      1.328173    0.00   0.000027993  -0.000064756  -0.000015355
 H      1.711946     -1.753840      1.616369    0.00   0.000078323   0.000073342  -0.000006731
 H      0.829397     -2.925517      0.553117    0.00   0.000099816   0.000035602   0.000123911
 H      1.444831      0.550752     -1.620368    0.00  -0.000056995  -0.000012795   0.000007572
 O     -0.957763      0.553371      1.405406    0.00  -0.000395191   0.000055178  -0.000785927
 C      0.375537      2.527001     -0.000470    0.00   0.000417178   0.000162759   0.000800235
 H     -0.267239      2.893437      0.812958    0.00   0.000047681  -0.000011209   0.000078859
 H      1.061886      3.332594     -0.275777    0.00   0.000046224   0.000002407   0.000100909
 H     -0.290678      2.338888     -0.858601    0.00   0.000038011   0.000065335   0.000076283
 H     -2.421299     -0.323022      0.867254    0.00  -0.000007948  -0.000017123  -0.000031077
 O      0.096444     -1.100889      0.495264    0.00   0.000407258  -0.000320480   0.001149151
 O     -2.166191      0.470389     -1.414458    0.00  -0.000267774   0.000097273  -0.000341576
 C     -3.106300     -0.182428     -1.015857    0.00  -0.000276205   0.000188576  -0.000250356
 H     -3.979090     -0.529973     -1.571731    0.00  -0.000031356   0.000040004  -0.000014086
 O     -3.211645     -0.596566      0.266626    0.00  -0.000230392  -0.000068725  -0.000435800
26
 Energy =      -0.310019518003
 C      2.295295     -1.684443     -0.501682    0.00  -0.000064494  -0.000038008   0.000019628
 C      2.996299     -0.330109     -0.382202    0.00  -0.000056746   0.000022143  -0.000787061
 C      2.048841      0.818385     -0.735485    0.00  -0.000380625  -0.000093349  -0.000318318
 C      1.127872      1.248366      0.412776    0.00   0.000123355  -0.000194019   0.000126534
 C      0.060664      0.244030      0.811405    0.00  -0.000071884  -0.000101085   0.000054866
 C      1.295660     -1.911742      0.620429    0.00   0.000653946   0.000215573   0.000676370
 H      2.646339      1.698414     -1.053136    0.00  -0.000059963  -0.000007536  -0.000047608
 H      3.417795     -0.195802      0.632404    0.00   0.000042255   0.000018507  -0.000126010
 H      3.868691     -0.307530     -1.066792    0.00  -0.000073487  -0.000008205  -0.000100695
 H      1.777955     -1.758984     -1.482223    0.00  -0.000043420  -0.000025370   0.000055856
 H      3.042803     -2.503253     -0.495901    0.00  -0.000006243   0.000003865  -0.000018635
 H      1.744009      1.449759      1.328439    0.00   0.000028135  -0.000065434  -0.000015964
 H      1.727605     -1.741017      1.621391    0.00   0.000077362   0.000073858  -0.000007660
 H      0.842831     -2.925072      0.573830    0.00   0.000099586   0.000037037   0.000123039
 H      1.434095      0.548536     -1.620881    0.00  -0.000057850  -0.000012242   0.000008187
 O     -0.962441      0.554178      1.397522    0.00  -0.000389457   0.000052418  -0.000785378
 C      0.381394      2.529467      0.010841    0.00   0.000431816   0.000166701   0.000817920
 H     -0.259799      2.892344      0.827133    0.00   0.000049141  -0.000011226   0.000080312
 H      1.070333      3.334637     -0.259178    0.00   0.000047821   0.000001867   0.000102953
 H     -0.285964      2.349652     -0.848085    0.00   0.000039719   0.000066748   0.000078450
 H     -2.422565     -0.325889      0.862382    0.00  -0.000008020  -0.000016914  -0.000031095
 O      0.100628     -1.104437      0.507137    0.00   0.000406103  -0.000304632   0.001147756
 O     -2.168867      0.471230     -1.418104    0.00  -0.000249943   0.000060062  -0.000353863
 C     -3.110129     -0.179861     -1.019393    0.00  -0.000271008   0.000178872  -0.000253188
 H     -3.984885     -0.523562     -1.574568    0.00  -0.000031037   0.000039674  -0.000013966
 O     -3.214079     -0.597244      0.262116    0.00  -0.000235061  -0.000059305  -0.000432427
26
 Energy =      -0.310190985735
 C      2.294481     -1.685029     -0.501582    0.00  -0.000075438  -0.000036073   0.000018947
 C      2.995354     -0.329715     -0.393237    0.00  -0.000071077   0.000019562  -0.000794989
 C      2.043481      0.817094     -0.740022    0.00  -0.000388285  -0.000090829  -0.000316965
 C      1.129584      1.245468      0.414660    0.00   0.000126741  -0.000191888   0.000131073
 C      0.060233      0.242774      0.811900    0.00  -0.000070369  -0.000096545   0.000056569
 C      1.304550     -1.908605      0.629827    0.00   0.000648727   0.000225958   0.000670478
 H      2.637488      1.698055     -1.061679    0.00  -0.000060584  -0.000007431  -0.000047347
 H      3.427083     -0.192105      0.616631    0.00   0.000040935   0.000018061  -0.000127800
 H      3.860698     -0.308315     -1.086776    0.00  -0.000075761  -0.000008925  -0.000100934
 H      1.768841     -1.763829     -1.477379    0.00  -0.000044033  -0.000025201   0.000056269
 H      3.042711     -2.503192     -0.499015    0.00  -0.000007429   0.000003766  -0.000018547
 H      1.750486      1.439270      1.328679    0.00   0.000028284  -0.000066062  -0.000016539
 H      1.743061     -1.728109      1.626176    0.00   0.000076455   0.000074325  -0.000008552
 H      0.856215     -2.924371      0.594369    0.00   0.000099342   0.000038396   0.000122134
 H      1.423248      0.546418     -1.621308    0.00  -0.000058645  -0.000011631   0.000008776
 O     -0.967032      0.554953      1.389669    0.00  -0.000383472   0.000050204  -0.000784938
 C      0.387428      2.531977      0.022348    0.00   0.000446538   0.000170021   0.000835176
 H     -0.252156      2.891269      0.841505    0.00   0.000050630  -0.000011252   0.000081744
 H      1.079038      3.336633     -0.242322    0.00   0.000049425   0.000001283   0.000104866
 H     -0.281053      2.360605     -0.837334    0.00   0.000041385   0.000068041   0.000080603
 H     -2.423836     -0.328704      0.857518    0.00  -0.000008078  -0.000016678  -0.000031123
 O      0.104783     -1.107801      0.518952    0.00   0.000405097  -0.000288996   0.001146979
 O     -2.171351      0.471690     -1.421865    0.00  -0.000234161   0.000024265  -0.000366546
 C     -3.113876     -0.177446     -1.022946    0.00  -0.000266231   0.000168983  -0.000256196
 H     -3.990628     -0.517256     -1.577366    0.00  -0.000030744   0.000039228  -0.000013875
 O     -3.216548     -0.597824      0.257654    0.00  -0.000239253  -0.000050583  -0.000429263
26
 Energy =      -0.310363278606
 C      2.293515     -1.685589     -0.501492    0.00  -0.000086401  -0.000034034   0.000018144
 C      2.994213     -0.329359     -0.404327    0.00  -0.000085321   0.000016916  -0.000802503
 C      2.038046      0.815843     -0.744517    0.00  -0.000395377  -0.000088073  -0.000315203
 C      1.131335      1.242606      0.416599    0.00   0.000130331  -0.000189807   0.000135633
 C      0.059819      0.241579      0.812422    0.00  -0.000068609  -0.000091980   0.000058467
 C      1.313325     -1.905342      0.639099    0.00   0.000643607   0.000236068   0.000664430
 H      2.628581      1.697704     -1.070137    0.00  -0.000061111  -0.000007280  -0.000047011
 H      3.436180     -0.188472      0.600668    0.00   0.000039609   0.000017576  -0.000129501
 H      3.852385     -0.309221     -1.106782    0.00  -0.000077979  -0.000009638  -0.000101124
 H      1.759633     -1.768643     -1.472466    0.00  -0.000044667  -0.000024981   0.000056655
 H      3.042413     -2.503139     -0.502112    0.00  -0.000008630   0.000003671  -0.000018504
 H      1.757019      1.428713      1.328892    0.00   0.000028438  -0.000066637  -0.000017080
 H      1.758312     -1.715133      1.630725    0.00   0.000075591   0.000074738  -0.000009410
 H      0.869545     -2.923419      0.614722    0.00   0.000099081   0.000039686   0.000121188
 H      1.412311      0.544408     -1.621651    0.00  -0.000059377  -0.000010964   0.000009342
 O     -0.971533      0.555701      1.381849    0.00  -0.000377200   0.000048474  -0.000784525
 C      0.393636      2.534523      0.034039    0.00   0.000461266   0.000172728   0.000851947
 H     -0.244310      2.890209      0.856059    0.00   0.000052147  -0.000011285   0.000083150
 H      1.087993      3.338569     -0.225239    0.00   0.000051025   0.000000663   0.000106637
 H     -0.275954      2.371726     -0.826350    0.00   0.000042998   0.000069210   0.000082736
 H     -2.425110     -0.331463      0.852661    0.00  -0.000008119  -0.000016424  -0.000031164
 O      0.108911     -1.110984      0.530711    0.00   0.000404215  -0.000273532   0.001146679
 O     -2.173664      0.471786     -1.425742    0.00  -0.000220215  -0.000010223  -0.000379551
 C     -3.117545     -0.175185     -1.026517    0.00  -0.000261848   0.000158951  -0.000259338
 H     -3.996319     -0.511073     -1.580127    0.00  -0.000030479   0.000038686  -0.000013807
 O     -3.219047     -0.598314      0.253242    0.00  -0.000242978  -0.000042510  -0.000426288
26
 Energy =      -0.310536437684
 C      2.292400     -1.686120     -0.501415    0.00  -0.000097371  -0.000031893   0.000017240
 C      2.992878     -0.329041     -0.415462    0.00  -0.000099483   0.000014220  -0.000809549
 C      2.032546      0.814638     -0.748965    0.00  -0.000401913  -0.000085081  -0.000313042
 C      1.133127      1.239781      0.418593    0.00   0.000134087  -0.000187757   0.000140192
 C      0.059425      0.240446      0.812973    0.00  -0.000066612  -0.000087381   0.000060554
 C      1.321983     -1.901959      0.648243    0.00   0.000638523   0.000245875   0.000658182
 H      2.619631      1.697368     -1.078497    0.00  -0.000061546  -0.000007087  -0.000046603
 H      3.445080     -0.184909      0.584527    0.00   0.000038273   0.000017054  -0.000131112
 H      3.843758     -0.310245     -1.126791    0.00  -0.000080144  -0.000010342  -0.000101258
 H      1.750335     -1.773418     -1.467487    0.00  -0.000045314  -0.000024710   0.000057013
 H      3.041909     -2.503095     -0.505198    0.00  -0.000009843   0.000003581  -0.000018500
 H      1.763604      1.418101      1.329077    0.00   0.000028595  -0.000067150  -0.000017592
 H      1.773361     -1.702105      1.635038    0.00   0.000074760   0.000075091  -0.000010240
 H      0.882817     -2.922224      0.634876    0.00   0.000098797   0.000040907   0.000120196
 H      1.401298      0.542515     -1.621907    0.00  -0.000060049  -0.000010246   0.000009887
 O     -0.975940      0.556427      1.374064    0.00  -0.000370597   0.000047167  -0.000784053
 C      0.400013      2.537093      0.045902    0.00   0.000475911   0.000174828   0.000868166
 H     -0.236260      2.889163      0.870786    0.00   0.000053687  -0.000011324   0.000084528
 H      1.097190      3.340432     -0.207957    0.00   0.000052616   0.000000011   0.000108254
 H     -0.270674      2.382992     -0.815136    0.00   0.000044549   0.000070250   0.000084844
 H     -2.426384     -0.334163      0.847808    0.00  -0.000008142  -0.000016153  -0.000031217
 O      0.113011     -1.113989      0.542415    0.00   0.000403427  -0.000258215   0.001146726
 O     -2.175826      0.471536     -1.429738    0.00  -0.000207916  -0.000043493  -0.000392798
 C     -3.121144     -0.173078     -1.030108    0.00  -0.000257824   0.000148826  -0.000262579
 H     -4.001957     -0.505025     -1.582852    0.00  -0.000030238   0.000038064  -0.000013755
 O     -3.221570     -0.598720      0.248879    0.00  -0.000246234  -0.000035041  -0.000423483
26
 Energy =      -0.310710482082
 C      2.291136     -1.686621     -0.501352    0.00  -0.000108337  -0.000029656   0.000016249
 C      2.991354     -0.328760     -0.426633    0.00  -0.000113571   0.000011492  -0.000816074
 C      2.026989      0.813480     -0.753360    0.00  -0.000407903  -0.000081859  -0.000310490
 C      1.134961      1.236993      0.420638    0.00   0.000137975  -0.000185706   0.000144723
 C      0.059056      0.239375      0.813555    0.00  -0.000064383  -0.000082758   0.000062824
 C      1.330527     -1.898462      0.657256    0.00   0.000633416   0.000255345   0.000651694
 H      2.610652      1.697048     -1.086744    0.00  -0.000061892  -0.000006855  -0.000046125
 H      3.453782     -0.181423      0.568218    0.00   0.000036922   0.000016497  -0.000132629
 H      3.834826     -0.311388     -1.146790    0.00  -0.000082255  -0.000011035  -0.000101326
 H      1.740947     -1.778143     -1.462445    0.00  -0.000045969  -0.000024389   0.000057345
 H      3.041200     -2.503059     -0.508279    0.00  -0.000011066   0.000003496  -0.000018528
 H      1.770235      1.407441      1.329230    0.00   0.000028750  -0.000067599  -0.000018076
 H      1.788209     -1.689039      1.639115    0.00   0.000073951   0.000075377  -0.000011045
 H      0.896029     -2.920791      0.654822    0.00   0.000098485   0.000042061   0.000119148
 H      1.390226      0.540748     -1.622077    0.00  -0.000060658  -0.000009478   0.000010414
 O     -0.980250      0.557136      1.366316    0.00  -0.000363633   0.000046230  -0.000783427
 C      0.406556      2.539679      0.057925    0.00   0.000490381   0.000176325   0.000883759
 H     -0.228003      2.888129      0.885674    0.00   0.000055248  -0.000011368   0.000085870
 H      1.106621      3.342211     -0.190504    0.00   0.000054186  -0.000000670   0.000109704
 H     -0.265224      2.394381     -0.803694    0.00   0.000046026   0.000071154   0.000086923
 H     -2.427656     -0.336803      0.842959    0.00  -0.000008145  -0.000015874  -0.000031283
 O      0.117085     -1.116818      0.554068    0.00   0.000402711  -0.000243018   0.001146995
 O     -2.177852      0.470954     -1.433852    0.00  -0.000197077  -0.000075616  -0.000406215
 C     -3.124676     -0.171126     -1.033718    0.00  -0.000254121   0.000138644  -0.000265887
 H     -4.007543     -0.499123     -1.585543    0.00  -0.000030018   0.000037376  -0.000013716
 O     -3.224111     -0.599049      0.244563    0.00  -0.000249023  -0.000028115  -0.000420824
26
 Energy =      -0.310885409453
 C      2.289725     -1.687090     -0.501303    0.00  -0.000119286  -0.000027328   0.000015186
 C      2.989642     -0.328518     -0.437832    0.00  -0.000127582   0.000008744  -0.000822020
 C      2.021384      0.812372     -0.757698    0.00  -0.000413357  -0.000078407  -0.000307553
 C      1.136839      1.234243      0.422735    0.00   0.000141959  -0.000183633   0.000149199
 C      0.058714      0.238366      0.814170    0.00  -0.000061932  -0.000078110   0.000065273
 C      1.338956     -1.894858      0.666135    0.00   0.000628229   0.000264444   0.000644921
 H      2.601655      1.696750     -1.094867    0.00  -0.000062151  -0.000006588  -0.000045581
 H      3.462281     -0.178020      0.551753    0.00   0.000035550   0.000015906  -0.000134050
 H      3.825593     -0.312646     -1.166763    0.00  -0.000084313  -0.000011713  -0.000101320
 H      1.731472     -1.782809     -1.457341    0.00  -0.000046623  -0.000024021   0.000057650
 H      3.040289     -2.503031     -0.511360    0.00  -0.000012299   0.000003416  -0.000018584
 H      1.776908      1.396744      1.329352    0.00   0.000028900  -0.000067974  -0.000018533
 H      1.802857     -1.675948      1.642957    0.00   0.000073155   0.000075589  -0.000011828
 H      0.909178     -2.919129      0.674549    0.00   0.000098139   0.000043147   0.000118035
 H      1.379106      0.539113     -1.622162    0.00  -0.000061203  -0.000008664   0.000010926
 O     -0.984461      0.557830      1.358606    0.00  -0.000356272   0.000045606  -0.000782553
 C      0.413261      2.542273      0.070098    0.00   0.000504580   0.000177222   0.000898644
 H     -0.219539      2.887105      0.900714    0.00   0.000056824  -0.000011416   0.000087170
 H      1.116275      3.343895     -0.172907    0.00   0.000055725  -0.000001374   0.000110974
 H     -0.259612      2.405873     -0.792025    0.00   0.000047418   0.000071918   0.000088965
 H     -2.428922     -0.339382      0.838110    0.00  -0.000008127  -0.000015584  -0.000031359
 O      0.121133     -1.119475      0.565670    0.00   0.000402039  -0.000227928   0.001147373
 O     -2.179759      0.470056     -1.438085    0.00  -0.000187531  -0.000106649  -0.000419726
 C     -3.128147     -0.169326     -1.037351    0.00  -0.000250686   0.000128443  -0.000269236
 H     -4.013078     -0.493372     -1.588202    0.00  -0.000029815   0.000036633  -0.000013684
 O     -3.226667     -0.599309      0.240292    0.00  -0.000251341  -0.000021680  -0.000418289
26
 Energy =      -0.311061196425
 C      2.288169     -1.687528     -0.501269    0.00  -0.000130205  -0.000024913   0.000014058
 C      2.987747     -0.328315     -0.449053    0.00  -0.000141513   0.000005993  -0.000827333
 C      2.015737      0.811318     -0.761974    0.00  -0.000418278  -0.000074729  -0.000304234
 C      1.138761      1.231529      0.424883    0.00   0.000146002  -0.000181510   0.000153594
 C      0.058402      0.237419      0.814819    0.00  -0.000059263  -0.000073446   0.000067900
 C      1.347271     -1.891152      0.674879    0.00   0.000622913   0.000273129   0.000637819
 H      2.592652      1.696477     -1.102857    0.00  -0.000062327  -0.000006288  -0.000044971
 H      3.470575     -0.174705      0.535140    0.00   0.000034152   0.000015284  -0.000135370
 H      3.816066     -0.314020     -1.186697    0.00  -0.000086315  -0.000012372  -0.000101230
 H      1.721911     -1.787410     -1.452178    0.00  -0.000047269  -0.000023605   0.000057929
 H      3.039176     -2.503010     -0.514446    0.00  -0.000013539   0.000003341  -0.000018663
 H      1.783620      1.386019      1.329439    0.00   0.000029041  -0.000068271  -0.000018966
 H      1.817309     -1.662847      1.646568    0.00   0.000072365   0.000075720  -0.000012593
 H      0.922261     -2.917246      0.694050    0.00   0.000097752   0.000044165   0.000116850
 H      1.367951      0.537618     -1.622161    0.00  -0.000061682  -0.000007805   0.000011424
 O     -0.988569      0.558514      1.350938    0.00  -0.000348486   0.000045249  -0.000781329
 C      0.420124      2.544866      0.082412    0.00   0.000518406   0.000177518   0.000912735
 H     -0.210865      2.886089      0.915898    0.00   0.000058412  -0.000011469   0.000088420
 H      1.126142      3.345475     -0.155193    0.00   0.000057221  -0.000002096   0.000112053
 H     -0.253851      2.417446     -0.780130    0.00   0.000048714   0.000072536   0.000090965
 H     -2.430179     -0.341900      0.833260    0.00  -0.000008089  -0.000015287  -0.000031446
 O      0.125157     -1.121962      0.577225    0.00   0.000401384  -0.000212936   0.001147755
 O     -2.181561      0.468855     -1.442436    0.00  -0.000179121  -0.000136631  -0.000433259
 C     -3.131561     -0.167678     -1.041005    0.00  -0.000247468   0.000118254  -0.000272598
 H     -4.018563     -0.487778     -1.590829    0.00  -0.000029623   0.000035844  -0.000013660
 O     -3.229231     -0.599504      0.236066    0.00  -0.000253183  -0.000015674  -0.000415851
26
 Energy =      -0.311237799097
 C      2.286470     -1.687932     -0.501250    0.00  -0.000141076  -0.000022416   0.000012867
 C      2.985670     -0.328149     -0.460289    0.00  -0.000155358   0.000003253  -0.000831953
 C      2.010053      0.810320     -0.766184    0.00  -0.000422670  -0.000070831  -0.000300541
 C      1.140728      1.228854      0.427078    0.00   0.000150062  -0.000179318   0.000157883
 C      0.058124      0.236532      0.815506    0.00  -0.000056378  -0.000068770   0.000070702
 C      1.355473     -1.887350      0.683488    0.00   0.000617413   0.000281358   0.000630350
 H      2.583652      1.696233     -1.110705    0.00  -0.000062418  -0.000005959  -0.000044297
 H      3.478661     -0.171480      0.518389    0.00   0.000032724   0.000014631  -0.000136583
 H      3.806251     -0.315505     -1.206583    0.00  -0.000088260  -0.000013011  -0.000101046
 H      1.712265     -1.791939     -1.446957    0.00  -0.000047903  -0.000023142   0.000058180
 H      3.037863     -2.502994     -0.517541    0.00  -0.000014783   0.000003273  -0.000018763
 H      1.790366      1.375275      1.329491    0.00   0.000029168  -0.000068482  -0.000019377
 H      1.831566     -1.649747      1.649949    0.00   0.000071572   0.000075761  -0.000013340
 H      0.935276     -2.915147      0.713318    0.00   0.000097318   0.000045113   0.000115583
 H      1.356770      0.536268     -1.622075    0.00  -0.000062093  -0.000006905   0.000011911
 O     -0.992574      0.559190      1.343311    0.00  -0.000340247   0.000045110  -0.000779652
 C      0.427138      2.547451      0.094855    0.00   0.000531754   0.000177223   0.000925939
 H     -0.201980      2.885081      0.931219    0.00   0.000060006  -0.000011526   0.000089612
 H      1.136213      3.346941     -0.137390    0.00   0.000058665  -0.000002831   0.000112927
 H     -0.247953      2.429082     -0.768009    0.00   0.000049904   0.000073001   0.000092915
 H     -2.431426     -0.344356      0.828407    0.00  -0.000008031  -0.000014980  -0.000031539
 O      0.129157     -1.124283      0.588735    0.00   0.000400725  -0.000198040   0.001148041
 O     -2.183269      0.467365     -1.446907    0.00  -0.000171700  -0.000165589  -0.000446742
 C     -3.134922     -0.166179     -1.044684    0.00  -0.000244415   0.000108103  -0.000275950
 H     -4.024000     -0.482344     -1.593427    0.00  -0.000029437   0.000035017  -0.000013639
 O     -3.231801     -0.599639      0.231882    0.00  -0.000254544  -0.000010043  -0.000413488
26
 Energy =      -0.311415153542
 C      2.284629     -1.688303     -0.501247    0.00  -0.000151886  -0.000019842   0.000011618
 C      2.983413     -0.328022     -0.471533    0.00  -0.000169104   0.000000538  -0.000835825
 C      2.004339      0.809380     -0.770327    0.00  -0.000426532  -0.000066717  -0.000296474
 C      1.142742      1.226217      0.429321    0.00   0.000154107  -0.000177029   0.000162037
 C      0.057882      0.235707      0.816232    0.00  -0.000053286  -0.000064092   0.000073679
 C      1.363565     -1.883459      0.691959    0.00   0.000611685   0.000289081   0.000622472
 H      2.574664      1.696020     -1.118404    0.00  -0.000062427  -0.000005604  -0.000043562
 H      3.486537     -0.168352      0.501507    0.00   0.000031261   0.000013950  -0.000137684
 H      3.796153     -0.317100     -1.226407    0.00  -0.000090142  -0.000013626  -0.000100762
 H      1.702536     -1.796389     -1.441680    0.00  -0.000048517  -0.000022632   0.000058403
 H      3.036352     -2.502984     -0.520650    0.00  -0.000016032   0.000003211  -0.000018882
 H      1.797144      1.364520      1.329505    0.00   0.000029280  -0.000068602  -0.000019767
 H      1.845633     -1.636663      1.653103    0.00   0.000070770   0.000075704  -0.000014072
 H      0.948222     -2.912843      0.732345    0.00   0.000096831   0.000045989   0.000114228
 H      1.345571      0.535068     -1.621905    0.00  -0.000062435  -0.000005967   0.000012388
 O     -0.996472      0.559861      1.335730    0.00  -0.000331532   0.000045146  -0.000777416
 C      0.434298      2.550020      0.107419    0.00   0.000544523   0.000176340   0.000938163
 H     -0.192881      2.884078      0.946669    0.00   0.000061599  -0.000011586   0.000090737
 H      1.146475      3.348288     -0.119523    0.00   0.000060043  -0.000003575   0.000113586
 H     -0.241931      2.440760     -0.755662    0.00   0.000050978   0.000073310   0.000094806
 H     -2.432657     -0.346751      0.823548    0.00  -0.000007951  -0.000014664  -0.000031636
 O      0.133135     -1.126442      0.600203    0.00   0.000400036  -0.000183239   0.001148138
 O     -2.184895      0.465598     -1.451496    0.00  -0.000165136  -0.000193542  -0.000460108
 C     -3.138233     -0.164826     -1.048388    0.00  -0.000241467   0.000098023  -0.000279268
 H     -4.029391     -0.477071     -1.595998    0.00  -0.000029249   0.000034155  -0.000013623
 O     -3.234371     -0.599718      0.227738    0.00  -0.000255417  -0.000004731  -0.000411173
26
 Energy =      -0.311593176374
 C      2.282647     -1.688638     -0.501261    0.00  -0.000162615  -0.000017200   0.000010310
 C      2.980978     -0.327931     -0.482781    0.00  -0.000182737  -0.000002139  -0.000838890
 C      1.998599      0.808500     -0.774398    0.00  -0.000429864  -0.000062397  -0.000292041
 C      1.144801      1.223619      0.431609    0.00   0.000158096  -0.000174628   0.000166035
 C      0.057679      0.234941      0.817000    0.00  -0.000049988  -0.000059422   0.000076827
 C      1.371547     -1.879484      0.700294    0.00   0.000605687   0.000296252   0.000614142
 H      2.565695      1.695842     -1.125948    0.00  -0.000062355  -0.000005224  -0.000042767
 H      3.494201     -0.165322      0.484501    0.00   0.000029761   0.000013240  -0.000138666
 H      3.785775     -0.318800     -1.246163    0.00  -0.000091959  -0.000014214  -0.000100366
 H      1.692725     -1.800755     -1.436348    0.00  -0.000049105  -0.000022074   0.000058594
 H      3.034644     -2.502980     -0.523777    0.00  -0.000017281   0.000003156  -0.000019018
 H      1.803949      1.353764      1.329480    0.00   0.000029372  -0.000068620  -0.000020138
 H      1.859512     -1.623607      1.656034    0.00   0.000069948   0.000075543  -0.000014789
 H      0.961096     -2.910340      0.751125    0.00   0.000096284   0.000046788   0.000112774
 H      1.334363      0.534023     -1.621652    0.00  -0.000062704  -0.000004994   0.000012856
 O     -1.000262      0.560527      1.328195    0.00  -0.000322321   0.000045318  -0.000774521
 C      0.441598      2.552567      0.120095    0.00   0.000556607   0.000174881   0.000949308
 H     -0.183569      2.883080      0.962243    0.00   0.000063185  -0.000011650   0.000091785
 H      1.156918      3.349508     -0.101619    0.00   0.000061344  -0.000004321   0.000114017
 H     -0.235798      2.452461     -0.743091    0.00   0.000051929   0.000073459   0.000096628
 H     -2.433872     -0.349085      0.818680    0.00  -0.000007849  -0.000014335  -0.000031735
 O      0.137093     -1.128441      0.611633    0.00   0.000399293  -0.000168538   0.001147969
 O     -2.186447      0.463564     -1.456203    0.00  -0.000159304  -0.000220493  -0.000473286
 C     -3.141499     -0.163616     -1.052117    0.00  -0.000238569   0.000088022  -0.000282536
 H     -4.034737     -0.471961     -1.598543    0.00  -0.000029055   0.000033261  -0.000013610
 O     -3.236939     -0.599745      0.223632    0.00  -0.000255799   0.000000327  -0.000408882
26
 Energy =      -0.311771765449
 C      2.280526     -1.688938     -0.501292    0.00  -0.000173256  -0.000014491   0.000008934
 C      2.978368     -0.327877     -0.494028    0.00  -0.000196235  -0.000004765  -0.000841093
 C      1.992836      0.807682     -0.778396    0.00  -0.000432662  -0.000057876  -0.000287247
 C      1.146906      1.221059      0.433942    0.00   0.000161992  -0.000172080   0.000169839
 C      0.057516      0.234235      0.817813    0.00  -0.000046499  -0.000054762   0.000080161
 C      1.379420     -1.875432      0.708491    0.00   0.000599366   0.000302822   0.000605344
 H      2.556752      1.695701     -1.133332    0.00  -0.000062200  -0.000004823  -0.000041912
 H      3.501651     -0.162394      0.467380    0.00   0.000028218   0.000012505  -0.000139522
 H      3.775123     -0.320604     -1.265840    0.00  -0.000093705  -0.000014770  -0.000099853
 H      1.682831     -1.805030     -1.430964    0.00  -0.000049661  -0.000021472   0.000058752
 H      3.032739     -2.502979     -0.526925    0.00  -0.000018531   0.000003107  -0.000019164
 H      1.810780      1.343016      1.329414    0.00   0.000029439  -0.000068538  -0.000020490
 H      1.873208     -1.610590      1.658745    0.00   0.000069113   0.000075264  -0.000015492
 H      0.973897     -2.907648      0.769653    0.00   0.000095670   0.000047506   0.000111218
 H      1.323151      0.533137     -1.621315    0.00  -0.000062899  -0.000003986   0.000013317
 O     -1.003941      0.561192      1.320711    0.00  -0.000312591   0.000045585  -0.000770851
 C      0.449032      2.555085      0.132873    0.00   0.000567910   0.000172862   0.000959279
 H     -0.174039      2.882085      0.977936    0.00   0.000064755  -0.000011717   0.000092745
 H      1.167529      3.350596     -0.083704    0.00   0.000062557  -0.000005065   0.000114215
 H     -0.229569      2.464167     -0.730295    0.00   0.000052748   0.000073443   0.000098374
 H     -2.435068     -0.351357      0.813803    0.00  -0.000007735  -0.000013992  -0.000031831
 O      0.141032     -1.130285      0.623028    0.00   0.000398486  -0.000153952   0.001147420
 O     -2.187935      0.461275     -1.461028    0.00  -0.000154087  -0.000246450  -0.000486213
 C     -3.144720     -0.162547     -1.055875    0.00  -0.000235675   0.000078139  -0.000285730
 H     -4.040039     -0.467012     -1.601066    0.00  -0.000028851   0.000032345  -0.000013599
 O     -3.239501     -0.599723      0.219561    0.00  -0.000255665   0.000005160  -0.000406598
26
 Energy =      -0.311950800647
 C      2.278267     -1.689201     -0.501341    0.00  -0.000183777  -0.000011728   0.000007488
 C      2.975583     -0.327859     -0.505270    0.00  -0.000209582  -0.000007324  -0.000842382
 C      1.987055      0.806928     -0.782319    0.00  -0.000434923  -0.000053169  -0.000282089
 C      1.149056      1.218540      0.436317    0.00   0.000165766  -0.000169372   0.000173429
 C      0.057398      0.233587      0.818672    0.00  -0.000042812  -0.000050122   0.000083662
 C      1.387188     -1.871309      0.716550    0.00   0.000592692   0.000308742   0.000596029
 H      2.547841      1.695601     -1.140552    0.00  -0.000061966  -0.000004405  -0.000041004
 H      3.508885     -0.159569      0.450148    0.00   0.000026632   0.000011743  -0.000140247
 H      3.764199     -0.322507     -1.285432    0.00  -0.000095374  -0.000015291  -0.000099213
 H      1.672854     -1.809212     -1.425528    0.00  -0.000050183  -0.000020821   0.000058874
 H      3.030640     -2.502982     -0.530100    0.00  -0.000019777   0.000003065  -0.000019327
 H      1.817633      1.332285      1.329304    0.00   0.000029480  -0.000068343  -0.000020822
 H      1.886725     -1.597626      1.661240    0.00   0.000068248   0.000074865  -0.000016181
 H      0.986622     -2.904775      0.787922    0.00   0.000094984   0.000048142   0.000109550
 H      1.311941      0.532415     -1.620896    0.00  -0.000063017  -0.000002951   0.000013770
 O     -1.007507      0.561856      1.313279    0.00  -0.000302340   0.000045912  -0.000766304
 C      0.456594      2.557570      0.145745    0.00   0.000578338   0.000170299   0.000967980
 H     -0.164292      2.881092      0.993743    0.00   0.000066300  -0.000011789   0.000093607
 H      1.178296      3.351549     -0.065801    0.00   0.000063668  -0.000005801   0.000114170
 H     -0.223257      2.475862     -0.717274    0.00   0.000053430   0.000073264   0.000100034
 H     -2.436243     -0.353567      0.808912    0.00  -0.000007594  -0.000013633  -0.000031923
 O      0.144953     -1.131975      0.634391    0.00   0.000397575  -0.000139491   0.001146436
 O     -2.189364      0.458740     -1.465971    0.00  -0.000149387  -0.000271401  -0.000498825
 C     -3.147899     -0.161614     -1.059662    0.00  -0.000232721   0.000068379  -0.000288836
 H     -4.045297     -0.462225     -1.603568    0.00  -0.000028626   0.000031402  -0.000013592
 O     -3.242053     -0.599653      0.215523    0.00  -0.000255033   0.000009830  -0.000404284
26
 Energy =      -0.312130144806
 C      2.275869     -1.689429     -0.501409    0.00  -0.000194170  -0.000008920   0.000005965
 C      2.972625     -0.327875     -0.516502    0.00  -0.000222741  -0.000009810  -0.000842704
 C      1.981256      0.806240     -0.786165    0.00  -0.000436641  -0.000048281  -0.000276581
 C      1.151252      1.216061      0.438734    0.00   0.000169378  -0.000166483   0.000176784
 C      0.057325      0.232997      0.819580    0.00  -0.000038944  -0.000045515   0.000087338
 C      1.394850     -1.867121      0.724471    0.00   0.000585622   0.000313964   0.000586177
 H      2.538968      1.695543     -1.147605    0.00  -0.000061653  -0.000003971  -0.000040041
 H      3.515901     -0.156852      0.432813    0.00   0.000025000   0.000010959  -0.000140830
 H      3.753007     -0.324506     -1.304930    0.00  -0.000096962  -0.000015777  -0.000098442
 H      1.662794     -1.813294     -1.420043    0.00  -0.000050661  -0.000020122   0.000058958
 H      3.028346     -2.502988     -0.533306    0.00  -0.000021022   0.000003030  -0.000019500
 H      1.824505      1.321578      1.329150    0.00   0.000029489  -0.000068035  -0.000021138
 H      1.900067     -1.584727      1.663522    0.00   0.000067355   0.000074336  -0.000016856
 H      0.999271     -2.901731      0.805928    0.00   0.000094218   0.000048687   0.000107766
 H      1.300736      0.531858     -1.620395    0.00  -0.000063055  -0.000001890   0.000014217
 O     -1.010959      0.562520      1.305904    0.00  -0.000291549   0.000046271  -0.000760775
 C      0.464276      2.560015      0.158704    0.00   0.000587798   0.000167222   0.000975324
 H     -0.154326      2.880101      1.009660    0.00   0.000067814  -0.000011865   0.000094357
 H      1.189207      3.352362     -0.047936    0.00   0.000064666  -0.000006522   0.000113877
 H     -0.216877      2.487527     -0.704029    0.00   0.000053972   0.000072916   0.000101596
 H     -2.437394     -0.355714      0.804007    0.00  -0.000007439  -0.000013256  -0.000032005
 O      0.148860     -1.133517      0.645726    0.00   0.000396556  -0.000125167   0.001144921
 O     -2.190742      0.455969     -1.471031    0.00  -0.000145108  -0.000295347  -0.000511053
 C     -3.151038     -0.160814     -1.063480    0.00  -0.000229667   0.000058759  -0.000291833
 H     -4.050511     -0.457598     -1.606054    0.00  -0.000028382   0.000030437  -0.000013587
 O     -3.244592     -0.599538      0.211515    0.00  -0.000253875   0.000014382  -0.000401935
26
 Energy =      -0.312309644787
 C      2.273334     -1.689619     -0.501496    0.00  -0.000204410  -0.000006077   0.000004366
 C      2.969493     -0.327926     -0.527721    0.00  -0.000235690  -0.000012210  -0.000842012
 C      1.975444      0.805619     -0.789934    0.00  -0.000437808  -0.000043232  -0.000270731
 C      1.153492      1.213623      0.441191    0.00   0.000172797  -0.000163411   0.000179892
 C      0.057301      0.232464      0.820542    0.00  -0.000034890  -0.000040952   0.000091171
 C      1.402408     -1.862874      0.732255    0.00   0.000578142   0.000318442   0.000575733
 H      2.530136      1.695530     -1.154489    0.00  -0.000061258  -0.000003522  -0.000039025
 H      3.522696     -0.154242      0.415380    0.00   0.000023317   0.000010150  -0.000141266
 H      3.741550     -0.326596     -1.324329    0.00  -0.000098457  -0.000016221  -0.000097528
 H      1.652650     -1.817272     -1.414510    0.00  -0.000051092  -0.000019377   0.000059000
 H      3.025858     -2.502996     -0.536547    0.00  -0.000022258   0.000003003  -0.000019688
 H      1.831396      1.310906      1.328950    0.00   0.000029468  -0.000067601  -0.000021437
 H      1.913239     -1.571905      1.665594    0.00   0.000066419   0.000073681  -0.000017515
 H      1.011841     -2.898523      0.823665    0.00   0.000093367   0.000049139   0.000105857
 H      1.289540      0.531472     -1.619813    0.00  -0.000063012  -0.000000809   0.000014658
 O     -1.014294      0.563184      1.298588    0.00  -0.000280233   0.000046640  -0.000754179
 C      0.472072      2.562417      0.171740    0.00   0.000596201   0.000163658   0.000981220
 H     -0.144140      2.879110      1.025682    0.00   0.000069285  -0.000011944   0.000094989
 H      1.200250      3.353035     -0.030133    0.00   0.000065546  -0.000007226   0.000113333
 H     -0.210442      2.499147     -0.690561    0.00   0.000054370   0.000072404   0.000103050
 H     -2.438519     -0.357798      0.799085    0.00  -0.000007265  -0.000012855  -0.000032075
 O      0.152754     -1.134913      0.657038    0.00   0.000395391  -0.000110998   0.001142840
 O     -2.192073      0.452970     -1.476209    0.00  -0.000141161  -0.000318265  -0.000522850
 C     -3.154138     -0.160145     -1.067330    0.00  -0.000226464   0.000049281  -0.000294703
 H     -4.055682     -0.453131     -1.608524    0.00  -0.000028103   0.000029440  -0.000013590
 O     -3.247116     -0.599379      0.207534    0.00  -0.000252203   0.000018864  -0.000399512
26
 Energy =      -0.312489132704
 C      2.270661     -1.689772     -0.501605    0.00  -0.000214487  -0.000003202   0.000002667
 C      2.966189     -0.328008     -0.538923    0.00  -0.000248391  -0.000014509  -0.000840265
 C      1.969619      0.805067     -0.793624    0.00  -0.000438418  -0.000038038  -0.000264529
 C      1.155776      1.211226      0.443686    0.00   0.000176007  -0.000160104   0.000182698
 C      0.057327      0.231987      0.821558    0.00  -0.000030669  -0.000036455   0.000095176
 C      1.409865     -1.858575      0.739901    0.00   0.000570189   0.000322134   0.000564723
 H      2.521351      1.695565     -1.161202    0.00  -0.000060786  -0.000003065  -0.000037963
 H      3.529268     -0.151743      0.397855    0.00   0.000021590   0.000009322  -0.000141544
 H      3.729829     -0.328774     -1.343623    0.00  -0.000099854  -0.000016622  -0.000096474
 H      1.642421     -1.821143     -1.408930    0.00  -0.000051474  -0.000018586   0.000058996
 H      3.023176     -2.503006     -0.539829    0.00  -0.000023490   0.000002980  -0.000019884
 H      1.838301      1.300276      1.328702    0.00   0.000029409  -0.000067047  -0.000021713
 H      1.926246     -1.559172      1.667462    0.00   0.000065455   0.000072879  -0.000018160
 H      1.024329     -2.895162      0.841129    0.00   0.000092424   0.000049491   0.000103825
 H      1.278356      0.531257     -1.619150    0.00  -0.000062884   0.000000293   0.000015093
 O     -1.017510      0.563851      1.291338    0.00  -0.000268394   0.000046996  -0.000746398
 C      0.479976      2.564771      0.184847    0.00   0.000603492   0.000159642   0.000985589
 H     -0.133732      2.878118      1.041806    0.00   0.000070704  -0.000012031   0.000095488
 H      1.211411      3.353565     -0.012413    0.00   0.000066288  -0.000007901   0.000112537
 H     -0.203969      2.510707     -0.676871    0.00   0.000054623   0.000071728   0.000104388
 H     -2.439617     -0.359815      0.794144    0.00  -0.000007078  -0.000012430  -0.000032127
 O      0.156637     -1.136166      0.668331    0.00   0.000394081  -0.000097002   0.001140060
 O     -2.193361      0.449750     -1.481504    0.00  -0.000137477  -0.000340160  -0.000534149
 C     -3.157199     -0.159604     -1.071216    0.00  -0.000223064   0.000039966  -0.000297442
 H     -4.060809     -0.448823     -1.610985    0.00  -0.000027796   0.000028422  -0.000013595
 O     -3.249621     -0.599176      0.203578    0.00  -0.000250000   0.000023301  -0.000396998
26
 Energy =      -0.312668427255
 C      2.267850     -1.689887     -0.501736    0.00  -0.000224374  -0.000000316   0.000000868
 C      2.962713     -0.328123     -0.550105    0.00  -0.000260810  -0.000016704  -0.000837418
 C      1.963783      0.804586     -0.797234    0.00  -0.000438460  -0.000032708  -0.000258005
 C      1.158104      1.208873      0.446219    0.00   0.000178962  -0.000156577   0.000185216
 C      0.057407      0.231565      0.822634    0.00  -0.000026291  -0.000031991   0.000099338
 C      1.417221     -1.854230      0.747408    0.00   0.000561761   0.000324998   0.000553098
 H      2.512615      1.695648     -1.167743    0.00  -0.000060233  -0.000002600  -0.000036853
 H      3.535615     -0.149357      0.380242    0.00   0.000019814   0.000008472  -0.000141660
 H      3.717849     -0.331036     -1.362806    0.00  -0.000101147  -0.000016975  -0.000095269
 H      1.632104     -1.824900     -1.403307    0.00  -0.000051799  -0.000017749   0.000058944
 H      3.020298     -2.503017     -0.543157    0.00  -0.000024712   0.000002965  -0.000020092
 H      1.845221      1.289698      1.328405    0.00   0.000029314  -0.000066368  -0.000021973
 H      1.939093     -1.546541      1.669127    0.00   0.000064446   0.000071939  -0.000018787
 H      1.036733     -2.891657      0.858313    0.00   0.000091386   0.000049740   0.000101664
 H      1.267186      0.531218     -1.618407    0.00  -0.000062671   0.000001406   0.000015521
 O     -1.020605      0.564520      1.284157    0.00  -0.000256026   0.000047314  -0.000737367
 C      0.487979      2.567074      0.198015    0.00   0.000609584   0.000155210   0.000988360
 H     -0.123102      2.877125      1.058026    0.00   0.000072064  -0.000012115   0.000095844
 H      1.222679      3.353953      0.005201    0.00   0.000066892  -0.000008548   0.000111490
 H     -0.197470      2.522192     -0.662960    0.00   0.000054732   0.000070892   0.000105600
 H     -2.440687     -0.361765      0.789183    0.00  -0.000006871  -0.000011974  -0.000032160
 O      0.160511     -1.137280      0.679609    0.00   0.000392582  -0.000083216   0.001136544
 O     -2.194610      0.446316     -1.486918    0.00  -0.000133976  -0.000361009  -0.000544906
 C     -3.160222     -0.159188     -1.075139    0.00  -0.000219436   0.000030805  -0.000300016
 H     -4.065891     -0.444673     -1.613437    0.00  -0.000027450   0.000027377  -0.000013608
 O     -3.252106     -0.598928      0.199644    0.00  -0.000247278   0.000027732  -0.000394373
26
 Energy =      -0.312847335193
 C      2.264901     -1.689964     -0.501891    0.00  -0.000234053   0.000002569  -0.000001043
 C      2.959064     -0.328268     -0.561265    0.00  -0.000272900  -0.000018781  -0.000833439
 C      1.957938      0.804177     -0.800764    0.00  -0.000437936  -0.000027268  -0.000251159
 C      1.160474      1.206564      0.448788    0.00   0.000181645  -0.000152805   0.000187418
 C      0.057542      0.231197      0.823772    0.00  -0.000021773  -0.000027592   0.000103644
 C      1.424478     -1.849846      0.754777    0.00   0.000552823   0.000327006   0.000540854
 H      2.503932      1.695783     -1.174110    0.00  -0.000059600  -0.000002128  -0.000035701
 H      3.541734     -0.147085      0.362547    0.00   0.000017992   0.000007604  -0.000141606
 H      3.705610     -0.333377     -1.381873    0.00  -0.000102326  -0.000017278  -0.000093914
 H      1.621699     -1.828541     -1.397641    0.00  -0.000052067  -0.000016865   0.000058841
 H      3.017225     -2.503030     -0.546537    0.00  -0.000025924   0.000002956  -0.000020309
 H      1.852153      1.279181      1.328057    0.00   0.000029180  -0.000065564  -0.000022214
 H      1.951784     -1.534024      1.670593    0.00   0.000063395   0.000070853  -0.000019398
 H      1.049051     -2.888018      0.875213    0.00   0.000090245   0.000049882   0.000099375
 H      1.256031      0.531356     -1.617584    0.00  -0.000062368   0.000002530   0.000015943
 O     -1.023576      0.565191      1.277052    0.00  -0.000243157   0.000047582  -0.000726989
 C      0.496075      2.569322      0.211239    0.00   0.000614431   0.000150410   0.000989471
 H     -0.112250      2.876129      1.074341    0.00   0.000073352  -0.000012202   0.000096043
 H      1.234040      3.354200      0.022689    0.00   0.000067347  -0.000009161   0.000110197
 H     -0.190959      2.533589     -0.648830    0.00   0.000054698   0.000069901   0.000106675
 H     -2.441727     -0.363643      0.784199    0.00  -0.000006653  -0.000011488  -0.000032170
 O      0.164379     -1.138257      0.690876    0.00   0.000390889  -0.000069653   0.001132206
 O     -2.195823      0.442673     -1.492450    0.00  -0.000130603  -0.000380799  -0.000555063
 C     -3.163207     -0.158894     -1.079101    0.00  -0.000215547   0.000021796  -0.000302417
 H     -4.070926     -0.440682     -1.615886    0.00  -0.000027063   0.000026302  -0.000013627
 O     -3.254566     -0.598636      0.195728    0.00  -0.000244028   0.000032191  -0.000391616
26
 Energy =      -0.313025652933
 C      2.261811     -1.690003     -0.502072    0.00  -0.000243503   0.000005449  -0.000003071
 C      2.955242     -0.328442     -0.572400    0.00  -0.000284629  -0.000020732  -0.000828303
 C      1.952083      0.803842     -0.804213    0.00  -0.000436826  -0.000021735  -0.000244010
 C      1.162886      1.204301      0.451392    0.00   0.000184032  -0.000148787   0.000189285
 C      0.057734      0.230884      0.824976    0.00  -0.000017124  -0.000023261   0.000108086
 C      1.431636     -1.845429      0.762008    0.00   0.000543356   0.000328125   0.000527989
 H      2.495305      1.695970     -1.180303    0.00  -0.000058888  -0.000001655  -0.000034509
 H      3.547623     -0.144929      0.344774    0.00   0.000016127   0.000006720  -0.000141376
 H      3.693114     -0.335793     -1.400819    0.00  -0.000103382  -0.000017528  -0.000092404
 H      1.611201     -1.832061     -1.391936    0.00  -0.000052273  -0.000015937   0.000058681
 H      3.013953     -2.503044     -0.549974    0.00  -0.000027124   0.000002950  -0.000020535
 H      1.859095      1.268733      1.327657    0.00   0.000029004  -0.000064632  -0.000022433
 H      1.964325     -1.521634      1.671865    0.00   0.000062297   0.000069623  -0.000019990
 H      1.061279     -2.884254      0.891823    0.00   0.000089000   0.000049912   0.000096955
 H      1.244893      0.531674     -1.616681    0.00  -0.000061977   0.000003657   0.000016358
 O     -1.026422      0.565864      1.270028    0.00  -0.000229808   0.000047796  -0.000715196
 C      0.504257      2.571513      0.224510    0.00   0.000617987   0.000145289   0.000988870
 H     -0.101175      2.875129      1.090745    0.00   0.000074561  -0.000012290   0.000096078
 H      1.245483      3.354307      0.040029    0.00   0.000067645  -0.000009732   0.000108661
 H     -0.184449      2.544885     -0.634484    0.00   0.000054526   0.000068759   0.000107604
 H     -2.442736     -0.365447      0.779190    0.00  -0.000006423  -0.000010971  -0.000032153
 O      0.168242     -1.139100      0.702136    0.00   0.000388972  -0.000056341   0.001126974
 O     -2.197002      0.438829     -1.498101    0.00  -0.000127297  -0.000399531  -0.000564568
 C     -3.166152     -0.158722     -1.083106    0.00  -0.000211367   0.000012950  -0.000304627
 H     -4.075912     -0.436851     -1.618336    0.00  -0.000026633   0.000025196  -0.000013656
 O     -3.257000     -0.598299      0.191829    0.00  -0.000240254   0.000036704  -0.000388709
26
 Energy =       -0.31320316825
 C      2.258581     -1.690004     -0.502281    0.00  -0.000252704   0.000008299  -0.000005223
 C      2.951248     -0.328645     -0.583507    0.00  -0.000295942  -0.000022551  -0.000821992
 C      1.946221      0.803581     -0.807580    0.00  -0.000435134  -0.000016128  -0.000236565
 C      1.165338      1.202084      0.454030    0.00   0.000186098  -0.000144525   0.000190812
 C      0.057987      0.230624      0.826250    0.00  -0.000012350  -0.000019001   0.000112645
 C      1.438696     -1.840986      0.769098    0.00   0.000533347   0.000328339   0.000514494
 H      2.486737      1.696211     -1.186321    0.00  -0.000058096  -0.000001180  -0.000033280
 H      3.553279     -0.142892      0.326930    0.00   0.000014219   0.000005822  -0.000140962
 H      3.680363     -0.338280     -1.419639    0.00  -0.000104309  -0.000017723  -0.000090741
 H      1.600608     -1.835455     -1.386193    0.00  -0.000052412  -0.000014967   0.000058465
 H      3.010482     -2.503058     -0.553476    0.00  -0.000028311   0.000002951  -0.000020769
 H      1.866047      1.258363      1.327205    0.00   0.000028785  -0.000063573  -0.000022633
 H      1.976720     -1.509383      1.672944    0.00   0.000061152   0.000068250  -0.000020564
 H      1.073413     -2.880375      0.908138    0.00   0.000087647   0.000049828   0.000094408
 H      1.233773      0.532175     -1.615699    0.00  -0.000061496   0.000004787   0.000016765
 O     -1.029140      0.566540      1.263092    0.00  -0.000216016   0.000047955  -0.000701924
 C      0.512519      2.573645      0.237822    0.00   0.000620211   0.000139897   0.000986511
 H     -0.089877      2.874124      1.107234    0.00   0.000075679  -0.000012378   0.000095942
 H      1.256996      3.354278      0.057204    0.00   0.000067785  -0.000010259   0.000106889
 H     -0.177953      2.556069     -0.619923    0.00   0.000054219   0.000067473   0.000108379
 H     -2.443714     -0.367173      0.774157    0.00  -0.000006180  -0.000010416  -0.000032105
 O      0.172102     -1.139812      0.713394    0.00   0.000386808  -0.000043308   0.001120777
 O     -2.198148      0.434786     -1.503873    0.00  -0.000124012  -0.000417194  -0.000573376
 C     -3.169058     -0.158669     -1.087155    0.00  -0.000206859   0.000004265  -0.000306635
 H     -4.080848     -0.433181     -1.620790    0.00  -0.000026158   0.000024058  -0.000013692
 O     -3.259405     -0.597915      0.187943    0.00  -0.000235971   0.000041281  -0.000385626
26
 Energy =      -0.313379662063
 C      2.255207     -1.689967     -0.502520    0.00  -0.000261633   0.000011112  -0.000007507
 C      2.947079     -0.328875     -0.594584    0.00  -0.000306798  -0.000024232  -0.000814491
 C      1.940350      0.803397     -0.810864    0.00  -0.000432848  -0.000010475  -0.000228843
 C      1.167831      1.199915      0.456701    0.00   0.000187836  -0.000140000   0.000191981
 C      0.058301      0.230416      0.827597    0.00  -0.000007486  -0.000014821   0.000117309
 C      1.445659     -1.836523      0.776049    0.00   0.000522776   0.000327633   0.000500381
 H      2.478231      1.696508     -1.192166    0.00  -0.000057230  -0.000000709  -0.000032020
 H      3.558698     -0.140974      0.309019    0.00   0.000012275   0.000004912  -0.000140359
 H      3.667359     -0.340832     -1.438328    0.00  -0.000105097  -0.000017858  -0.000088924
 H      1.589916     -1.838719     -1.380415    0.00  -0.000052484  -0.000013955   0.000058187
 H      3.006807     -2.503074     -0.557048    0.00  -0.000029482   0.000002955  -0.000021011
 H      1.873007      1.248079      1.326699    0.00   0.000028523  -0.000062394  -0.000022808
 H      1.988975     -1.497283      1.673834    0.00   0.000059957   0.000066734  -0.000021118
 H      1.085451     -2.876392      0.924152    0.00   0.000086183   0.000049626   0.000091735
 H      1.222670      0.532860     -1.614637    0.00  -0.000060924   0.000005911   0.000017165
 O     -1.031728      0.567219      1.256252    0.00  -0.000201820   0.000048051  -0.000687124
 C      0.520853      2.575716      0.251166    0.00   0.000621083   0.000134281   0.000982369
 H     -0.078357      2.873115      1.123804    0.00   0.000076699  -0.000012465   0.000095623
 H      1.268565      3.354116      0.074194    0.00   0.000067758  -0.000010735   0.000104891
 H     -0.171483      2.567130     -0.605151    0.00   0.000053784   0.000066051   0.000108992
 H     -2.444658     -0.368816      0.769096    0.00  -0.000005930  -0.000009822  -0.000032025
 O      0.175962     -1.140396      0.724653    0.00   0.000384382  -0.000030583   0.001113546
 O     -2.199263      0.430549     -1.509766    0.00  -0.000120694  -0.000433778  -0.000581439
 C     -3.171923     -0.158734     -1.091251    0.00  -0.000202020  -0.000004276  -0.000308416
 H     -4.085729     -0.429674     -1.623253    0.00  -0.000025633   0.000022886  -0.000013738
 O     -3.261779     -0.597482      0.184067    0.00  -0.000231179   0.000045952  -0.000382354
26
 Energy =      -0.313554910331
 C      2.251688     -1.689891     -0.502793    0.00  -0.000270271   0.000013870  -0.000009922
 C      2.942736     -0.329131     -0.605627    0.00  -0.000317150  -0.000025763  -0.000805794
 C      1.934472      0.803290     -0.814065    0.00  -0.000429969  -0.000004799  -0.000220863
 C      1.170363      1.197796      0.459404    0.00   0.000189219  -0.000135236   0.000192797
 C      0.058680      0.230261      0.829022    0.00  -0.000002513  -0.000010742   0.000122037
 C      1.452524     -1.832047      0.782858    0.00   0.000511637   0.000326010   0.000485655
 H      2.469788      1.696862     -1.197836    0.00  -0.000056285  -0.000000242  -0.000030732
 H      3.563878     -0.139179      0.291046    0.00   0.000010300   0.000003992  -0.000139566
 H      3.654103     -0.343445     -1.456882    0.00  -0.000105738  -0.000017934  -0.000086956
 H      1.579122     -1.841848     -1.374605    0.00  -0.000052485  -0.000012907   0.000057844
 H      3.002927     -2.503090     -0.560697    0.00  -0.000030635   0.000002964  -0.000021262
 H      1.879976      1.237891      1.326139    0.00   0.000028216  -0.000061092  -0.000022961
 H      2.001093     -1.485347      1.674538    0.00   0.000058712   0.000065079  -0.000021652
 H      1.097387     -2.872315      0.939860    0.00   0.000084607   0.000049306   0.000088944
 H      1.211586      0.533732     -1.613494    0.00  -0.000060259   0.000007024   0.000017555
 O     -1.034182      0.567902      1.249516    0.00  -0.000187288   0.000048101  -0.000670746
 C      0.529254      2.577725      0.264537    0.00   0.000620588   0.000128504   0.000976427
 H     -0.066616      2.872101      1.140451    0.00   0.000077612  -0.000012550   0.000095116
 H      1.280180      3.353825      0.090983    0.00   0.000067563  -0.000011158   0.000102679
 H     -0.165050      2.578058     -0.590172    0.00   0.000053227   0.000064501   0.000109436
 H     -2.445570     -0.370370      0.764007    0.00  -0.000005671  -0.000009191  -0.000031907
 O      0.179823     -1.140853      0.735916    0.00   0.000381662  -0.000018187   0.001105208
 O     -2.200347      0.426120     -1.515782    0.00  -0.000117309  -0.000449284  -0.000588705
 C     -3.174745     -0.158917     -1.095397    0.00  -0.000196812  -0.000012667  -0.000309961
 H     -4.090554     -0.426333     -1.625730    0.00  -0.000025061   0.000021675  -0.000013793
 O     -3.264120     -0.597000      0.180200    0.00  -0.000225896   0.000050726  -0.000378877
26
 Energy =      -0.313728685896
 C      2.248021     -1.689776     -0.503101    0.00  -0.000278591   0.000016560  -0.000012475
 C      2.938217     -0.329412     -0.616636    0.00  -0.000326946  -0.000027144  -0.000795910
 C      1.928588      0.803262     -0.817183    0.00  -0.000426498   0.000000873  -0.000212640
 C      1.172932      1.195729      0.462138    0.00   0.000190252  -0.000130210   0.000193237
 C      0.059124      0.230158      0.830529    0.00   0.000002482  -0.000006743   0.000126834
 C      1.459293     -1.827565      0.789524    0.00   0.000499933   0.000323458   0.000470332
 H      2.461412      1.697274     -1.203333    0.00  -0.000055268   0.000000217  -0.000029420
 H      3.568815     -0.137508      0.273016    0.00   0.000008298   0.000003067  -0.000138575
 H      3.640597     -0.346114     -1.475297    0.00  -0.000106226  -0.000017949  -0.000084842
 H      1.568222     -1.844837     -1.368767    0.00  -0.000052414  -0.000011822   0.000057436
 H      2.998836     -2.503108     -0.564432    0.00  -0.000031771   0.000002976  -0.000021513
 H      1.886951      1.227807      1.325524    0.00   0.000027866  -0.000059677  -0.000023087
 H      2.013080     -1.473586      1.675057    0.00   0.000057414   0.000063296  -0.000022167
 H      1.109217     -2.868153      0.955255    0.00   0.000082920   0.000048868   0.000086038
 H      1.200519      0.534792     -1.612272    0.00  -0.000059501   0.000008126   0.000017935
 O     -1.036501      0.568588      1.242894    0.00  -0.000172439   0.000048106  -0.000652782
 C      0.537713      2.579672      0.277926    0.00   0.000618723   0.000122600   0.000968680
 H     -0.054654      2.871080      1.157168    0.00   0.000078409  -0.000012627   0.000094413
 H      1.291829      3.353411      0.107554    0.00   0.000067198  -0.000011527   0.000100264
 H     -0.158665      2.588843     -0.574989    0.00   0.000052558   0.000062834   0.000109707
 H     -2.446447     -0.371830      0.758889    0.00  -0.000005403  -0.000008516  -0.000031754
 O      0.183688     -1.141186      0.747186    0.00   0.000378626  -0.000006174   0.001095702
 O     -2.201400      0.421502     -1.521922    0.00  -0.000113812  -0.000463704  -0.000595133
 C     -3.177522     -0.159219     -1.099597    0.00  -0.000191233  -0.000020924  -0.000311251
 H     -4.095318     -0.423162     -1.628226    0.00  -0.000024436   0.000020425  -0.000013860
 O     -3.266424     -0.596464      0.176339    0.00  -0.000220140   0.000055612  -0.000375168
26
 Energy =      -0.313900760485
 C      2.244204     -1.689623     -0.503448    0.00  -0.000286565   0.000019171  -0.000015167
 C      2.933522     -0.329716     -0.627606    0.00  -0.000336140  -0.000028365  -0.000784847
 C      1.922696      0.803315     -0.820217    0.00  -0.000422433   0.000006514  -0.000204205
 C      1.175539      1.193715      0.464903    0.00   0.000190913  -0.000124956   0.000193310
 C      0.059637      0.230106      0.832121    0.00   0.000007511  -0.000002838   0.000131658
 C      1.465963     -1.823083      0.796046    0.00   0.000487660   0.000319993   0.000454439
 H      2.453105      1.697745     -1.208656    0.00  -0.000054179   0.000000665  -0.000028089
 H      3.573506     -0.135964      0.254936    0.00   0.000006275   0.000002137  -0.000137387
 H      3.626843     -0.348834     -1.493568    0.00  -0.000106554  -0.000017901  -0.000082585
 H      1.557211     -1.847682     -1.362904    0.00  -0.000052269  -0.000010706   0.000056959
 H      2.994530     -2.503129     -0.568259    0.00  -0.000032888   0.000002989  -0.000021766
 H      1.893933      1.217835      1.324854    0.00   0.000027468  -0.000058154  -0.000023186
 H      2.024938     -1.462013      1.675393    0.00   0.000056064   0.000061389  -0.000022661
 H      1.120935     -2.863918      0.970332    0.00   0.000081120   0.000048312   0.000083026
 H      1.189471      0.536044     -1.610969    0.00  -0.000058651   0.000009206   0.000018304
 O     -1.038681      0.569278      1.236394    0.00  -0.000157353   0.000048083  -0.000633217
 C      0.546226      2.581556      0.291327    0.00   0.000615494   0.000116637   0.000959140
 H     -0.042472      2.870054      1.173951    0.00   0.000079084  -0.000012700   0.000093513
 H      1.303500      3.352879      0.123891    0.00   0.000066664  -0.000011835   0.000097659
 H     -0.152339      2.599479     -0.559608    0.00   0.000051782   0.000061059   0.000109798
 H     -2.447290     -0.373190      0.753741    0.00  -0.000005131  -0.000007799  -0.000031556
 O      0.187556     -1.141396      0.758467    0.00   0.000375251   0.000005439   0.001084965
 O     -2.202421      0.416697     -1.528188    0.00  -0.000110167  -0.000477040  -0.000600675
 C     -3.180253     -0.159639     -1.103853    0.00  -0.000185261  -0.000029049  -0.000312267
 H     -4.100017     -0.420167     -1.630746    0.00  -0.000023761   0.000019133  -0.000013937
 O     -3.268689     -0.595872      0.172480    0.00  -0.000213933   0.000060616  -0.000371223
26
 Energy =      -0.314070906576
 C      2.240234     -1.689431     -0.503837    0.00  -0.000294175   0.000021681  -0.000017995
 C      2.928649     -0.330044     -0.638536    0.00  -0.000344687  -0.000029424  -0.000772632
 C      1.916798      0.803449     -0.823165    0.00  -0.000417777   0.000012099  -0.000195581
 C      1.178182      1.191756      0.467697    0.00   0.000191194  -0.000119486   0.000193015
 C      0.060220      0.230106      0.833804    0.00   0.000012546   0.000000976   0.000136485
 C      1.472535     -1.818608      0.802421    0.00   0.000474823   0.000315642   0.000438000
 H      2.444868      1.698276     -1.213805    0.00  -0.000053020   0.000001101  -0.000026743
 H      3.577948     -0.134549      0.236811    0.00   0.000004241   0.000001207  -0.000136001
 H      3.612843     -0.351600     -1.511691    0.00  -0.000106716  -0.000017788  -0.000080193
 H      1.546085     -1.850377     -1.357019    0.00  -0.000052049  -0.000009560   0.000056412
 H      2.990003     -2.503152     -0.572187    0.00  -0.000033979   0.000003005  -0.000022016
 H      1.900920      1.207984      1.324130    0.00   0.000027026  -0.000056528  -0.000023258
 H      2.036672     -1.450640      1.675549    0.00   0.000054659   0.000059364  -0.000023133
 H      1.132536     -2.859620      0.985083    0.00   0.000079212   0.000047641   0.000079916
 H      1.178442      0.537489     -1.609585    0.00  -0.000057711   0.000010261   0.000018661
 O     -1.040721      0.569972      1.230029    0.00  -0.000142099   0.000048048  -0.000612062
 C      0.554785      2.583378      0.304734    0.00   0.000610914   0.000110661   0.000947829
 H     -0.030073      2.869022      1.190794    0.00   0.000079630  -0.000012764   0.000092412
 H      1.315181      3.352235      0.139981    0.00   0.000065963  -0.000012082   0.000094881
 H     -0.146081      2.609957     -0.544032    0.00   0.000050912   0.000059185   0.000109706
 H     -2.448099     -0.374440      0.748563    0.00  -0.000004859  -0.000007042  -0.000031316
 O      0.191431     -1.141487      0.769759    0.00   0.000371509   0.000016608   0.001072937
 O     -2.203410      0.411705     -1.534581    0.00  -0.000106341  -0.000489294  -0.000605275
 C     -3.182934     -0.160178     -1.108169    0.00  -0.000178893  -0.000037050  -0.000312996
 H     -4.104646     -0.417354     -1.633295    0.00  -0.000023036   0.000017798  -0.000014025
 O     -3.270914     -0.595221      0.168623    0.00  -0.000207287   0.000065740  -0.000367028
26
 Energy =      -0.314238899373
 C      2.236106     -1.689200     -0.504271    0.00  -0.000301395   0.000024079  -0.000020949
 C      2.923598     -0.330393     -0.649424    0.00  -0.000352537  -0.000030314  -0.000759296
 C      1.910893      0.803666     -0.826028    0.00  -0.000412545   0.000017594  -0.000186790
 C      1.180860      1.189855      0.470520    0.00   0.000191098  -0.000113807   0.000192345
 C      0.060875      0.230158      0.835582    0.00   0.000017538   0.000004671   0.000141270
 C      1.479006     -1.814147      0.808647    0.00   0.000461428   0.000310426   0.000421054
 H      2.436706      1.698868     -1.218783    0.00  -0.000051796   0.000001522  -0.000025388
 H      3.582136     -0.133265      0.218647    0.00   0.000002201   0.000000282  -0.000134416
 H      3.598598     -0.354406     -1.529660    0.00  -0.000106706  -0.000017611  -0.000077674
 H      1.534838     -1.852917     -1.351117    0.00  -0.000051748  -0.000008393   0.000055793
 H      2.985251     -2.503178     -0.576224    0.00  -0.000035048   0.000003025  -0.000022259
 H      1.907913      1.198260      1.323350    0.00   0.000026539  -0.000054809  -0.000023301
 H      2.048285     -1.439477      1.675525    0.00   0.000053204   0.000057236  -0.000023585
 H      1.144014     -2.855270      0.999504    0.00   0.000077197   0.000046856   0.000076719
 H      1.167430      0.539129     -1.608118    0.00  -0.000056681   0.000011289   0.000019004
 O     -1.042617      0.570672      1.223809    0.00  -0.000126752   0.000048027  -0.000589336
 C      0.563385      2.585139      0.318138    0.00   0.000605024   0.000104719   0.000934787
 H     -0.017458      2.867984      1.207691    0.00   0.000080043  -0.000012818   0.000091107
 H      1.326862      3.351486      0.155808    0.00   0.000065095  -0.000012269   0.000091945
 H     -0.139899      2.620271     -0.528268    0.00   0.000049952   0.000057226   0.000109428
 H     -2.448874     -0.375574      0.743355    0.00  -0.000004590  -0.000006242  -0.000031034
 O      0.195312     -1.141459      0.781066    0.00   0.000367389   0.000027314   0.001059569
 O     -2.204364      0.406527     -1.541102    0.00  -0.000102269  -0.000500452  -0.000608902
 C     -3.185561     -0.160840     -1.112548    0.00  -0.000172149  -0.000044959  -0.000313380
 H     -4.109199     -0.414731     -1.635879    0.00  -0.000022258   0.000016420  -0.000014126
 O     -3.273095     -0.594507      0.164765    0.00  -0.000200235   0.000070989  -0.000362585
26
 Energy =      -0.314404518621
 C      2.231817     -1.688931     -0.504755    0.00  -0.000308190   0.000026360  -0.000024018
 C      2.918367     -0.330762     -0.660266    0.00  -0.000359653  -0.000031033  -0.000744878
 C      1.904983      0.803967     -0.828804    0.00  -0.000406744   0.000022973  -0.000177868
 C      1.183572      1.188013      0.473371    0.00   0.000190616  -0.000107956   0.000191313
 C      0.061604      0.230262      0.837459    0.00   0.000022483   0.000008272   0.000145994
 C      1.485376     -1.809706      0.814722    0.00   0.000447502   0.000304386   0.000403629
 H      2.428619      1.699522     -1.223588    0.00  -0.000050512   0.000001925  -0.000024028
 H      3.586067     -0.132116      0.200450    0.00   0.000000164  -0.000000637  -0.000132635
 H      3.584111     -0.357248     -1.547472    0.00  -0.000106521  -0.000017369  -0.000075037
 H      1.523466     -1.855297     -1.345202    0.00  -0.000051371  -0.000007206   0.000055104
 H      2.980267     -2.503210     -0.580377    0.00  -0.000036087   0.000003045  -0.000022500
 H      1.914911      1.188672      1.322516    0.00   0.000026006  -0.000053005  -0.000023313
 H      2.059779     -1.428535      1.675322    0.00   0.000051690   0.000055011  -0.000024015
 H      1.155362     -2.850877      1.013586    0.00   0.000075079   0.000045962   0.000073444
 H      1.156437      0.540966     -1.606570    0.00  -0.000055562   0.000012278   0.000019332
 O     -1.044366      0.571379      1.217746    0.00  -0.000111405   0.000048037  -0.000565097
 C      0.572019      2.586839      0.331534    0.00   0.000597846   0.000098857   0.000920059
 H     -0.004629      2.866942      1.224634    0.00   0.000080317  -0.000012859   0.000089600
 H      1.338533      3.350640      0.171361    0.00   0.000064067  -0.000012392   0.000088869
 H     -0.133802      2.630415     -0.512321    0.00   0.000048919   0.000055191   0.000108968
 H     -2.449614     -0.376582      0.738117    0.00  -0.000004314  -0.000005400  -0.000030699
 O      0.199201     -1.141315      0.792386    0.00   0.000362853   0.000037506   0.001044820
 O     -2.205283      0.401163     -1.547754    0.00  -0.000097968  -0.000510548  -0.000611481
 C     -3.188132     -0.161625     -1.116992    0.00  -0.000164966  -0.000052728  -0.000313472
 H     -4.113670     -0.412306     -1.638504    0.00  -0.000021430   0.000014994  -0.000014237
 O     -3.275230     -0.593728      0.160903    0.00  -0.000192821   0.000076337  -0.000357855
26
 Energy =      -0.314567550416
 C      2.227363     -1.688624     -0.505293    0.00  -0.000314538   0.000028501  -0.000027202
 C      2.912955     -0.331151     -0.671060    0.00  -0.000365995  -0.000031578  -0.000729424
 C      1.899066      0.804353     -0.831493    0.00  -0.000400392   0.000028204  -0.000168848
 C      1.186317      1.186233      0.476249    0.00   0.000189738  -0.000101957   0.000189922
 C      0.062407      0.230418      0.839439    0.00   0.000027343   0.000011770   0.000150607
 C      1.491642     -1.805292      0.820643    0.00   0.000433056   0.000297563   0.000385784
 H      2.420609      1.700238     -1.228221    0.00  -0.000049168   0.000002308  -0.000022670
 H      3.589738     -0.131103      0.182227    0.00  -0.000001860  -0.000001541  -0.000130664
 H      3.569385     -0.360118     -1.565122    0.00  -0.000106156  -0.000017064  -0.000072291
 H      1.511964     -1.857512     -1.339279    0.00  -0.000050914  -0.000006006   0.000054345
 H      2.975044     -2.503246     -0.584654    0.00  -0.000037093   0.000003071  -0.000022727
 H      1.921913      1.179228      1.321628    0.00   0.000025429  -0.000051125  -0.000023295
 H      2.071156     -1.417827      1.674940    0.00   0.000050123   0.000052704  -0.000024425
 H      1.166572     -2.846453      1.027323    0.00   0.000072862   0.000044964   0.000070106
 H      1.145463      0.543002     -1.604938    0.00  -0.000054360   0.000013228   0.000019645
 O     -1.045967      0.572093      1.211854    0.00  -0.000096138   0.000048106  -0.000539403
 C      0.580683      2.588480      0.344914    0.00   0.000589437   0.000093121   0.000903710
 H      0.008412      2.865895      1.241617    0.00   0.000080447  -0.000012886   0.000087894
 H      1.350181      3.349704      0.186627    0.00   0.000062884  -0.000012453   0.000085671
 H     -0.127798      2.640384     -0.496197    0.00   0.000047820   0.000053092   0.000108320
 H     -2.450321     -0.377455      0.732849    0.00  -0.000004046  -0.000004516  -0.000030317
 O      0.203098     -1.141056      0.803720    0.00   0.000357883   0.000047153   0.001028653
 O     -2.206162      0.395610     -1.554537    0.00  -0.000093379  -0.000519572  -0.000612967
 C     -3.190642     -0.162537     -1.121506    0.00  -0.000157369  -0.000060392  -0.000313220
 H     -4.118052     -0.410090     -1.641177    0.00  -0.000020554   0.000013525  -0.000014358
 O     -3.277317     -0.592878      0.157036    0.00  -0.000185060   0.000081782  -0.000352847
26
 Energy =      -0.314727788894
 C      2.222740     -1.688278     -0.505887    0.00  -0.000320409   0.000030500  -0.000030476
 C      2.907362     -0.331557     -0.681804    0.00  -0.000371524  -0.000031944  -0.000712996
 C      1.893144      0.804826     -0.834094    0.00  -0.000393510   0.000033260  -0.000159763
 C      1.189094      1.184516      0.479155    0.00   0.000188477  -0.000095836   0.000188176
 C      0.063286      0.230627      0.841528    0.00   0.000032079   0.000015144   0.000155072
 C      1.497801     -1.800912      0.826405    0.00   0.000418111   0.000290007   0.000367558
 H      2.412681      1.701016     -1.232684    0.00  -0.000047775   0.000002670  -0.000021317
 H      3.593144     -0.130229      0.163986    0.00  -0.000003865  -0.000002431  -0.000128504
 H      3.554423     -0.363012     -1.582606    0.00  -0.000105610  -0.000016695  -0.000069450
 H      1.500327     -1.859555     -1.333353    0.00  -0.000050378  -0.000004799   0.000053516
 H      2.969575     -2.503290     -0.589065    0.00  -0.000038065   0.000003099  -0.000022939
 H      1.928918      1.169934      1.320686    0.00   0.000024810  -0.000049181  -0.000023247
 H      2.082418     -1.407361      1.674380    0.00   0.000048501   0.000050325  -0.000024812
 H      1.177637     -2.842007      1.040708    0.00   0.000070554   0.000043865   0.000066713
 H      1.134506      0.545238     -1.603221    0.00  -0.000053076   0.000014132   0.000019941
 O     -1.047417      0.572817      1.206147    0.00  -0.000081048   0.000048268  -0.000512343
 C      0.589369      2.590064      0.358271    0.00   0.000579847   0.000087548   0.000885815
 H      0.021660      2.864846      1.258632    0.00   0.000080432  -0.000012897   0.000085992
 H      1.361797      3.348686      0.201594    0.00   0.000061552  -0.000012454   0.000082370
 H     -0.121893      2.650173     -0.479904    0.00   0.000046666   0.000050941   0.000107489
 H     -2.450995     -0.378182      0.727554    0.00  -0.000003781  -0.000003594  -0.000029884
 O      0.207002     -1.140684      0.815067    0.00   0.000352467   0.000056232   0.001011046
 O     -2.206998      0.389868     -1.561452    0.00  -0.000088462  -0.000527529  -0.000613308
 C     -3.193086     -0.163581     -1.126092    0.00  -0.000149360  -0.000067947  -0.000312600
 H     -4.122337     -0.408094     -1.643903    0.00  -0.000019630   0.000012010  -0.000014491
 O     -3.279353     -0.591953      0.153162    0.00  -0.000177004   0.000087307  -0.000347556
26
 Energy =      -0.314885037834
 C      2.217944     -1.687894     -0.506544    0.00  -0.000325776   0.000032343  -0.000033831
 C      2.901587     -0.331981     -0.692494    0.00  -0.000376212  -0.000032131  -0.000695655
 C      1.887216      0.805385     -0.836606    0.00  -0.000386127   0.000038108  -0.000150649
 C      1.191901      1.182864      0.482087    0.00   0.000186834  -0.000089616   0.000186086
 C      0.064241      0.230889      0.843728    0.00   0.000036663   0.000018399   0.000159352
 C      1.503850     -1.796571      0.832005    0.00   0.000402698   0.000281778   0.000349009
 H      2.404834      1.701858     -1.236977    0.00  -0.000046334   0.000003006  -0.000019978
 H      3.596283     -0.129497      0.145733    0.00  -0.000005839  -0.000003297  -0.000126164
 H      3.539227     -0.365923     -1.599918    0.00  -0.000104882  -0.000016264  -0.000066526
 H      1.488549     -1.861421     -1.327430    0.00  -0.000049760  -0.000003592   0.000052616
 H      2.963852     -2.503341     -0.593616    0.00  -0.000038997   0.000003131  -0.000023131
 H      1.935927      1.160797      1.319692    0.00   0.000024148  -0.000047181  -0.000023166
 H      2.093565     -1.397149      1.673641    0.00   0.000046827   0.000047888  -0.000025177
 H      1.188549     -2.837551      1.053734    0.00   0.000068158   0.000042674   0.000063283
 H      1.123569      0.547675     -1.601419    0.00  -0.000051713   0.000014984   0.000020217
 O     -1.048714      0.573552      1.200639    0.00  -0.000066233   0.000048544  -0.000484031
 C      0.598073      2.591593      0.371598    0.00   0.000569143   0.000082169   0.000866460
 H      0.035114      2.863795      1.275671    0.00   0.000080268  -0.000012891   0.000083898
 H      1.373371      3.347594      0.216251    0.00   0.000060076  -0.000012394   0.000078988
 H     -0.116094      2.659779     -0.463447    0.00   0.000045468   0.000048751   0.000106478
 H     -2.451637     -0.378751      0.722232    0.00  -0.000003525  -0.000002637  -0.000029399
 O      0.210914     -1.140200      0.826425    0.00   0.000346579   0.000064703   0.000991979
 O     -2.207787      0.383935     -1.568499    0.00  -0.000083176  -0.000534429  -0.000612451
 C     -3.195458     -0.164759     -1.130754    0.00  -0.000140943  -0.000075394  -0.000311587
 H     -4.126516     -0.406331     -1.646691    0.00  -0.000018659   0.000010452  -0.000014633
 O     -3.281336     -0.590949      0.149280    0.00  -0.000168685   0.000092897  -0.000341987
26
 Energy =      -0.315039112068
 C      2.212970     -1.687472     -0.507266    0.00  -0.000330611   0.000034025  -0.000037245
 C      2.895628     -0.332420     -0.703128    0.00  -0.000380036  -0.000032136  -0.000677476
 C      1.881283      0.806032     -0.839028    0.00  -0.000378265   0.000042723  -0.000141548
 C      1.194737      1.181281      0.485045    0.00   0.000184805  -0.000083347   0.000183657
 C      0.065274      0.231206      0.846045    0.00   0.000041060   0.000021532   0.000163395
 C      1.509784     -1.792276      0.837439    0.00   0.000386849   0.000272930   0.000330195
 H      2.397073      1.702762     -1.241100    0.00  -0.000044855   0.000003318  -0.000018655
 H      3.599149     -0.128909      0.127476    0.00  -0.000007775  -0.000004138  -0.000123650
 H      3.523803     -0.368844     -1.617054    0.00  -0.000103971  -0.000015773  -0.000063531
 H      1.476627     -1.863105     -1.321515    0.00  -0.000049063  -0.000002390   0.000051649
 H      2.957868     -2.503402     -0.598317    0.00  -0.000039887   0.000003168  -0.000023299
 H      1.942937      1.151824      1.318647    0.00   0.000023443  -0.000045139  -0.000023055
 H      2.104596     -1.387199      1.672723    0.00   0.000045101   0.000045403  -0.000025519
 H      1.199298     -2.833095      1.066393    0.00   0.000065682   0.000041397   0.000059826
 H      1.112650      0.550316     -1.599531    0.00  -0.000050278   0.000015779   0.000020473
 O     -1.049855      0.574302      1.195344    0.00  -0.000051787   0.000048961  -0.000454587
 C      0.606789      2.593069      0.384888    0.00   0.000557393   0.000077025   0.000845745
 H      0.048769      2.862745      1.292724    0.00   0.000079956  -0.000012866   0.000081620
 H      1.384892      3.346437      0.230589    0.00   0.000058470  -0.000012279   0.000075543
 H     -0.110406      2.669198     -0.446837    0.00   0.000044237   0.000046533   0.000105289
 H     -2.452249     -0.379152      0.716887    0.00  -0.000003281  -0.000001645  -0.000028865
 O      0.214832     -1.139607      0.837792    0.00   0.000340205   0.000072549   0.000971458
 O     -2.208523      0.377808     -1.575678    0.00  -0.000077484  -0.000540274  -0.000610343
 C     -3.197753     -0.166077     -1.135494    0.00  -0.000132119  -0.000082730  -0.000310164
 H     -4.130579     -0.404815     -1.649548    0.00  -0.000017643   0.000008854  -0.000014782
 O     -3.283263     -0.589860      0.145389    0.00  -0.000160148   0.000098520  -0.000336131
26
 Energy =      -0.315189838817
 C      2.207813     -1.687013     -0.508060    0.00  -0.000334886   0.000035536  -0.000040705
 C      2.889485     -0.332873     -0.713702    0.00  -0.000382973  -0.000031961  -0.000658531
 C      1.875344      0.806769     -0.841360    0.00  -0.000369966   0.000047081  -0.000132497
 C      1.197601      1.179766      0.488028    0.00   0.000182394  -0.000077055   0.000180904
 C      0.066384      0.231577      0.848482    0.00   0.000045233   0.000024543   0.000167158
 C      1.515601     -1.788034      0.842702    0.00   0.000370589   0.000263530   0.000311178
 H      2.389398      1.703730     -1.245056    0.00  -0.000043342   0.000003602  -0.000017355
 H      3.601740     -0.128468      0.109225    0.00  -0.000009664  -0.000004947  -0.000120972
 H      3.508153     -0.371768     -1.634009    0.00  -0.000102879  -0.000015223  -0.000060481
 H      1.464555     -1.864601     -1.315616    0.00  -0.000048286  -0.000001199   0.000050615
 H      2.951615     -2.503473     -0.603174    0.00  -0.000040728   0.000003213  -0.000023435
 H      1.949948      1.143020      1.317551    0.00   0.000022699  -0.000043063  -0.000022914
 H      2.115510     -1.377523      1.671623    0.00   0.000043325   0.000042886  -0.000025836
 H      1.209874     -2.828649      1.078677    0.00   0.000063136   0.000040043   0.000056357
 H      1.101750      0.553160     -1.597556    0.00  -0.000048775   0.000016513   0.000020707
 O     -1.050840      0.575068      1.190280    0.00  -0.000037804   0.000049546  -0.000424164
 C      0.615512      2.594495      0.398133    0.00   0.000544673   0.000072135   0.000823769
 H      0.062621      2.861697      1.309782    0.00   0.000079494  -0.000012822   0.000079169
 H      1.396351      3.345224      0.244599    0.00   0.000056743  -0.000012112   0.000072056
 H     -0.104834      2.678427     -0.430079    0.00   0.000042983   0.000044300   0.000103929
 H     -2.452832     -0.379371      0.711521    0.00  -0.000003051  -0.000000628  -0.000028282
 O      0.218754     -1.138905      0.849163    0.00   0.000333338   0.000079733   0.000949491
 O     -2.209200      0.371484     -1.582987    0.00  -0.000071344  -0.000545076  -0.000606922
 C     -3.199963     -0.167541     -1.140315    0.00  -0.000122895  -0.000089952  -0.000308301
 H     -4.134514     -0.403561     -1.652480    0.00  -0.000016584   0.000007221  -0.000014938
 O     -3.285131     -0.588683      0.141486    0.00  -0.000151430   0.000104157  -0.000330002
26
 Energy =      -0.315337058812
 C      2.202469     -1.686515     -0.508930    0.00  -0.000338579   0.000036875  -0.000044177
 C      2.883159     -0.333338     -0.724215    0.00  -0.000385009  -0.000031600  -0.000638908
 C      1.869401      0.807594     -0.843601    0.00  -0.000361269   0.000051151  -0.000123535
 C      1.200491      1.178323      0.491036    0.00   0.000179621  -0.000070764   0.000177826
 C      0.067571      0.232005      0.851042    0.00   0.000049169   0.000027405   0.000170604
 C      1.521294     -1.783851      0.847789    0.00   0.000353966   0.000253646   0.000292009
 H      2.381811      1.704762     -1.248844    0.00  -0.000041806   0.000003856  -0.000016083
 H      3.604052     -0.128175      0.090986    0.00  -0.000011496  -0.000005719  -0.000118137
 H      3.492284     -0.374690     -1.650778    0.00  -0.000101610  -0.000014620  -0.000057392
 H      1.452329     -1.865904     -1.309739    0.00  -0.000047429  -0.000000028   0.000049518
 H      2.945085     -2.503556     -0.608195    0.00  -0.000041517   0.000003264  -0.000023537
 H      1.956958      1.134392      1.316406    0.00   0.000021917  -0.000040967  -0.000022741
 H      2.126306     -1.368128      1.670341    0.00   0.000041502   0.000040350  -0.000026128
 H      1.220267     -2.824223      1.090579    0.00   0.000060524   0.000038619   0.000052890
 H      1.090870      0.556208     -1.595493    0.00  -0.000047208   0.000017182   0.000020917
 O     -1.051668      0.575855      1.185462    0.00  -0.000024406   0.000050329  -0.000392930
 C      0.624236      2.595874      0.411327    0.00   0.000531068   0.000067517   0.000800657
 H      0.076665      2.860653      1.326835    0.00   0.000078884  -0.000012756   0.000076552
 H      1.407739      3.343963      0.258272    0.00   0.000054901  -0.000011895   0.000068546
 H     -0.099381      2.687467     -0.413184    0.00   0.000041718   0.000042064   0.000102405
 H     -2.453387     -0.379395      0.706137    0.00  -0.000002835   0.000000415  -0.000027649
 O      0.222679     -1.138098      0.860533    0.00   0.000325954   0.000086244   0.000926105
 O     -2.209810      0.364959     -1.590426    0.00  -0.000064711  -0.000548849  -0.000602136
 C     -3.202080     -0.169156     -1.145220    0.00  -0.000113278  -0.000097038  -0.000305986
 H     -4.138310     -0.402586     -1.655497    0.00  -0.000015483   0.000005554  -0.000015097
 O     -3.286939     -0.587411      0.137573    0.00  -0.000142586   0.000109766  -0.000323592
26
 Energy =       -0.31548062725
 C      2.196933     -1.685981     -0.509880    0.00  -0.000341659   0.000038040  -0.000047648
 C      2.876648     -0.333814     -0.734663    0.00  -0.000386147  -0.000031061  -0.000618692
 C      1.863453      0.808509     -0.845749    0.00  -0.000352212   0.000054915  -0.000114707
 C      1.203405      1.176954      0.494066    0.00   0.000176478  -0.000064525   0.000174449
 C      0.068835      0.232490      0.853730    0.00   0.000052797   0.000030146   0.000173683
 C      1.526857     -1.779733      0.852694    0.00   0.000337015   0.000243350   0.000272776
 H      2.374313      1.705856     -1.252468    0.00  -0.000040252   0.000004080  -0.000014845
 H      3.606080     -0.128033      0.072769    0.00  -0.000013264  -0.000006448  -0.000115159
 H      3.476199     -0.377600     -1.667357    0.00  -0.000100165  -0.000013964  -0.000054278
 H      1.439946     -1.867008     -1.303891    0.00  -0.000046496   0.000001117   0.000048359
 H      2.938270     -2.503651     -0.613387    0.00  -0.000042249   0.000003325  -0.000023602
 H      1.963965      1.125944      1.315213    0.00   0.000021098  -0.000038862  -0.000022541
 H      2.136980     -1.359024      1.668875    0.00   0.000039634   0.000037804  -0.000026393
 H      1.230467     -2.819828      1.102089    0.00   0.000057855   0.000037133   0.000049438
 H      1.080010      0.559460     -1.593340    0.00  -0.000045586   0.000017781   0.000021102
 O     -1.052337      0.576665      1.180905    0.00  -0.000011647   0.000051314  -0.000361073
 C      0.632956      2.597210      0.424462    0.00   0.000516659   0.000063199   0.000776516
 H      0.090895      2.859617      1.343873    0.00   0.000078124  -0.000012671   0.000073785
 H      1.419045      3.342663      0.271602    0.00   0.000052960  -0.000011634   0.000065037
 H     -0.094052      2.696314     -0.396161    0.00   0.000040453   0.000039834   0.000100723
 H     -2.453918     -0.379211      0.700741    0.00  -0.000002637   0.000001475  -0.000026969
 O      0.226603     -1.137185      0.871897    0.00   0.000318055   0.000092057   0.000901335
 O     -2.210345      0.358229     -1.597989    0.00  -0.000057537  -0.000551598  -0.000595942
 C     -3.204095     -0.170930     -1.150210    0.00  -0.000103279  -0.000103986  -0.000303172
 H     -4.141953     -0.401908     -1.658607    0.00  -0.000014343   0.000003862  -0.000015256
 O     -3.288683     -0.586039      0.133648    0.00  -0.000133656   0.000115321  -0.000316926
26
 Energy =      -0.315620414634
 C      2.191200     -1.685409     -0.510916    0.00  -0.000344115   0.000039031  -0.000051094
 C      2.869953     -0.334299     -0.745042    0.00  -0.000386379  -0.000030338  -0.000597977
 C      1.857500      0.809515     -0.847806    0.00  -0.000342846   0.000058351  -0.000106053
 C      1.206340      1.175659      0.497120    0.00   0.000172972  -0.000058379   0.000170777
 C      0.070174      0.233033      0.856548    0.00   0.000056143   0.000032746   0.000176341
 C      1.532285     -1.775686      0.857411    0.00   0.000319779   0.000232713   0.000253536
 H      2.366906      1.707012     -1.255928    0.00  -0.000038688   0.000004274  -0.000013645
 H      3.607822     -0.128042      0.054584    0.00  -0.000014959  -0.000007132  -0.000112050
 H      3.459906     -0.380492     -1.683741    0.00  -0.000098551  -0.000013262  -0.000051152
 H      1.427401     -1.867909     -1.298081    0.00  -0.000045486   0.000002228   0.000047144
 H      2.931161     -2.503760     -0.618757    0.00  -0.000042918   0.000003394  -0.000023622
 H      1.970967      1.117681      1.313973    0.00   0.000020242  -0.000036758  -0.000022314
 H      2.147526     -1.350220      1.667222    0.00   0.000037726   0.000035262  -0.000026626
 H      1.240459     -2.815473      1.113199    0.00   0.000055139   0.000035594   0.000046014
 H      1.069170      0.562915     -1.591098    0.00  -0.000043915   0.000018307   0.000021260
 O     -1.052848      0.577505      1.176628    0.00   0.000000342   0.000052536  -0.000328783
 C      0.641667      2.598505      0.437530    0.00   0.000501538   0.000059182   0.000751486
 H      0.105305      2.858589      1.360884    0.00   0.000077220  -0.000012564   0.000070878
 H      1.430261      3.341333      0.284582    0.00   0.000050932  -0.000011334   0.000061545
 H     -0.088849      2.704969     -0.379019    0.00   0.000039195   0.000037624   0.000098889
 H     -2.454427     -0.378804      0.695337    0.00  -0.000002466   0.000002544  -0.000026248
 O      0.230523     -1.136170      0.883247    0.00   0.000309627   0.000097165   0.000875238
 O     -2.210794      0.351291     -1.605674    0.00  -0.000049781  -0.000553343  -0.000588283
 C     -3.205999     -0.172869     -1.155287    0.00  -0.000092908  -0.000110769  -0.000299846
 H     -4.145427     -0.401545     -1.661818    0.00  -0.000013164   0.000002153  -0.000015412
 O     -3.290361     -0.584562      0.129710    0.00  -0.000124678   0.000120776  -0.000310004
26
 Energy =      -0.315756307372
 C      2.185267     -1.684800     -0.512042    0.00  -0.000345926   0.000039844  -0.000054484
 C      2.863073     -0.334791     -0.755351    0.00  -0.000385718  -0.000029439  -0.000576853
 C      1.851541      0.810611     -0.849770    0.00  -0.000333223   0.000061446  -0.000097612
 C      1.209294      1.174442      0.500194    0.00   0.000169128  -0.000052336   0.000166829
 C      0.071585      0.233636      0.859498    0.00   0.000059087   0.000035237   0.000178560
 C      1.537569     -1.771716      0.861935    0.00   0.000302309   0.000221800   0.000234358
 H      2.359591      1.708230     -1.259227    0.00  -0.000037123   0.000004434  -0.000012489
 H      3.609274     -0.128204      0.036440    0.00  -0.000016575  -0.000007763  -0.000108819
 H      3.443410     -0.383358     -1.699924    0.00  -0.000096774  -0.000012517  -0.000048035
 H      1.414692     -1.868601     -1.292317    0.00  -0.000044403   0.000003300   0.000045873
 H      2.923751     -2.503884     -0.624311    0.00  -0.000043521   0.000003478  -0.000023597
 H      1.977962      1.109607      1.312688    0.00   0.000019354  -0.000034666  -0.000022063
 H      2.157941     -1.341724      1.665381    0.00   0.000035781   0.000032741  -0.000026828
 H      1.250232     -2.811169      1.123900    0.00   0.000052382   0.000034009   0.000042635
 H      1.058351      0.566573     -1.588766    0.00  -0.000042201   0.000018757   0.000021389
 O     -1.053200      0.578377      1.172645    0.00   0.000011535   0.000053979  -0.000296292
 C      0.650364      2.599764      0.450525    0.00   0.000485797   0.000055472   0.000725692
 H      0.119888      2.857574      1.377857    0.00   0.000076172  -0.000012436   0.000067847
 H      1.441378      3.339982      0.297207    0.00   0.000048827  -0.000011002   0.000058090
 H     -0.083772      2.713432     -0.361770    0.00   0.000037955   0.000035444   0.000096914
 H     -2.454916     -0.378161      0.689933    0.00  -0.000002309   0.000003619  -0.000025481
 O      0.234435     -1.135055      0.894574    0.00   0.000300673   0.000101539   0.000847872
 O     -2.211144      0.344140     -1.613473    0.00  -0.000041395  -0.000554102  -0.000579125
 C     -3.207779     -0.174981     -1.160452    0.00  -0.000082176  -0.000117364  -0.000295973
 H     -4.148716     -0.401516     -1.665139    0.00  -0.000011949   0.000000433  -0.000015560
 O     -3.291971     -0.582975      0.125761    0.00  -0.000115708   0.000126094  -0.000302847
26
 Energy =      -0.315888208291
 C      2.179128     -1.684154     -0.513265    0.00  -0.000347075   0.000040489  -0.000057804
 C      2.856009     -0.335288     -0.765585    0.00  -0.000384182  -0.000028367  -0.000555420
 C      1.845577      0.811796     -0.851642    0.00  -0.000323389   0.000064184  -0.000089424
 C      1.212264      1.173302      0.503288    0.00   0.000164945  -0.000046440   0.000162607
 C      0.073067      0.234301      0.862583    0.00   0.000061648   0.000037593   0.000180285
 C      1.542701     -1.767828      0.866257    0.00   0.000284643   0.000210694   0.000215318
 H      2.352366      1.709510     -1.262368    0.00  -0.000035565   0.000004563  -0.000011381
 H      3.610432     -0.128520      0.018348    0.00  -0.000018103  -0.000008340  -0.000105484
 H      3.426719     -0.386188     -1.715903    0.00  -0.000094842  -0.000011735  -0.000044939
 H      1.401817     -1.869080     -1.286608    0.00  -0.000043252   0.000004325   0.000044551
 H      2.916033     -2.504022     -0.630054    0.00  -0.000044051   0.000003573  -0.000023521
 H      1.984946      1.101726      1.311358    0.00   0.000018434  -0.000032598  -0.000021786
 H      2.168216     -1.333545      1.663349    0.00   0.000033804   0.000030244  -0.000026995
 H      1.259771     -2.806925      1.134183    0.00   0.000049594   0.000032392   0.000039310
 H      1.047553      0.570431     -1.586342    0.00  -0.000040452   0.000019127   0.000021487
 O     -1.053397      0.579287      1.168973    0.00   0.000021828   0.000055657  -0.000263812
 C      0.659042      2.600990      0.463438    0.00   0.000469527   0.000052073   0.000699270
 H      0.134635      2.856574      1.394778    0.00   0.000074984  -0.000012289   0.000064708
 H      1.452389      3.338617      0.309473    0.00   0.000046659  -0.000010641   0.000054692
 H     -0.078824      2.721705     -0.344425    0.00   0.000036739   0.000033304   0.000094808
 H     -2.455389     -0.377266      0.684535    0.00  -0.000002177   0.000004685  -0.000024678
 O      0.238333     -1.133841      0.905870    0.00   0.000291193   0.000105193   0.000819327
 O     -2.211381      0.336770     -1.621379    0.00  -0.000032336  -0.000553892  -0.000568428
 C     -3.209424     -0.177273     -1.165705    0.00  -0.000071100  -0.000123744  -0.000291531
 H     -4.151800     -0.401841     -1.668578    0.00  -0.000010699  -0.000001285  -0.000015693
 O     -3.293510     -0.581271      0.121800    0.00  -0.000106775   0.000131232  -0.000295468
26
 Energy =      -0.316016037003
 C      2.172779     -1.683471     -0.514589    0.00  -0.000347561   0.000040969  -0.000061030
 C      2.848761     -0.335788     -0.775741    0.00  -0.000381791  -0.000027129  -0.000533773
 C      1.839607      0.813072     -0.853422    0.00  -0.000313402   0.000066558  -0.000081528
 C      1.215246      1.172242      0.506401    0.00   0.000160432  -0.000040730   0.000158133
 C      0.074616      0.235029      0.865802    0.00   0.000063797   0.000039810   0.000181486
 C      1.547673     -1.764030      0.870372    0.00   0.000266835   0.000199465   0.000196487
 H      2.345233      1.710850     -1.265353    0.00  -0.000034022   0.000004660  -0.000010323
 H      3.611292     -0.128990      0.000318    0.00  -0.000019538  -0.000008856  -0.000102058
 H      3.409840     -0.388976     -1.731672    0.00  -0.000092763  -0.000010919  -0.000041879
 H      1.388774     -1.869342     -1.280963    0.00  -0.000042036   0.000005299   0.000043183
 H      2.908000     -2.504176     -0.635991    0.00  -0.000044503   0.000003683  -0.000023394
 H      1.991916      1.094040      1.309985    0.00   0.000017483  -0.000030563  -0.000021489
 H      2.178344     -1.325691      1.661123    0.00   0.000031798   0.000027788  -0.000027126
 H      1.269062     -2.802751      1.144038    0.00   0.000046785   0.000030749   0.000036052
 H      1.036777      0.574488     -1.583828    0.00  -0.000038678   0.000019417   0.000021553
 O     -1.053438      0.580242      1.165628    0.00   0.000031159   0.000057575  -0.000231570
 C      0.667696      2.602187      0.476262    0.00   0.000452820   0.000048984   0.000672351
 H      0.149538      2.855592      1.411635    0.00   0.000073657  -0.000012121   0.000061480
 H      1.463285      3.337248      0.321379    0.00   0.000044445  -0.000010260   0.000051368
 H     -0.074003      2.729790     -0.326996    0.00   0.000035558   0.000031212   0.000092577
 H     -2.455851     -0.376107      0.679151    0.00  -0.000002071   0.000005739  -0.000023843
 O      0.242210     -1.132532      0.917123    0.00   0.000281185   0.000108127   0.000789692
 O     -2.211490      0.329176     -1.629381    0.00  -0.000022565  -0.000552740  -0.000556160
 C     -3.210920     -0.179754     -1.171046    0.00  -0.000059688  -0.000129873  -0.000286498
 H     -4.154661     -0.402541     -1.672146    0.00  -0.000009415  -0.000002989  -0.000015806
 O     -3.294975     -0.579447      0.117828    0.00  -0.000097918   0.000136144  -0.000287885
26
 Energy =      -0.316139730145
 C      2.166215     -1.682751     -0.516020    0.00  -0.000347371   0.000041290  -0.000064133
 C      2.841331     -0.336288     -0.785818    0.00  -0.000378579  -0.000025730  -0.000512007
 C      1.833629      0.814437     -0.855110    0.00  -0.000303313   0.000068557  -0.000073962
 C      1.218237      1.171262      0.509529    0.00   0.000155601  -0.000035230   0.000153417
 C      0.076228      0.235822      0.869157    0.00   0.000065500   0.000041875   0.000182138
 C      1.552474     -1.760325      0.874271    0.00   0.000248928   0.000188181   0.000177926
 H      2.338189      1.712250     -1.268185    0.00  -0.000032503   0.000004725  -0.000009321
 H      3.611851     -0.129612     -0.017640    0.00  -0.000020875  -0.000009310  -0.000098554
 H      3.392782     -0.391712     -1.747226    0.00  -0.000090548  -0.000010076  -0.000038874
 H      1.375561     -1.869383     -1.275394    0.00  -0.000040761   0.000006214   0.000041773
 H      2.899644     -2.504345     -0.642127    0.00  -0.000044875   0.000003810  -0.000023219
 H      1.998866      1.086551      1.308571    0.00   0.000016504  -0.000028568  -0.000021173
 H      2.188314     -1.318170      1.658702    0.00   0.000029765   0.000025384  -0.000027219
 H      1.278087     -2.798656      1.153454    0.00   0.000043962   0.000029089   0.000032874
 H      1.026021      0.578741     -1.581223    0.00  -0.000036886   0.000019625   0.000021585
 O     -1.053328      0.581248      1.162624    0.00   0.000039471   0.000059725  -0.000199797
 C      0.676321      2.603359      0.488990    0.00   0.000435767   0.000046194   0.000645071
 H      0.164586      2.854631      1.428415    0.00   0.000072199  -0.000011936   0.000058182
 H      1.474059      3.335882      0.332923    0.00   0.000042198  -0.000009861   0.000048133
 H     -0.069308      2.737690     -0.309496    0.00   0.000034414   0.000029180   0.000090232
 H     -2.456303     -0.374670      0.673792    0.00  -0.000001991   0.000006770  -0.000022978
 O      0.246061     -1.131129      0.928321    0.00   0.000270668   0.000110363   0.000759076
 O     -2.211450      0.321353     -1.637469    0.00  -0.000012042  -0.000550672  -0.000542319
 C     -3.212250     -0.182432     -1.176473    0.00  -0.000047964  -0.000135715  -0.000280830
 H     -4.157275     -0.403634     -1.675850    0.00  -0.000008099  -0.000004667  -0.000015893
 O     -3.296363     -0.577496      0.113848    0.00  -0.000089169   0.000140784  -0.000280130
26
 Energy =      -0.316259241629
 C      2.159433     -1.681994     -0.517563    0.00  -0.000346524   0.000041457  -0.000067108
 C      2.833717     -0.336785     -0.795811    0.00  -0.000374583  -0.000024181  -0.000490221
 C      1.827643      0.815891     -0.856707    0.00  -0.000293187   0.000070188  -0.000066754
 C      1.221233      1.170364      0.512671    0.00   0.000150465  -0.000029961   0.000148477
 C      0.077898      0.236682      0.872647    0.00   0.000066748   0.000043807   0.000182195
 C      1.557093     -1.756721      0.877947    0.00   0.000230975   0.000176915   0.000159716
 H      2.331232      1.713707     -1.270870    0.00  -0.000031013   0.000004760  -0.000008377
 H      3.612105     -0.130387     -0.035513    0.00  -0.000022107  -0.000009697  -0.000094987
 H      3.375553     -0.394386     -1.762562    0.00  -0.000088205  -0.000009212  -0.000035934
 H      1.362178     -1.869200     -1.269910    0.00  -0.000039431   0.000007067   0.000040320
 H      2.890960     -2.504528     -0.648464    0.00  -0.000045162   0.000003951  -0.000022981
 H      2.005791      1.079261      1.307115    0.00   0.000015500  -0.000026628  -0.000020841
 H      2.198115     -1.310990      1.656081    0.00   0.000027722   0.000023039  -0.000027269
 H      1.286830     -2.794650      1.162423    0.00   0.000041135   0.000027422   0.000029787
 H      1.015287      0.583185     -1.578527    0.00  -0.000035085   0.000019751   0.000021580
 O     -1.053071      0.582311      1.159977    0.00   0.000046718   0.000062083  -0.000168712
 C      0.684912      2.604510      0.501614    0.00   0.000418459   0.000043685   0.000617565
 H      0.179768      2.853694      1.445102    0.00   0.000070611  -0.000011732   0.000054832
 H      1.484704      3.334527      0.344105    0.00   0.000039931  -0.000009452   0.000045002
 H     -0.064739      2.745409     -0.291939    0.00   0.000033313   0.000027214   0.000087784
 H     -2.456751     -0.372942      0.668468    0.00  -0.000001937   0.000007766  -0.000022093
 O      0.249875     -1.129635      0.939451    0.00   0.000259644   0.000111903   0.000727595
 O     -2.211242      0.313296     -1.645626    0.00  -0.000000740  -0.000547722  -0.000526893
 C     -3.213397     -0.185314     -1.181983    0.00  -0.000035936  -0.000141220  -0.000274532
 H     -4.159618     -0.405139     -1.679700    0.00  -0.000006750  -0.000006305  -0.000015944
 O     -3.297673     -0.575413      0.109859    0.00  -0.000080558   0.000145102  -0.000272207
26
 Energy =      -0.316374542787
 C      2.152428     -1.681201     -0.519224    0.00  -0.000345021   0.000041486  -0.000069935
 C      2.825922     -0.337277     -0.805718    0.00  -0.000369853  -0.000022491  -0.000468511
 C      1.821647      0.817432     -0.858215    0.00  -0.000283075   0.000071448  -0.000059935
 C      1.224228      1.169548      0.515824    0.00   0.000145039  -0.000024950   0.000143329
 C      0.079619      0.237612      0.876270    0.00   0.000067521   0.000045599   0.000181641
 C      1.561519     -1.753222      0.881391    0.00   0.000213027   0.000165734   0.000141925
 H      2.324360      1.715222     -1.273412    0.00  -0.000029561   0.000004766  -0.000007491
 H      3.612051     -0.131313     -0.053291    0.00  -0.000023232  -0.000010018  -0.000091375
 H      3.358164     -0.396990     -1.777675    0.00  -0.000085749  -0.000008333  -0.000033076
 H      1.348625     -1.868790     -1.264524    0.00  -0.000038057   0.000007852   0.000038835
 H      2.881941     -2.504726     -0.655007    0.00  -0.000045360   0.000004107  -0.000022690
 H      2.012686      1.072171      1.305618    0.00   0.000014473  -0.000024745  -0.000020494
 H      2.207734     -1.304158      1.653260    0.00   0.000025668   0.000020761  -0.000027274
 H      1.295272     -2.790742      1.170932    0.00   0.000038314   0.000025757   0.000026800
 H      1.004574      0.587816     -1.575743    0.00  -0.000033285   0.000019796   0.000021537
 O     -1.052671      0.583439      1.157698    0.00   0.000052864   0.000064635  -0.000138530
 C      0.693463      2.605645      0.514125    0.00   0.000400977   0.000041448   0.000589957
 H      0.195070      2.852783      1.461683    0.00   0.000068901  -0.000011514   0.000051452
 H      1.495215      3.333190      0.354927    0.00   0.000037660  -0.000009039   0.000041989
 H     -0.060290      2.752951     -0.274341    0.00   0.000032258   0.000025321   0.000085243
 H     -2.457198     -0.370912      0.663191    0.00  -0.000001908   0.000008720  -0.000021194
 O      0.253644     -1.128053      0.950498    0.00   0.000248132   0.000112767   0.000695376
 O     -2.210840      0.304997     -1.653836    0.00   0.000011372  -0.000543924  -0.000509898
 C     -3.214342     -0.188409     -1.187572    0.00  -0.000023637  -0.000146351  -0.000267572
 H     -4.161664     -0.407075     -1.683702    0.00  -0.000005371  -0.000007888  -0.000015954
 O     -3.298899     -0.573196      0.105866    0.00  -0.000072099   0.000149056  -0.000264156
26
 Energy =      -0.316485622641
 C      2.145198     -1.680370     -0.521008    0.00  -0.000342884   0.000041382  -0.000072596
 C      2.817947     -0.337760     -0.815536    0.00  -0.000364435  -0.000020676  -0.000446967
 C      1.815638      0.819060     -0.859636    0.00  -0.000273036   0.000072345  -0.000053533
 C      1.227215      1.168815      0.518985    0.00   0.000139333  -0.000020217   0.000137990
 C      0.081385      0.238611      0.880024    0.00   0.000067796   0.000047239   0.000180471
 C      1.565737     -1.749832      0.884595    0.00   0.000195137   0.000154698   0.000124607
 H      2.317569      1.716793     -1.275815    0.00  -0.000028152   0.000004745  -0.000006667
 H      3.611685     -0.132386     -0.070961    0.00  -0.000024246  -0.000010269  -0.000087729
 H      3.340624     -0.399514     -1.792560    0.00  -0.000083191  -0.000007447  -0.000030314
 H      1.334903     -1.868150     -1.259248    0.00  -0.000036645   0.000008567   0.000037317
 H      2.872584     -2.504936     -0.661756    0.00  -0.000045468   0.000004280  -0.000022345
 H      2.019542      1.065280      1.304082    0.00   0.000013426  -0.000022930  -0.000020135
 H      2.217157     -1.297681      1.650235    0.00   0.000023613   0.000018565  -0.000027234
 H      1.303393     -2.786939      1.178973    0.00   0.000035507   0.000024103   0.000023926
 H      0.993880      0.592629     -1.572871    0.00  -0.000031493   0.000019761   0.000021455
 O     -1.052135      0.584640      1.155800    0.00   0.000057899   0.000067352  -0.000109460
 C      0.701969      2.606768      0.526516    0.00   0.000383406   0.000039456   0.000562379
 H      0.210477      2.851901      1.478141    0.00   0.000067074  -0.000011281   0.000048063
 H      1.505583      3.331877      0.365393    0.00   0.000035398  -0.000008625   0.000039103
 H     -0.055959      2.760322     -0.256717    0.00   0.000031249   0.000023506   0.000082617
 H     -2.457648     -0.368569      0.657975    0.00  -0.000001905   0.000009616  -0.000020286
 O      0.257357     -1.126386      0.961445    0.00   0.000236157   0.000112997   0.000662558
 O     -2.210217      0.296452     -1.662079    0.00   0.000024297  -0.000539326  -0.000491358
 C     -3.215063     -0.191723     -1.193235    0.00  -0.000011069  -0.000151049  -0.000259946
 H     -4.163384     -0.409457     -1.687866    0.00  -0.000003961  -0.000009399  -0.000015912
 O     -3.300039     -0.570838      0.101870    0.00  -0.000063808   0.000152608  -0.000256003
26
 Energy =      -0.316592488189
 C      2.137737     -1.679502     -0.522921    0.00  -0.000340133   0.000041157  -0.000075082
 C      2.809792     -0.338231     -0.825263    0.00  -0.000358394  -0.000018748  -0.000425685
 C      1.809614      0.820773     -0.860971    0.00  -0.000263122   0.000072888  -0.000047563
 C      1.230190      1.168164      0.522150    0.00   0.000133369  -0.000015773   0.000132476
 C      0.083187      0.239684      0.883904    0.00   0.000067568   0.000048734   0.000178675
 C      1.569735     -1.746558      0.887551    0.00   0.000177359   0.000143869   0.000107833
 H      2.310854      1.718418     -1.278085    0.00  -0.000026795   0.000004697  -0.000005906
 H      3.611002     -0.133604     -0.088512    0.00  -0.000025144  -0.000010450  -0.000084065
 H      3.322944     -0.401949     -1.807214    0.00  -0.000080545  -0.000006560  -0.000027660
 H      1.321014     -1.867278     -1.254095    0.00  -0.000035205   0.000009208   0.000035772
 H      2.862884     -2.505157     -0.668714    0.00  -0.000045485   0.000004466  -0.000021950
 H      2.026352      1.058587      1.302505    0.00   0.000012362  -0.000021187  -0.000019767
 H      2.226368     -1.291566      1.647005    0.00   0.000021564   0.000016454  -0.000027147
 H      1.311172     -2.783251      1.186533    0.00   0.000032722   0.000022469   0.000021171
 H      0.983207      0.597617     -1.569914    0.00  -0.000029720   0.000019650   0.000021331
 O     -1.051470      0.585920      1.154293    0.00   0.000061817   0.000070200  -0.000081685
 C      0.710424      2.607882      0.538780    0.00   0.000365821   0.000037692   0.000534947
 H      0.225972      2.851051      1.494462    0.00   0.000065137  -0.000011036   0.000044688
 H      1.515805      3.330594      0.375508    0.00   0.000033159  -0.000008215   0.000036352
 H     -0.051741      2.767529     -0.239085    0.00   0.000030286   0.000021777   0.000079917
 H     -2.458104     -0.365906      0.652833    0.00  -0.000001924   0.000010450  -0.000019377
 O      0.261000     -1.124638      0.972276    0.00   0.000223736   0.000112613   0.000629287
 O     -2.209341      0.287655     -1.670332    0.00   0.000038048  -0.000533974  -0.000471324
 C     -3.215538     -0.195263     -1.198964    0.00   0.000001732  -0.000155270  -0.000251642
 H     -4.164748     -0.412298     -1.692196    0.00  -0.000002522  -0.000010820  -0.000015813
 O     -3.301090     -0.568337      0.097875    0.00  -0.000055692   0.000155712  -0.000247782
26
 Energy =      -0.316695164864
 C      2.130042     -1.678596     -0.524969    0.00  -0.000336804   0.000040823  -0.000077395
 C      2.801458     -0.338687     -0.834895    0.00  -0.000351794  -0.000016727  -0.000404747
 C      1.803572      0.822570     -0.862225    0.00  -0.000253391   0.000073091  -0.000042053
 C      1.233143      1.167596      0.525314    0.00   0.000127162  -0.000011634   0.000126810
 C      0.085016      0.240832      0.887905    0.00   0.000066827   0.000050075   0.000176263
 C      1.573495     -1.743404      0.890248    0.00   0.000159744   0.000133303   0.000091658
 H      2.304211      1.720096     -1.280230    0.00  -0.000025491   0.000004625  -0.000005209
 H      3.610000     -0.134963     -0.105930    0.00  -0.000025926  -0.000010563  -0.000080401
 H      3.305137     -0.404285     -1.821632    0.00  -0.000077825  -0.000005676  -0.000025127
 H      1.306959     -1.866174     -1.249078    0.00  -0.000033749   0.000009773   0.000034204
 H      2.852837     -2.505387     -0.675881    0.00  -0.000045407   0.000004665  -0.000021506
 H      2.033105      1.052092      1.300888    0.00   0.000011287  -0.000019522  -0.000019391
 H      2.235347     -1.285821      1.643567    0.00   0.000019528   0.000014437  -0.000027009
 H      1.318586     -2.779686      1.193601    0.00   0.000029971   0.000020861   0.000018543
 H      0.972551      0.602774     -1.566875    0.00  -0.000027977   0.000019462   0.000021165
 O     -1.050685      0.587289      1.153186    0.00   0.000064630   0.000073145  -0.000055375
 C      0.718822      2.608992      0.550906    0.00   0.000348296   0.000036124   0.000507778
 H      0.241538      2.850233      1.510626    0.00   0.000063097  -0.000010777   0.000041349
 H      1.525874      3.329347      0.385277    0.00   0.000030956  -0.000007813   0.000033744
 H     -0.047632      2.774579     -0.221463    0.00   0.000029366   0.000020136   0.000077152
 H     -2.458570     -0.362917      0.647781    0.00  -0.000001964   0.000011207  -0.000018473
 O      0.264561     -1.122811      0.982971    0.00   0.000210907   0.000111661   0.000595722
 O     -2.208180      0.278598     -1.678567    0.00   0.000052611  -0.000527919  -0.000449859
 C     -3.215739     -0.199034     -1.204751    0.00   0.000014750  -0.000158961  -0.000242671
 H     -4.165722     -0.415608     -1.696700    0.00  -0.000001053  -0.000012138  -0.000015649
 O     -3.302045     -0.565691      0.093885    0.00  -0.000047751   0.000158338  -0.000239525
26
 Energy =      -0.316793697176
 C      2.122112     -1.677653     -0.527156    0.00  -0.000332937   0.000040390  -0.000079521
 C      2.792948     -0.339124     -0.844430    0.00  -0.000344703  -0.000014629  -0.000384244
 C      1.797507      0.824448     -0.863400    0.00  -0.000243898   0.000072974  -0.000037007
 C      1.236066      1.167110      0.528472    0.00   0.000120726  -0.000007816   0.000121014
 C      0.086860      0.242057      0.892021    0.00   0.000065583   0.000051266   0.000173246
 C      1.577002     -1.740374      0.892679    0.00   0.000142352   0.000123052   0.000076131
 H      2.297631      1.721825     -1.282255    0.00  -0.000024249   0.000004533  -0.000004575
 H      3.608675     -0.136458     -0.123202    0.00  -0.000026589  -0.000010606  -0.000076748
 H      3.287215     -0.406512     -1.835811    0.00  -0.000075046  -0.000004806  -0.000022728
 H      1.292743     -1.864837     -1.244213    0.00  -0.000032285   0.000010260   0.000032617
 H      2.842443     -2.505623     -0.683255    0.00  -0.000045236   0.000004875  -0.000021019
 H      2.039791      1.045792      1.299231    0.00   0.000010202  -0.000017941  -0.000019007
 H      2.244076     -1.280450      1.639921    0.00   0.000017516   0.000012520  -0.000026821
 H      1.325611     -2.776251      1.200168    0.00   0.000027258   0.000019291   0.000016050
 H      0.961911      0.608092     -1.563758    0.00  -0.000026271   0.000019204   0.000020954
 O     -1.049791      0.588755      1.152485    0.00   0.000066363   0.000076146  -0.000030667
 C      0.727156      2.610101      0.562886    0.00   0.000330895   0.000034739   0.000480979
 H      0.257151      2.849451      1.526618    0.00   0.000060963  -0.000010508   0.000038070
 H      1.535785      3.328140      0.394707    0.00   0.000028806  -0.000007420   0.000031281
 H     -0.043625      2.781478     -0.203874    0.00   0.000028485   0.000018586   0.000074332
 H     -2.459048     -0.359600      0.642839    0.00  -0.000002024   0.000011879  -0.000017583
 O      0.268023     -1.120910      0.993510    0.00   0.000197701   0.000110181   0.000562023
 O     -2.206693      0.269278     -1.686755    0.00   0.000067964  -0.000521222  -0.000427046
 C     -3.215640     -0.203040     -1.210584    0.00   0.000027958  -0.000162071  -0.000233045
 H     -4.166270     -0.419394     -1.701380    0.00   0.000000443  -0.000013334  -0.000015416
 O     -3.302901     -0.562896      0.089906    0.00  -0.000039976   0.000160458  -0.000231271
26
 Energy =      -0.316888149499
 C      2.113942     -1.676672     -0.529489    0.00  -0.000328573   0.000039867  -0.000081472
 C      2.784264     -0.339537     -0.853865    0.00  -0.000337204  -0.000012474  -0.000364257
 C      1.791417      0.826405     -0.864500    0.00  -0.000234690   0.000072552  -0.000032443
 C      1.238950      1.166706      0.531619    0.00   0.000114095  -0.000004305   0.000115112
 C      0.088708      0.243360      0.896244    0.00   0.000063834   0.000052291   0.000169648
 C      1.580238     -1.737473      0.894833    0.00   0.000125232   0.000113161   0.000061309
 H      2.291107      1.723603     -1.284169    0.00  -0.000023072   0.000004421  -0.000004005
 H      3.607022     -0.138083     -0.140315    0.00  -0.000027133  -0.000010584  -0.000073120
 H      3.269192     -0.408621     -1.849747    0.00  -0.000072223  -0.000003954  -0.000020472
 H      1.278370     -1.863268     -1.239515    0.00  -0.000030833   0.000010671   0.000031015
 H      2.831699     -2.505863     -0.690836    0.00  -0.000044973   0.000005093  -0.000020493
 H      2.046396      1.039684      1.297532    0.00   0.000009116  -0.000016446  -0.000018618
 H      2.252531     -1.275459      1.636064    0.00   0.000015536   0.000010709  -0.000026582
 H      1.332223     -2.772954      1.206221    0.00   0.000024598   0.000017762   0.000013697
 H      0.951287      0.613560     -1.560567    0.00  -0.000024616   0.000018879   0.000020699
 O     -1.048798      0.590325      1.152197    0.00   0.000067055   0.000079161  -0.000007675
 C      0.735416      2.611213      0.574710    0.00   0.000313688   0.000033497   0.000454653
 H      0.272789      2.848705      1.542418    0.00   0.000058743  -0.000010228   0.000034872
 H      1.545532      3.326977      0.403807    0.00   0.000026714  -0.000007040   0.000028966
 H     -0.039716      2.788236     -0.186339    0.00   0.000027634   0.000017130   0.000071468
 H     -2.459539     -0.355955      0.638024    0.00  -0.000002095   0.000012458  -0.000016711
 O      0.271369     -1.118939      1.003871    0.00   0.000184160   0.000108226   0.000528364
 O     -2.204839      0.259687     -1.694862    0.00   0.000084063  -0.000513945  -0.000402990
 C     -3.215208     -0.207283     -1.216451    0.00   0.000041337  -0.000164552  -0.000222795
 H     -4.166354     -0.423657     -1.706240    0.00   0.000001966  -0.000014395  -0.000015105
 O     -3.303651     -0.559953      0.085942    0.00  -0.000032357   0.000162045  -0.000223063
26
 Energy =      -0.316978607115
 C      2.105532     -1.675652     -0.531973    0.00  -0.000323774   0.000039275  -0.000083245
 C      2.775407     -0.339924     -0.863197    0.00  -0.000329378  -0.000010293  -0.000344857
 C      1.785296      0.828438     -0.865532    0.00  -0.000225827   0.000071849  -0.000028370
 C      1.241782      1.166382      0.534748    0.00   0.000107268  -0.000001138   0.000109132
 C      0.090545      0.244742      0.900564    0.00   0.000061603   0.000053172   0.000165513
 C      1.583184     -1.734704      0.896701    0.00   0.000108442   0.000103664   0.000047227
 H      2.284632      1.725428     -1.285980    0.00  -0.000021960   0.000004297  -0.000003496
 H      3.605039     -0.139831     -0.157252    0.00  -0.000027554  -0.000010497  -0.000069533
 H      3.251084     -0.410601     -1.863434    0.00  -0.000069371  -0.000003128  -0.000018374
 H      1.263845     -1.861466     -1.235001    0.00  -0.000029398   0.000011001   0.000029401
 H      2.820608     -2.506103     -0.698621    0.00  -0.000044618   0.000005315  -0.000019938
 H      2.052908      1.033766      1.295790    0.00   0.000008033  -0.000015038  -0.000018225
 H      2.260689     -1.270855      1.631997    0.00   0.000013599   0.000009011  -0.000026290
 H      1.338394     -2.769801      1.211750    0.00   0.000021995   0.000016284   0.000011489
 H      0.940677      0.619169     -1.557308    0.00  -0.000023023   0.000018491   0.000020398
 O     -1.047720      0.592009      1.152323    0.00   0.000066764   0.000082142   0.000013518
 C      0.743594      2.612331      0.586366    0.00   0.000296721   0.000032390   0.000428894
 H      0.288425      2.847997      1.558006    0.00   0.000056449  -0.000009940   0.000031781
 H      1.555108      3.325861      0.412584    0.00   0.000024701  -0.000006673   0.000026799
 H     -0.035900      2.794860     -0.168883    0.00   0.000026808   0.000015769   0.000068566
 H     -2.460043     -0.351988      0.633357    0.00  -0.000002182   0.000012936  -0.000015864
 O      0.274581     -1.116902      1.014031    0.00   0.000170350   0.000105849   0.000494910
 O     -2.202573      0.249824     -1.702850    0.00   0.000100855  -0.000506155  -0.000377807
 C     -3.214411     -0.211764     -1.222334    0.00   0.000054850  -0.000166370  -0.000211964
 H     -4.165936     -0.428391     -1.711279    0.00   0.000003512  -0.000015307  -0.000014721
 O     -3.304287     -0.556860      0.082000    0.00  -0.000024865   0.000163094  -0.000214942
26
 Energy =      -0.317065177385
 C      2.096881     -1.674594     -0.534613    0.00  -0.000318594   0.000038614  -0.000084857
 C      2.766381     -0.340279     -0.872423    0.00  -0.000321309  -0.000008101  -0.000326129
 C      1.779139      0.830543     -0.866499    0.00  -0.000217355   0.000070892  -0.000024780
 C      1.244552      1.166138      0.537851    0.00   0.000100298   0.000001719   0.000103099
 C      0.092357      0.246206      0.904969    0.00   0.000058906   0.000053890   0.000160879
 C      1.585819     -1.732072      0.898274    0.00   0.000092046   0.000094609   0.000033933
 H      2.278194      1.727297     -1.287698    0.00  -0.000020922   0.000004159  -0.000003050
 H      3.602721     -0.141696     -0.173998    0.00  -0.000027854  -0.000010350  -0.000065999
 H      3.232909     -0.412444     -1.876869    0.00  -0.000066506  -0.000002334  -0.000016440
 H      1.249176     -1.859436     -1.230686    0.00  -0.000028005   0.000011258   0.000027777
 H      2.809171     -2.506339     -0.706605    0.00  -0.000044174   0.000005534  -0.000019361
 H      2.059308      1.028034      1.294004    0.00   0.000006962  -0.000013722  -0.000017825
 H      2.268524     -1.266640      1.627721    0.00   0.000011715   0.000007425  -0.000025947
 H      1.344098     -2.766800      1.216744    0.00   0.000019460   0.000014862   0.000009429
 H      0.930078      0.624905     -1.553989    0.00  -0.000021499   0.000018045   0.000020047
 O     -1.046572      0.593813      1.152864    0.00   0.000065554   0.000085046   0.000032861
 C      0.751679      2.613457      0.597843    0.00   0.000280062   0.000031377   0.000403794
 H      0.304026      2.847327      1.573360    0.00   0.000054092  -0.000009639   0.000028817
 H      1.564506      3.324795      0.421047    0.00   0.000022769  -0.000006320   0.000024776
 H     -0.032173      2.801357     -0.151536    0.00   0.000025995   0.000014505   0.000065638
 H     -2.460559     -0.347707      0.628860    0.00  -0.000002273   0.000013309  -0.000015046
 O      0.277638     -1.114804      1.023964    0.00   0.000156303   0.000103100   0.000461855
 O     -2.199844      0.239685     -1.710677    0.00   0.000118267  -0.000497921  -0.000351642
 C     -3.213213     -0.216479     -1.228217    0.00   0.000068478  -0.000167483  -0.000200611
 H     -4.164973     -0.433585     -1.716498    0.00   0.000005079  -0.000016060  -0.000014264
 O     -3.304803     -0.553622      0.078088    0.00  -0.000017491   0.000163588  -0.000206954
26
 Energy =      -0.317147990953
 C      2.087989     -1.673498     -0.537413    0.00  -0.000313108   0.000037895  -0.000086313
 C      2.757189     -0.340600     -0.881539    0.00  -0.000313092  -0.000005925  -0.000308139
 C      1.772941      0.832717     -0.867409    0.00  -0.000209323   0.000069703  -0.000021672
 C      1.247244      1.165971      0.540919    0.00   0.000093203   0.000004260   0.000097040
 C      0.094126      0.247751      0.909447    0.00   0.000055767   0.000054443   0.000155808
 C      1.588124     -1.729580      0.899544    0.00   0.000076098   0.000086008   0.000021449
 H      2.271785      1.729208     -1.289332    0.00  -0.000019957   0.000004009  -0.000002666
 H      3.600066     -0.143668     -0.190535    0.00  -0.000028030  -0.000010145  -0.000062529
 H      3.214685     -0.414141     -1.890045    0.00  -0.000063648  -0.000001580  -0.000014688
 H      1.234373     -1.857180     -1.226591    0.00  -0.000026661   0.000011437   0.000026149
 H      2.797395     -2.506568     -0.714784    0.00  -0.000043645   0.000005751  -0.000018770
 H      2.065580      1.022485      1.292172    0.00   0.000005911  -0.000012499  -0.000017419
 H      2.276009     -1.262819      1.623237    0.00   0.000009899   0.000005956  -0.000025553
 H      1.349306     -2.763955      1.221193    0.00   0.000016998   0.000013503   0.000007520
 H      0.919489      0.630755     -1.550618    0.00  -0.000020062   0.000017550   0.000019650
 O     -1.045369      0.595744      1.153818    0.00   0.000063514   0.000087833   0.000050338
 C      0.759657      2.614594      0.609127    0.00   0.000263753   0.000030450   0.000379433
 H      0.319561      2.846696      1.588455    0.00   0.000051684  -0.000009328   0.000026002
 H      1.573717      3.323779      0.429202    0.00   0.000020931  -0.000005981   0.000022894
 H     -0.028531      2.807734     -0.134327    0.00   0.000025184   0.000013337   0.000062694
 H     -2.461084     -0.343128      0.624558    0.00  -0.000002362   0.000013571  -0.000014258
 O      0.280518     -1.112651      1.033643    0.00   0.000142100   0.000100047   0.000429379
 O     -2.196602      0.229269     -1.718296    0.00   0.000136204  -0.000489313  -0.000324654
 C     -3.211578     -0.221423     -1.234078    0.00   0.000082199  -0.000167871  -0.000188821
 H     -4.163422     -0.439220     -1.721892    0.00   0.000006662  -0.000016643  -0.000013735
 O     -3.305187     -0.550239      0.074214    0.00  -0.000010218   0.000163532  -0.000199138
26
 Energy =      -0.317227202947
 C      2.078859     -1.672364     -0.540377    0.00  -0.000307384   0.000037135  -0.000087634
 C      2.747839     -0.340882     -0.890540    0.00  -0.000304823  -0.000003796  -0.000290960
 C      1.766698      0.834954     -0.868268    0.00  -0.000201782   0.000068315  -0.000019045
 C      1.249843      1.165879      0.543943    0.00   0.000086020   0.000006486   0.000090989
 C      0.095836      0.249378      0.913982    0.00   0.000052225   0.000054841   0.000150372
 C      1.590077     -1.727231      0.900501    0.00   0.000060654   0.000077893   0.000009808
 H      2.265392      1.731156     -1.290894    0.00  -0.000019072   0.000003855  -0.000002343
 H      3.597072     -0.145737     -0.206844    0.00  -0.000028084  -0.000009890  -0.000059136
 H      3.196436     -0.415683     -1.902956    0.00  -0.000060808  -0.000000872  -0.000013119
 H      1.219447     -1.854704     -1.222732    0.00  -0.000025390   0.000011544   0.000024519
 H      2.785289     -2.506786     -0.723148    0.00  -0.000043036   0.000005953  -0.000018176
 H      2.071703      1.017118      1.290291    0.00   0.000004889  -0.000011367  -0.000017006
 H      2.283114     -1.259395      1.618548    0.00   0.000008155   0.000004610  -0.000025108
 H      1.353991     -2.761274      1.225089    0.00   0.000014627   0.000012211   0.000005763
 H      0.908911      0.636701     -1.547205    0.00  -0.000018721   0.000017007   0.000019204
 O     -1.044129      0.597809      1.155181    0.00   0.000060731   0.000090449   0.000065956
 C      0.767512      2.615744      0.620200    0.00   0.000247849   0.000029585   0.000355888
 H      0.334989      2.846104      1.603267    0.00   0.000049239  -0.000009005   0.000023359
 H      1.582731      3.322816      0.437057    0.00   0.000019194  -0.000005657   0.000021146
 H     -0.024973      2.813997     -0.117292    0.00   0.000024366   0.000012267   0.000059745
 H     -2.461614     -0.338270      0.620474    0.00  -0.000002450   0.000013723  -0.000013501
 O      0.283198     -1.110448      1.043042    0.00   0.000127813   0.000096752   0.000397670
 O     -2.192791      0.218581     -1.725659    0.00   0.000154565  -0.000480405  -0.000297010
 C     -3.209466     -0.226586     -1.239893    0.00   0.000095971  -0.000167522  -0.000176683
 H     -4.161240     -0.445268     -1.727455    0.00   0.000008259  -0.000017055  -0.000013146
 O     -3.305430     -0.546719      0.070386    0.00  -0.000003005   0.000162943  -0.000191553
26
 Energy =      -0.317302993828
 C      2.069495     -1.671193     -0.543508    0.00  -0.000301506   0.000036338  -0.000088831
 C      2.738336     -0.341121     -0.899421    0.00  -0.000296601  -0.000001747  -0.000274652
 C      1.760403      0.837247     -0.869085    0.00  -0.000194780   0.000066755  -0.000016897
 C      1.252333      1.165861      0.546910    0.00   0.000078763   0.000008393   0.000084989
 C      0.097467      0.251084      0.918558    0.00   0.000048320   0.000055086   0.000144646
 C      1.591658     -1.725028      0.901140    0.00   0.000045783   0.000070281  -0.000000971
 H      2.259003      1.733138     -1.292395    0.00  -0.000018263   0.000003699  -0.000002074
 H      3.593738     -0.147894     -0.222903    0.00  -0.000028015  -0.000009585  -0.000055835
 H      3.178187     -0.417063     -1.915595    0.00  -0.000058008  -0.000000214  -0.000011745
 H      1.204414     -1.852016     -1.219127    0.00  -0.000024204   0.000011582   0.000022890
 H      2.772865     -2.506987     -0.731687    0.00  -0.000042350   0.000006136  -0.000017589
 H      2.077655      1.011928      1.288358    0.00   0.000003908  -0.000010327  -0.000016589
 H      2.289810     -1.256367      1.613660    0.00   0.000006501   0.000003382  -0.000024615
 H      1.358123     -2.758760      1.228424    0.00   0.000012346   0.000010991   0.000004158
 H      0.898341      0.642724     -1.543760    0.00  -0.000017490   0.000016426   0.000018710
 O     -1.042871      0.600011      1.156944    0.00   0.000057328   0.000092859   0.000079765
 C      0.775228      2.616906      0.631044    0.00   0.000232392   0.000028775   0.000333231
 H      0.350267      2.845551      1.617766    0.00   0.000046775  -0.000008670   0.000020909
 H      1.591534      3.321905      0.444616    0.00   0.000017568  -0.000005343   0.000019527
 H     -0.021501      2.820151     -0.100470    0.00   0.000023525   0.000011291   0.000056799
 H     -2.462143     -0.333160      0.616636    0.00  -0.000002531   0.000013763  -0.000012778
 O      0.285655     -1.108202      1.052132    0.00   0.000113523   0.000093288   0.000366914
 O     -2.188358      0.207627     -1.732712    0.00   0.000173238  -0.000471259  -0.000268902
 C     -3.206840     -0.231954     -1.245637    0.00   0.000109765  -0.000166442  -0.000164325
 H     -4.158384     -0.451693     -1.733179    0.00   0.000009863  -0.000017292  -0.000012507
 O     -3.305520     -0.543068      0.066615    0.00   0.000004151   0.000161831  -0.000184228
26
 Energy =      -0.317375569682
 C      2.059907     -1.669988     -0.546807    0.00  -0.000295555   0.000035517  -0.000089931
 C      2.728692     -0.341315     -0.908175    0.00  -0.000288528   0.000000213  -0.000259284
 C      1.754052      0.839590     -0.869869    0.00  -0.000188362   0.000065046  -0.000015200
 C      1.254696      1.165912      0.549809    0.00   0.000071521   0.000010040   0.000079048
 C      0.099000      0.252867      0.923157    0.00   0.000044076   0.000055157   0.000138724
 C      1.592848     -1.722974      0.901454    0.00   0.000031543   0.000063181  -0.000010881
 H      2.252608      1.735147     -1.293849    0.00  -0.000017539   0.000003541  -0.000001867
 H      3.590066     -0.150125     -0.238691    0.00  -0.000027829  -0.000009242  -0.000052633
 H      3.159966     -0.418274     -1.927954    0.00  -0.000055265   0.000000385  -0.000010572
 H      1.189294     -1.849125     -1.215795    0.00  -0.000023123   0.000011553   0.000021270
 H      2.760141     -2.507169     -0.740388    0.00  -0.000041593   0.000006293  -0.000017019
 H      2.083414      1.006916      1.286372    0.00   0.000002977  -0.000009381  -0.000016156
 H      2.296067     -1.253736      1.608578    0.00   0.000004948   0.000002272  -0.000024077
 H      1.361680     -2.756418      1.231195    0.00   0.000010170   0.000009851   0.000002704
 H      0.887781      0.648802     -1.540298    0.00  -0.000016380   0.000015812   0.000018166
 O     -1.041614      0.602352      1.159096    0.00   0.000053405   0.000095026   0.000091839
 C      0.782782      2.618082      0.641639    0.00   0.000217437   0.000027989   0.000311528
 H      0.365350      2.845036      1.631923    0.00   0.000044305  -0.000008316   0.000018659
 H      1.600112      3.321045      0.451881    0.00   0.000016048  -0.000005042   0.000018026
 H     -0.018117      2.826197     -0.083903    0.00   0.000022655   0.000010414   0.000053875
 H     -2.462662     -0.327829      0.613069    0.00  -0.000002597   0.000013700  -0.000012082
 O      0.287863     -1.105922      1.060883    0.00   0.000099304   0.000089710   0.000337314
 O     -2.183249      0.196420     -1.739398    0.00   0.000192086  -0.000461944  -0.000240523
 C     -3.203660     -0.237508     -1.251281    0.00   0.000123550  -0.000164647  -0.000151876
 H     -4.154813     -0.458450     -1.739052    0.00   0.000011471  -0.000017360  -0.000011835
 O     -3.305444     -0.539297      0.062910    0.00   0.000011275   0.000160233  -0.000177217
26
 Energy =      -0.317445161698
 C      2.050105     -1.668751     -0.550272    0.00  -0.000289621   0.000034679  -0.000090937
 C      2.718916     -0.341461     -0.916796    0.00  -0.000280704   0.000002033  -0.000244903
 C      1.747640      0.841973     -0.870628    0.00  -0.000182569   0.000063233  -0.000013957
 C      1.256914      1.166029      0.552627    0.00   0.000064274   0.000011381   0.000073227
 C      0.100416      0.254725      0.927758    0.00   0.000039570   0.000055090   0.000132691
 C      1.593630     -1.721070      0.901441    0.00   0.000017986   0.000056595  -0.000019905
 H      2.246192      1.737178     -1.295270    0.00  -0.000016895   0.000003389  -0.000001713
 H      3.586057     -0.152416     -0.254182    0.00  -0.000027527  -0.000008865  -0.000049549
 H      3.141806     -0.419312     -1.940023    0.00  -0.000052600   0.000000918  -0.000009601
 H      1.174107     -1.846044     -1.212752    0.00  -0.000022158   0.000011465   0.000019661
 H      2.747140     -2.507327     -0.749234    0.00  -0.000040775   0.000006419  -0.000016479
 H      2.088956      1.002080      1.284328    0.00   0.000002107  -0.000008526  -0.000015717
 H      2.301858     -1.251499      1.603315    0.00   0.000003501   0.000001283  -0.000023497
 H      1.364637     -2.754250      1.233401    0.00   0.000008107   0.000008789   0.000001395
 H      0.877233      0.654909     -1.536832    0.00  -0.000015409   0.000015171   0.000017576
 O     -1.040379      0.604833      1.161624    0.00   0.000049100   0.000096910   0.000102285
 C      0.790153      2.619270      0.651961    0.00   0.000203021   0.000027249   0.000290831
 H      0.380187      2.844560      1.645703    0.00   0.000041848  -0.000007949   0.000016635
 H      1.608446      3.320237      0.458852    0.00   0.000014650  -0.000004752   0.000016637
 H     -0.014828      2.832136     -0.067636    0.00   0.000021742   0.000009625   0.000050979
 H     -2.463163     -0.322315      0.609799    0.00  -0.000002656   0.000013535  -0.000011412
 O      0.289801     -1.103614      1.069268    0.00   0.000085278   0.000086104   0.000309029
 O     -2.177414      0.184979     -1.745661    0.00   0.000210985  -0.000452511  -0.000212091
 C     -3.199893     -0.243224     -1.256796    0.00   0.000137286  -0.000162180  -0.000139482
 H     -4.150489     -0.465484     -1.745062    0.00   0.000013081  -0.000017265  -0.000011147
 O     -3.305190     -0.535419      0.059282    0.00   0.000018377   0.000158183  -0.000170556
26
 Energy =      -0.317512024349
 C      2.040105     -1.667485     -0.553900    0.00  -0.000283790   0.000033829  -0.000091871
 C      2.709025     -0.341558     -0.925275    0.00  -0.000273230   0.000003696  -0.000231559
 C      1.741166      0.844385     -0.871374    0.00  -0.000177449   0.000061330  -0.000013131
 C      1.258968      1.166207      0.555349    0.00   0.000057107   0.000012471   0.000067532
 C      0.101694      0.256650      0.932341    0.00   0.000034844   0.000054871   0.000126644
 C      1.593991     -1.719318      0.901101    0.00   0.000005185   0.000050529  -0.000028068
 H      2.239743      1.739222     -1.296673    0.00  -0.000016339   0.000003240  -0.000001617
 H      3.581720     -0.154754     -0.269352    0.00  -0.000027119  -0.000008463  -0.000046592
 H      3.123741     -0.420175     -1.951793    0.00  -0.000050032   0.000001389  -0.000008834
 H      1.158882     -1.842788     -1.210010    0.00  -0.000021319   0.000011322   0.000018074
 H      2.733890     -2.507457     -0.758204    0.00  -0.000039906   0.000006502  -0.000015977
 H      2.094255      0.997420      1.282225    0.00   0.000001311  -0.000007756  -0.000015267
 H      2.307157     -1.249647      1.597881    0.00   0.000002177   0.000000409  -0.000022886
 H      1.366980     -2.752258      1.235045    0.00   0.000006163   0.000007815   0.000000229
 H      0.866700      0.661016     -1.533378    0.00  -0.000014580   0.000014510   0.000016943
 O     -1.039186      0.607449      1.164507    0.00   0.000044522   0.000098487   0.000111237
 C      0.797316      2.620467      0.661984    0.00   0.000189183   0.000026529   0.000271196
 H      0.394724      2.844121      1.659074    0.00   0.000039427  -0.000007565   0.000014835
 H      1.616518      3.319477      0.465526    0.00   0.000013365  -0.000004472   0.000015351
 H     -0.011643      2.837964     -0.051717    0.00   0.000020783   0.000008931   0.000048132
 H     -2.463635     -0.316661      0.606851    0.00  -0.000002696   0.000013281  -0.000010767
 O      0.291448     -1.101290      1.077261    0.00   0.000071511   0.000082518   0.000282254
 O     -2.170811      0.173332     -1.751442    0.00   0.000229812  -0.000443008  -0.000183822
 C     -3.195506     -0.249076     -1.262151    0.00   0.000150932  -0.000159095  -0.000127312
 H     -4.145380     -0.472734     -1.751194    0.00   0.000014688  -0.000017021  -0.000010461
 O     -3.304745     -0.531451      0.055740    0.00   0.000025451   0.000155722  -0.000164263
26
 Energy =      -0.317576432202
 C      2.029928     -1.666194     -0.557685    0.00  -0.000278153   0.000032980  -0.000092753
 C      2.699035     -0.341604     -0.933605    0.00  -0.000266206   0.000005183  -0.000219295
 C      1.734625      0.846814     -0.872117    0.00  -0.000173034   0.000059366  -0.000012721
 C      1.260839      1.166442      0.557961    0.00   0.000050031   0.000013305   0.000062010
 C      0.102818      0.258635      0.936885    0.00   0.000029961   0.000054513   0.000120689
 C      1.593924     -1.717715      0.900439    0.00  -0.000006835   0.000044975  -0.000035367
 H      2.233249      1.741269     -1.298074    0.00  -0.000015870   0.000003100  -0.000001570
 H      3.577062     -0.157123     -0.284176    0.00  -0.000026617  -0.000008044  -0.000043781
 H      3.105809     -0.420862     -1.963256    0.00  -0.000047582   0.000001786  -0.000008259
 H      1.143649     -1.839378     -1.207581    0.00  -0.000020620   0.000011131   0.000016518
 H      2.720425     -2.507558     -0.767275    0.00  -0.000038993   0.000006540  -0.000015517
 H      2.099290      0.992937      1.280057    0.00   0.000000592  -0.000007074  -0.000014811
 H      2.311944     -1.248172      1.592292    0.00   0.000000972  -0.000000352  -0.000022246
 H      1.368698     -2.750442      1.236139    0.00   0.000004355   0.000006925  -0.000000801
 H      0.856184      0.667092     -1.529952    0.00  -0.000013906   0.000013836   0.000016272
 O     -1.038055      0.610195      1.167726    0.00   0.000039800   0.000099735   0.000118842
 C      0.804242      2.621671      0.671683    0.00   0.000175967   0.000025837   0.000252658
 H      0.408910      2.843719      1.672001    0.00   0.000037059  -0.000007167   0.000013264
 H      1.624305      3.318764      0.471897    0.00   0.000012195  -0.000004201   0.000014157
 H     -0.008573      2.843678     -0.036197    0.00   0.000019777   0.000008322   0.000045346
 H     -2.464069     -0.310913      0.604247    0.00  -0.000002722   0.000012949  -0.000010142
 O      0.292785     -1.098958      1.084838    0.00   0.000058150   0.000079033   0.000257127
 O     -2.163405      0.161513     -1.756687    0.00   0.000248435  -0.000433477  -0.000155923
 C     -3.190476     -0.255028     -1.267318    0.00   0.000164446  -0.000155461  -0.000115531
 H     -4.139463     -0.480133     -1.757430    0.00   0.000016292  -0.000016642  -0.000009798
 O     -3.304097     -0.527410      0.052294    0.00   0.000032504   0.000152902  -0.000158370
26
 Energy =      -0.317638675122
 C      2.019598     -1.664886     -0.561616    0.00  -0.000272789   0.000032135  -0.000093574
 C      2.688966     -0.341600     -0.941778    0.00  -0.000259723   0.000006468  -0.000208139
 C      1.728017      0.849247     -0.872868    0.00  -0.000169362   0.000057367  -0.000012688
 C      1.262512      1.166728      0.560448    0.00   0.000043105   0.000013906   0.000056671
 C      0.103772      0.260672      0.941370    0.00   0.000024984   0.000054034   0.000114919
 C      1.593426     -1.716261      0.899464    0.00  -0.000018005   0.000039928  -0.000041839
 H      2.226697      1.743310     -1.299490    0.00  -0.000015487   0.000002967  -0.000001573
 H      3.572098     -0.159505     -0.298633    0.00  -0.000026040  -0.000007615  -0.000041129
 H      3.088047     -0.421378     -1.974402    0.00  -0.000045269   0.000002114  -0.000007863
 H      1.128441     -1.835835     -1.205470    0.00  -0.000020060   0.000010902   0.000015005
 H      2.706786     -2.507628     -0.776418    0.00  -0.000038054   0.000006526  -0.000015110
 H      2.104039      0.988632      1.277822    0.00  -0.000000039  -0.000006473  -0.000014353
 H      2.316206     -1.247058      1.586566    0.00  -0.000000099  -0.000001011  -0.000021590
 H      1.369791     -2.748800      1.236701    0.00   0.000002677   0.000006126  -0.000001705
 H      0.845690      0.673102     -1.526570    0.00  -0.000013389   0.000013157   0.000015570
 O     -1.037004      0.613059      1.171254    0.00   0.000035050   0.000100639   0.000125280
 C      0.810908      2.622878      0.681031    0.00   0.000163400   0.000025171   0.000235241
 H      0.422690      2.843353      1.684450    0.00   0.000034767  -0.000006755   0.000011918
 H      1.631784      3.318096      0.477957    0.00   0.000011134  -0.000003941   0.000013048
 H     -0.005633      2.849269     -0.021122    0.00   0.000018721   0.000007797   0.000042644
 H     -2.464455     -0.305120      0.602004    0.00  -0.000002737   0.000012558  -0.000009536
 O      0.293801     -1.096629      1.091982    0.00   0.000045262   0.000075687   0.000233776
 O     -2.155174      0.149567     -1.761346    0.00   0.000266759  -0.000423926  -0.000128612
 C     -3.184788     -0.261046     -1.272269    0.00   0.000177790  -0.000151370  -0.000104294
 H     -4.132722     -0.487610     -1.763755    0.00   0.000017896  -0.000016152  -0.000009177
 O     -3.303237     -0.523318      0.048949    0.00   0.000039509   0.000149761  -0.000152890
26
 Energy =      -0.317699052189
 C      2.009142     -1.663565     -0.565680    0.00  -0.000267778   0.000031290  -0.000094344
 C      2.678838     -0.341548     -0.949786    0.00  -0.000253859   0.000007551  -0.000198100
 C      1.721341      0.851669     -0.873637    0.00  -0.000166443   0.000055343  -0.000013008
 C      1.263971      1.167059      0.562797    0.00   0.000036370   0.000014325   0.000051523
 C      0.104544      0.262750      0.945776    0.00   0.000019970   0.000053419   0.000109398
 C      1.592504     -1.714952      0.898189    0.00  -0.000028315   0.000035367  -0.000047535
 H      2.220074      1.745334     -1.300939    0.00  -0.000015199   0.000002846  -0.000001624
 H      3.566844     -0.161884     -0.312705    0.00  -0.000025406  -0.000007186  -0.000038652
 H      3.070489     -0.421729     -1.985226    0.00  -0.000043117   0.000002371  -0.000007628
 H      1.113291     -1.832186     -1.203676    0.00  -0.000019636   0.000010642   0.000013549
 H      2.693016     -2.507664     -0.785604    0.00  -0.000037101   0.000006464  -0.000014761
 H      2.108484      0.984506      1.275517    0.00  -0.000000588  -0.000005948  -0.000013891
 H      2.319936     -1.246286      1.580725    0.00  -0.000001054  -0.000001568  -0.000020929
 H      1.370269     -2.747327      1.236755    0.00   0.000001147   0.000005414  -0.000002489
 H      0.835221      0.679012     -1.523247    0.00  -0.000013028   0.000012472   0.000014846
 O     -1.036048      0.616028      1.175063    0.00   0.000030352   0.000101198   0.000130731
 C      0.817286      2.624083      0.690004    0.00   0.000151504   0.000024524   0.000218959
 H      0.436018      2.843022      1.696393    0.00   0.000032569  -0.000006333   0.000010772
 H      1.638934      3.317468      0.483697    0.00   0.000010169  -0.000003692   0.000012017
 H     -0.002839      2.854729     -0.006537    0.00   0.000017631   0.000007349   0.000040047
 H     -2.464784     -0.299330      0.600134    0.00  -0.000002745   0.000012098  -0.000008948
 O      0.294489     -1.094315      1.098683    0.00   0.000032972   0.000072528   0.000212341
 O     -2.146111      0.137545     -1.765378    0.00   0.000284715  -0.000414398  -0.000102097
 C     -3.178433     -0.267090     -1.276981    0.00   0.000190896  -0.000146928  -0.000093715
 H     -4.125153     -0.495096     -1.770151    0.00   0.000019497  -0.000015557  -0.000008605
 O     -3.302157     -0.519198      0.045710    0.00   0.000046474   0.000146407  -0.000147858
26
 Energy =      -0.317757864546
 C      1.998590     -1.662239     -0.569861    0.00  -0.000263195   0.000030457  -0.000095068
 C      2.668671     -0.341452     -0.957625    0.00  -0.000248682   0.000008410  -0.000189178
 C      1.714595      0.854064     -0.874436    0.00  -0.000164304   0.000053323  -0.000013666
 C      1.265206      1.167428      0.564996    0.00   0.000029822   0.000014532   0.000046609
 C      0.105126      0.264858      0.950088    0.00   0.000015008   0.000052734   0.000104229
 C      1.591170     -1.713783      0.896632    0.00  -0.000037733   0.000031288  -0.000052471
 H      2.213366      1.747327     -1.302439    0.00  -0.000014998   0.000002734  -0.000001719
 H      3.561318     -0.164244     -0.326377    0.00  -0.000024738  -0.000006766  -0.000036366
 H      3.053167     -0.421925     -1.995726    0.00  -0.000041139   0.000002563  -0.000007532
 H      1.098236     -1.828457     -1.202192    0.00  -0.000019340   0.000010358   0.000012164
 H      2.679160     -2.507669     -0.794801    0.00  -0.000036152   0.000006351  -0.000014460
 H      2.112613      0.980561      1.273138    0.00  -0.000001050  -0.000005495  -0.000013450
 H      2.323138     -1.245831      1.574789    0.00  -0.000001879  -0.000002036  -0.000020280
 H      1.370153     -2.746016      1.236334    0.00  -0.000000237   0.000004788  -0.000003165
 H      0.824780      0.684786     -1.519998    0.00  -0.000012821   0.000011791   0.000014116
 O     -1.035201      0.619085      1.179126    0.00   0.000025812   0.000101400   0.000135377
 C      0.823354      2.625281      0.698579    0.00   0.000140279   0.000023920   0.000203804
 H      0.448853      2.842725      1.707805    0.00   0.000030483  -0.000005909   0.000009823
 H      1.645734      3.316879      0.489106    0.00   0.000009301  -0.000003456   0.000011050
 H     -0.000206      2.860046      0.007519    0.00   0.000016509   0.000006962   0.000037565
 H     -2.465049     -0.293592      0.598642    0.00  -0.000002751   0.000011622  -0.000008381
 O      0.294849     -1.092025      1.104938    0.00   0.000021359   0.000069574   0.000192835
 O     -2.136224      0.125502     -1.768751    0.00   0.000302227  -0.000404872  -0.000076534
 C     -3.171419     -0.273121     -1.281435    0.00   0.000203739  -0.000142212  -0.000083932
 H     -4.116765     -0.502519     -1.776602    0.00   0.000021100  -0.000014902  -0.000008107
 O     -3.300851     -0.515075      0.042579    0.00   0.000053378   0.000142842  -0.000143264
26
 Energy =      -0.317815408101
 C      1.987972     -1.660917     -0.574141    0.00  -0.000259081   0.000029626  -0.000095725
 C      2.658485     -0.341315     -0.965291    0.00  -0.000244248   0.000009070  -0.000181367
 C      1.707780      0.856417     -0.875275    0.00  -0.000162946   0.000051290  -0.000014598
 C      1.266208      1.167827      0.567034    0.00   0.000023532   0.000014607   0.000041881
 C      0.105513      0.266982      0.954292    0.00   0.000010122   0.000051931   0.000099475
 C      1.589447     -1.712745      0.894819    0.00  -0.000046276   0.000027647  -0.000056732
 H      2.206562      1.749279     -1.304007    0.00  -0.000014895   0.000002625  -0.000001855
 H      3.555543     -0.166570     -0.339647    0.00  -0.000024067  -0.000006359  -0.000034278
 H      3.036105     -0.421979     -2.005903    0.00  -0.000039355   0.000002694  -0.000007550
 H      1.083305     -1.824678     -1.201005    0.00  -0.000019160   0.000010060   0.000010865
 H      2.665265     -2.507643     -0.803978    0.00  -0.000035227   0.000006193  -0.000014211
 H      2.116418      0.976798      1.270681    0.00  -0.000001434  -0.000005102  -0.000013026
 H      2.325826     -1.245666      1.568781    0.00  -0.000002593  -0.000002420  -0.000019649
 H      1.369476     -2.744858      1.235478    0.00  -0.000001475   0.000004244  -0.000003744
 H      0.814366      0.690389     -1.516833    0.00  -0.000012752   0.000011122   0.000013391
 O     -1.034472      0.622210      1.183412    0.00   0.000021472   0.000101276   0.000139407
 C      0.829094      2.626467      0.706739    0.00   0.000129729   0.000023326   0.000189752
 H      0.461164      2.842461      1.718666    0.00   0.000028530  -0.000005486   0.000009027
 H      1.652168      3.316323      0.494172    0.00   0.000008506  -0.000003235   0.000010146
 H      0.002247      2.865211      0.021017    0.00   0.000015377   0.000006639   0.000035227
 H     -2.465245     -0.287945      0.597526    0.00  -0.000002755   0.000011117  -0.000007840
 O      0.294888     -1.089770      1.110753    0.00   0.000010534   0.000066862   0.000175313
 O     -2.125536      0.113501     -1.771445    0.00   0.000319285  -0.000395336  -0.000052102
 C     -3.163758     -0.279100     -1.285621    0.00   0.000216282  -0.000137348  -0.000074996
 H     -4.107576     -0.509823     -1.783097    0.00   0.000022709  -0.000014197  -0.000007671
 O     -3.299320     -0.510970      0.039553    0.00   0.000060184   0.000139154  -0.000139140
26
 Energy =      -0.317871966703
 C      1.977319     -1.659605     -0.578500    0.00  -0.000255490   0.000028797  -0.000096305
 C      2.648297     -0.341143     -0.972786    0.00  -0.000240592   0.000009526  -0.000174631
 C      1.700892      0.858714     -0.876162    0.00  -0.000162366   0.000049264  -0.000015800
 C      1.266974      1.168251      0.568903    0.00   0.000017481   0.000014541   0.000037369
 C      0.105707      0.269110      0.958381    0.00   0.000005393   0.000051068   0.000095156
 C      1.587363     -1.711830      0.892774    0.00  -0.000053939   0.000024436  -0.000060371
 H      2.199646      1.751177     -1.305661    0.00  -0.000014886   0.000002520  -0.000002029
 H      3.549541     -0.168846     -0.352515    0.00  -0.000023414  -0.000005972  -0.000032399
 H      3.019319     -0.421907     -2.015765    0.00  -0.000037772   0.000002768  -0.000007654
 H      1.068526     -1.820879     -1.200094    0.00  -0.000019076   0.000009753   0.000009666
 H      2.651372     -2.507589     -0.813104    0.00  -0.000034343   0.000005998  -0.000014008
 H      2.119899      0.973214      1.268141    0.00  -0.000001751  -0.000004765  -0.000012635
 H      2.328024     -1.245759      1.562723    0.00  -0.000003200  -0.000002729  -0.000019055
 H      1.368279     -2.743842      1.234234    0.00  -0.000002564   0.000003774  -0.000004234
 H      0.803978      0.695791     -1.513762    0.00  -0.000012815   0.000010460   0.000012688
 O     -1.033866      0.625382      1.187892    0.00   0.000017383   0.000100835   0.000142995
 C      0.834492      2.627634      0.714472    0.00   0.000119837   0.000022767   0.000176760
 H      0.472929      2.842230      1.728968    0.00   0.000026715  -0.000005074   0.000008365
 H      1.658220      3.315797      0.498887    0.00   0.000007779  -0.000003028   0.000009294
 H      0.004506      2.870214      0.033937    0.00   0.000014247   0.000006361   0.000033040
 H     -2.465370     -0.282426      0.596775    0.00  -0.000002771   0.000010605  -0.000007330
 O      0.294622     -1.087559      1.116144    0.00   0.000000542   0.000064368   0.000159771
 O     -2.114082      0.101600     -1.773456    0.00   0.000335887  -0.000385789  -0.000028887
 C     -3.155475     -0.284992     -1.289532    0.00   0.000228476  -0.000132419  -0.000066950
 H     -4.097614     -0.516955     -1.789623    0.00   0.000024321  -0.000013463  -0.000007307
 O     -3.297564     -0.506908      0.036626    0.00   0.000066917   0.000135397  -0.000135510
26
 Energy =      -0.317927806573
 C      1.966657     -1.658313     -0.582916    0.00  -0.000252441   0.000027961  -0.000096823
 C      2.638121     -0.340942     -0.980114    0.00  -0.000237738   0.000009795  -0.000168919
 C      1.693931      0.860942     -0.877107    0.00  -0.000162554   0.000047240  -0.000017228
 C      1.267503      1.168692      0.570599    0.00   0.000011686   0.000014368   0.000033045
 C      0.105712      0.271230      0.962350    0.00   0.000000870   0.000050143   0.000091317
 C      1.584950     -1.711027      0.890529    0.00  -0.000060756   0.000021630  -0.000063442
 H      2.192605      1.753011     -1.307416    0.00  -0.000014969   0.000002415  -0.000002237
 H      3.543333     -0.171060     -0.364993    0.00  -0.000022808  -0.000005608  -0.000030735
 H      3.002815     -0.421728     -2.025322    0.00  -0.000036394   0.000002800  -0.000007816
 H      1.053922     -1.817088     -1.199433    0.00  -0.000019080   0.000009443   0.000008577
 H      2.637521     -2.507511     -0.822153    0.00  -0.000033509   0.000005772  -0.000013843
 H      2.123060      0.969809      1.265515    0.00  -0.000002011  -0.000004477  -0.000012288
 H      2.329764     -1.246077      1.556634    0.00  -0.000003715  -0.000002975  -0.000018501
 H      1.366614     -2.742954      1.232651    0.00  -0.000003514   0.000003375  -0.000004644
 H      0.793610      0.700963     -1.510790    0.00  -0.000012985   0.000009814   0.000012015
 O     -1.033386      0.628579      1.192542    0.00   0.000013561   0.000100094   0.000146303
 C      0.839539      2.628779      0.721772    0.00   0.000110573   0.000022227   0.000164771
 H      0.484140      2.842029      1.738707    0.00   0.000025050  -0.000004676   0.000007806
 H      1.663884      3.315298      0.503243    0.00   0.000007105  -0.000002842   0.000008486
 H      0.006557      2.875045      0.046271    0.00   0.000013134   0.000006125   0.000031018
 H     -2.465425     -0.277064      0.596374    0.00  -0.000002795   0.000010093  -0.000006858
 O      0.294072     -1.085398      1.121134    0.00  -0.000008561   0.000062089   0.000146164
 O     -2.101911      0.089860     -1.774788    0.00   0.000352040  -0.000376212  -0.000006964
 C     -3.146603     -0.290765     -1.293171    0.00   0.000240330  -0.000127498  -0.000059804
 H     -4.086917     -0.523874     -1.796172    0.00   0.000025934  -0.000012720  -0.000007011
 O     -3.295587     -0.502908      0.033788    0.00   0.000073548   0.000131624  -0.000132391
26
 Energy =      -0.317983172437
 C      1.956010     -1.657047     -0.587371    0.00  -0.000249946   0.000027115  -0.000097245
 C      2.627964     -0.340719     -0.987281    0.00  -0.000235694   0.000009897  -0.000164179
 C      1.686892      0.863087     -0.878116    0.00  -0.000163495   0.000045211  -0.000018871
 C      1.267799      1.169145      0.572119    0.00   0.000006144   0.000014103   0.000028914
 C      0.105537      0.273329      0.966200    0.00  -0.000003414   0.000049185   0.000087981
 C      1.582246     -1.710327      0.888113    0.00  -0.000066766   0.000019185  -0.000066006
 H      2.185423      1.754770     -1.309289    0.00  -0.000015140   0.000002308  -0.000002475
 H      3.536942     -0.173203     -0.377100    0.00  -0.000022261  -0.000005270  -0.000029285
 H      2.986593     -0.421459     -2.034590    0.00  -0.000035225   0.000002788  -0.000008019
 H      1.039507     -1.813331     -1.198993    0.00  -0.000019150   0.000009134   0.000007604
 H      2.623746     -2.507412     -0.831099    0.00  -0.000032741   0.000005528  -0.000013710
 H      2.125911      0.966580      1.262799    0.00  -0.000002226  -0.000004224  -0.000011994
 H      2.331083     -1.246584      1.550534    0.00  -0.000004147  -0.000003159  -0.000017997
 H      1.364535     -2.742181      1.230781    0.00  -0.000004327   0.000003036  -0.000004982
 H      0.783254      0.705883     -1.507919    0.00  -0.000013256   0.000009179   0.000011389
 O     -1.033030      0.631779      1.197336    0.00   0.000010024   0.000099074   0.000149449
 C      0.844233      2.629895      0.728640    0.00   0.000101896   0.000021706   0.000153718
 H      0.494800      2.841858      1.747891    0.00   0.000023532  -0.000004303   0.000007321
 H      1.669154      3.314823      0.507232    0.00   0.000006471  -0.000002672   0.000007720
 H      0.008388      2.879697      0.058020    0.00   0.000012054   0.000005914   0.000029163
 H     -2.465411     -0.271879      0.596298    0.00  -0.000002831   0.000009596  -0.000006434
 O      0.293262     -1.083295      1.125755    0.00  -0.000016748   0.000060010   0.000134413
 O     -2.089077      0.078335     -1.775461    0.00   0.000367794  -0.000366583   0.000013621
 C     -3.137178     -0.296393     -1.296547    0.00   0.000251819  -0.000122650  -0.000053513
 H     -4.075525     -0.530549     -1.802740    0.00   0.000027548  -0.000011985  -0.000006779
 O     -3.293397     -0.498987      0.031028    0.00   0.000080085   0.000127878  -0.000129805
26
 Energy =      -0.318038285422
 C      1.945399     -1.655815     -0.591843    0.00  -0.000248002   0.000026247  -0.000097578
 C      2.617833     -0.340480     -0.994296    0.00  -0.000234449   0.000009853  -0.000160349
 C      1.679770      0.865141     -0.879194    0.00  -0.000165153   0.000043166  -0.000020682
 C      1.267868      1.169603      0.573464    0.00   0.000000840   0.000013774   0.000024932
 C      0.105193      0.275399      0.969934    0.00  -0.000007430   0.000048182   0.000085141
 C      1.579291     -1.709716      0.885557    0.00  -0.000072014   0.000017087  -0.000068123
 H      2.178085      1.756447     -1.311292    0.00  -0.000015406   0.000002194  -0.000002740
 H      3.530386     -0.175265     -0.388861    0.00  -0.000021788  -0.000004951  -0.000028040
 H      2.970640     -0.421121     -2.043590    0.00  -0.000034255   0.000002740  -0.000008245
 H      1.025290     -1.809633     -1.198741    0.00  -0.000019274   0.000008832   0.000006750
 H      2.610073     -2.507297     -0.839923    0.00  -0.000032050   0.000005267  -0.000013601
 H      2.128467      0.963522      1.259986    0.00  -0.000002408  -0.000004004  -0.000011753
 H      2.332025     -1.247246      1.544435    0.00  -0.000004504  -0.000003296  -0.000017551
 H      1.362101     -2.741508      1.228677    0.00  -0.000005015   0.000002751  -0.000005253
 H      0.772897      0.710530     -1.505147    0.00  -0.000013603   0.000008561   0.000010817
 O     -1.032793      0.634962      1.202255    0.00   0.000006764   0.000097805   0.000152568
 C      0.848575      2.630980      0.735079    0.00   0.000093767   0.000021197   0.000143516
 H      0.504917      2.841715      1.756529    0.00   0.000022164  -0.000003952   0.000006893
 H      1.674031      3.314367      0.510854    0.00   0.000005868  -0.000002520   0.000006982
 H      0.009991      2.884166      0.069194    0.00   0.000011011   0.000005725   0.000027477
 H     -2.465332     -0.266885      0.596521    0.00  -0.000002878   0.000009118  -0.000006056
 O      0.292222     -1.081254      1.130040    0.00  -0.000024011   0.000058095   0.000124436
 O     -2.075640      0.067074     -1.775500    0.00   0.000383157  -0.000356888   0.000032889
 C     -3.127242     -0.301853     -1.299671    0.00   0.000262974  -0.000117917  -0.000048044
 H     -4.063485     -0.536960     -1.809325    0.00   0.000029159  -0.000011267  -0.000006604
 O     -3.291001     -0.495159      0.028329    0.00   0.000086535   0.000124198  -0.000127781
26
 Energy =      -0.318093342631
 C      1.934838     -1.654622     -0.596316    0.00  -0.000246603   0.000025356  -0.000097810
 C      2.607730     -0.340232     -1.001171    0.00  -0.000233978   0.000009675  -0.000157356
 C      1.672560      0.867094     -0.880348    0.00  -0.000167505   0.000041110  -0.000022640
 C      1.267718      1.170063      0.574634    0.00  -0.000004249   0.000013378   0.000021103
 C      0.104694      0.277428      0.973559    0.00  -0.000011162   0.000047180   0.000082786
 C      1.576124     -1.709183      0.882890    0.00  -0.000076543   0.000015293  -0.000069832
 H      2.170576      1.758035     -1.313437    0.00  -0.000015758   0.000002069  -0.000003028
 H      3.523682     -0.177241     -0.400305    0.00  -0.000021398  -0.000004665  -0.000026992
 H      2.954938     -0.420731     -2.052342    0.00  -0.000033485   0.000002672  -0.000008488
 H      1.011275     -1.806016     -1.198643    0.00  -0.000019439   0.000008532   0.000006016
 H      2.596523     -2.507171     -0.848609    0.00  -0.000031439   0.000005003  -0.000013513
 H      2.130744      0.960632      1.257073    0.00  -0.000002561  -0.000003803  -0.000011584
 H      2.332635     -1.248031      1.538352    0.00  -0.000004797  -0.000003385  -0.000017162
 H      1.359373     -2.740922      1.226388    0.00  -0.000005585   0.000002513  -0.000005467
 H      0.762527      0.714891     -1.502472    0.00  -0.000014013   0.000007956   0.000010304
 O     -1.032669      0.638109      1.207284    0.00   0.000003787   0.000096288   0.000155736
 C      0.852571      2.632031      0.741101    0.00   0.000086124   0.000020705   0.000134089
 H      0.514514      2.841601      1.764642    0.00   0.000020939  -0.000003626   0.000006496
 H      1.678519      3.313929      0.514105    0.00   0.000005289  -0.000002390   0.000006273
 H      0.011357      2.888447      0.079813    0.00   0.000010018   0.000005549   0.000025954
 H     -2.465192     -0.262087      0.597011    0.00  -0.000002934   0.000008660  -0.000005732
 O      0.290983     -1.079279      1.134029    0.00  -0.000030361   0.000056321   0.000116124
 O     -2.061661      0.056119     -1.774940    0.00   0.000398184  -0.000347122   0.000050857
 C     -3.116836     -0.307128     -1.302563    0.00   0.000273807  -0.000113304  -0.000043341
 H     -4.050843     -0.543097     -1.815927    0.00   0.000030758  -0.000010574  -0.000006478
 O     -3.288410     -0.491435      0.025677    0.00   0.000092904   0.000120610  -0.000126316
26
 Energy =      -0.318148517826
 C      1.924339     -1.653473     -0.600773    0.00  -0.000245715   0.000024436  -0.000097940
 C      2.597652     -0.339982     -1.007920    0.00  -0.000234260   0.000009373  -0.000155128
 C      1.665255      0.868940     -0.881579    0.00  -0.000170513   0.000039035  -0.000024737
 C      1.267359      1.170518      0.575633    0.00  -0.000009121   0.000012948   0.000017404
 C      0.104054      0.279411      0.977085    0.00  -0.000014598   0.000046141   0.000080902
 C      1.572784     -1.708718      0.880142    0.00  -0.000080403   0.000013782  -0.000071198
 H      2.162880      1.759527     -1.315735    0.00  -0.000016191   0.000001933  -0.000003334
 H      3.516845     -0.179126     -0.411465    0.00  -0.000021097  -0.000004399  -0.000026129
 H      2.939464     -0.420309     -2.060870    0.00  -0.000032892   0.000002580  -0.000008731
 H      0.997460     -1.802498     -1.198664    0.00  -0.000019636   0.000008240   0.000005399
 H      2.583109     -2.507039     -0.857145    0.00  -0.000030912   0.000004737  -0.000013438
 H      2.132762      0.957903      1.254055    0.00  -0.000002700  -0.000003624  -0.000011475
 H      2.332960     -1.248908      1.532293    0.00  -0.000005032  -0.000003437  -0.000016831
 H      1.356407     -2.740409      1.223963    0.00  -0.000006052   0.000002315  -0.000005625
 H      0.752128      0.718955     -1.499886    0.00  -0.000014474   0.000007364   0.000009852
 O     -1.032649      0.641201      1.212408    0.00   0.000001060   0.000094562   0.000159035
 C      0.856231      2.633044      0.746716    0.00   0.000078933   0.000020218   0.000125355
 H      0.523614      2.841513      1.772248    0.00   0.000019843  -0.000003328   0.000006119
 H      1.682624      3.313505      0.516987    0.00   0.000004723  -0.000002278   0.000005584
 H      0.012484      2.892540      0.089901    0.00   0.000009071   0.000005381   0.000024586
 H     -2.464996     -0.257489      0.597737    0.00  -0.000002995   0.000008230  -0.000005460
 O      0.289578     -1.077370      1.137762    0.00  -0.000035827   0.000054665   0.000109365
 O     -2.047200      0.045504     -1.773821    0.00   0.000412889  -0.000337268   0.000067585
 C     -3.106001     -0.312207     -1.305240    0.00   0.000284348  -0.000108838  -0.000039335
 H     -4.037644     -0.548954     -1.822545    0.00   0.000032344  -0.000009913  -0.000006401
 O     -3.285632     -0.487823      0.023054    0.00   0.000099208   0.000117144  -0.000125422
26
 Energy =      -0.318203962862
 C      1.913910     -1.652373     -0.605199    0.00  -0.000245319   0.000023477  -0.000097973
 C      2.587594     -0.339736     -1.014555    0.00  -0.000235256   0.000008980  -0.000153589
 C      1.657847      0.870675     -0.882890    0.00  -0.000174110   0.000036927  -0.000026944
 C      1.266802      1.170967      0.576467    0.00  -0.000013800   0.000012487   0.000013815
 C      0.103288      0.281339      0.980523    0.00  -0.000017758   0.000045094   0.000079463
 C      1.569308     -1.708311      0.877336    0.00  -0.000083675   0.000012514  -0.000072237
 H      2.154986      1.760920     -1.318192    0.00  -0.000016706   0.000001782  -0.000003663
 H      3.509886     -0.180917     -0.422375    0.00  -0.000020883  -0.000004150  -0.000025436
 H      2.924190     -0.419870     -2.069198    0.00  -0.000032468   0.000002463  -0.000008973
 H      0.983837     -1.799094     -1.198773    0.00  -0.000019860   0.000007957   0.000004891
 H      2.569840     -2.506906     -0.865522    0.00  -0.000030466   0.000004478  -0.000013373
 H      2.134541      0.955329      1.250928    0.00  -0.000002832  -0.000003462  -0.000011427
 H      2.333043     -1.249848      1.526265    0.00  -0.000005222  -0.000003453  -0.000016557
 H      1.353259     -2.739957      1.221445    0.00  -0.000006413   0.000002151  -0.000005732
 H      0.741685      0.722718     -1.497385    0.00  -0.000014974   0.000006789   0.000009470
 O     -1.032725      0.644225      1.217618    0.00  -0.000001398   0.000092619   0.000162490
 C      0.859565      2.634019      0.751942    0.00   0.000072124   0.000019736   0.000117234
 H      0.532246      2.841452      1.779373    0.00   0.000018872  -0.000003057   0.000005757
 H      1.686355      3.313094      0.519502    0.00   0.000004166  -0.000002180   0.000004908
 H      0.013369      2.896445      0.099483    0.00   0.000008171   0.000005214   0.000023362
 H     -2.464750     -0.253087      0.598665    0.00  -0.000003065   0.000007830  -0.000005238
 O      0.288036     -1.075531      1.141279    0.00  -0.000040426   0.000053112   0.000104040
 O     -2.032314      0.035258     -1.772185    0.00   0.000427297  -0.000327322   0.000083136
 C     -3.094777     -0.317081     -1.307724    0.00   0.000294609  -0.000104515  -0.000035951
 H     -4.023932     -0.554535     -1.829183    0.00   0.000033912  -0.000009291  -0.000006362
 O     -3.282677     -0.484328      0.020445    0.00   0.000105479   0.000113818  -0.000125112
26
 Energy =      -0.318259809305
 C      1.903556     -1.651326     -0.609583    0.00  -0.000245386   0.000022488  -0.000097906
 C      2.577552     -0.339498     -1.021090    0.00  -0.000236905   0.000008486  -0.000152667
 C      1.650332      0.872294     -0.884282    0.00  -0.000178269   0.000034796  -0.000029219
 C      1.266057      1.171405      0.577141    0.00  -0.000018298   0.000012013   0.000010316
 C      0.102411      0.283208      0.983883    0.00  -0.000020607   0.000044024   0.000078453
 C      1.565729     -1.707950      0.874497    0.00  -0.000086371   0.000011478  -0.000072993
 H      2.146880      1.762211     -1.320815    0.00  -0.000017293   0.000001614  -0.000004003
 H      3.502815     -0.182614     -0.433069    0.00  -0.000020754  -0.000003926  -0.000024898
 H      2.909087     -0.419430     -2.077348    0.00  -0.000032202   0.000002337  -0.000009216
 H      0.970398     -1.795816     -1.198937    0.00  -0.000020103   0.000007677   0.000004490
 H      2.556720     -2.506777     -0.873737    0.00  -0.000030100   0.000004226  -0.000013314
 H      2.136101      0.952906      1.247688    0.00  -0.000002954  -0.000003306  -0.000011440
 H      2.332928     -1.250827      1.520272    0.00  -0.000005362  -0.000003442  -0.000016338
 H      1.349980     -2.739553      1.218873    0.00  -0.000006693   0.000002018  -0.000005797
 H      0.731185      0.726175     -1.494958    0.00  -0.000015497   0.000006226   0.000009141
 O     -1.032885      0.647167      1.222906    0.00  -0.000003644   0.000090496   0.000166143
 C      0.862585      2.634954      0.756793    0.00   0.000065661   0.000019255   0.000109647
 H      0.540442      2.841416      1.786042    0.00   0.000018015  -0.000002810   0.000005392
 H      1.689721      3.312694      0.521652    0.00   0.000003610  -0.000002101   0.000004247
 H      0.014009      2.900161      0.108592    0.00   0.000007321   0.000005053   0.000022275
 H     -2.464457     -0.248874      0.599765    0.00  -0.000003129   0.000007456  -0.000005069
 O      0.286388     -1.073760      1.144618    0.00  -0.000044232   0.000051620   0.000100026
 O     -2.017059      0.025402     -1.770075    0.00   0.000441411  -0.000317286   0.000097570
 C     -3.083202     -0.321745     -1.310037    0.00   0.000304627  -0.000100326  -0.000033143
 H     -4.009751     -0.559844     -1.835843    0.00   0.000035453  -0.000008701  -0.000006357
 O     -3.279554     -0.480951      0.017833    0.00   0.000111701   0.000110636  -0.000125340
26
 Energy =       -0.31831616991
 C      1.893278     -1.650334     -0.613913    0.00  -0.000245868   0.000021467  -0.000097749
 C      2.567518     -0.339274     -1.027538    0.00  -0.000239164   0.000007902  -0.000152288
 C      1.642703      0.873797     -0.885754    0.00  -0.000182909   0.000032651  -0.000031575
 C      1.265136      1.171831      0.577661    0.00  -0.000022657   0.000011507   0.000006922
 C      0.101438      0.285014      0.987179    0.00  -0.000023187   0.000042929   0.000077825
 C      1.562079     -1.707629      0.871645    0.00  -0.000088575   0.000010631  -0.000073487
 H      2.138554      1.763398     -1.323606    0.00  -0.000017937   0.000001431  -0.000004353
 H      3.495641     -0.184217     -0.443578    0.00  -0.000020705  -0.000003717  -0.000024501
 H      2.894127     -0.419002     -2.085342    0.00  -0.000032071   0.000002198  -0.000009449
 H      0.957131     -1.792672     -1.199128    0.00  -0.000020363   0.000007409   0.000004186
 H      2.543748     -2.506655     -0.881785    0.00  -0.000029811   0.000003982  -0.000013260
 H      2.137462      0.950627      1.244332    0.00  -0.000003078  -0.000003156  -0.000011509
 H      2.332655     -1.251823      1.514316    0.00  -0.000005471  -0.000003404  -0.000016165
 H      1.346617     -2.739188      1.216283    0.00  -0.000006885   0.000001908  -0.000005823
 H      0.720614      0.729329     -1.492598    0.00  -0.000016041   0.000005675   0.000008874
 O     -1.033121      0.650016      1.228267    0.00  -0.000005646   0.000088198   0.000169995
 C      0.865307      2.635849      0.761288    0.00   0.000059503   0.000018778   0.000102533
 H      0.548231      2.841404      1.792278    0.00   0.000017256  -0.000002588   0.000005030
 H      1.692735      3.312305      0.523446    0.00   0.000003055  -0.000002035   0.000003595
 H      0.014407      2.903693      0.117257    0.00   0.000006512   0.000004886   0.000021306
 H     -2.464123     -0.244843      0.601005    0.00  -0.000003198   0.000007111  -0.000004945
 O      0.284662     -1.072057      1.147816    0.00  -0.000047252   0.000050212   0.000097204
 O     -2.001484      0.015951     -1.767534    0.00   0.000455195  -0.000307180   0.000110965
 C     -3.071312     -0.326196     -1.312199    0.00   0.000314413  -0.000096251  -0.000030847
 H     -3.995138     -0.564892     -1.842527    0.00   0.000036965  -0.000008150  -0.000006387
 O     -3.276273     -0.477693      0.015205    0.00   0.000117919   0.000107607  -0.000126098
26
 Energy =      -0.318373139559
 C      1.883076     -1.649399     -0.618182    0.00  -0.000246741   0.000020409  -0.000097486
 C      2.557485     -0.339069     -1.033910    0.00  -0.000241958   0.000007249  -0.000152367
 C      1.634957      0.875182     -0.887307    0.00  -0.000187958   0.000030490  -0.000033961
 C      1.264050      1.172243      0.578034    0.00  -0.000026856   0.000011002   0.000003597
 C      0.100382      0.286753      0.990421    0.00  -0.000025494   0.000041824   0.000077559
 C      1.558384     -1.707340      0.868796    0.00  -0.000090320   0.000009950  -0.000073758
 H      2.130002      1.764482     -1.326565    0.00  -0.000018640   0.000001233  -0.000004708
 H      3.488370     -0.185729     -0.453934    0.00  -0.000020729  -0.000003526  -0.000024226
 H      2.879280     -0.418598     -2.093200    0.00  -0.000032068   0.000002042  -0.000009678
 H      0.944022     -1.789667     -1.199320    0.00  -0.000020633   0.000007153   0.000003968
 H      2.530920     -2.506545     -0.889668    0.00  -0.000029597   0.000003755  -0.000013213
 H      2.138643      0.948486      1.240860    0.00  -0.000003199  -0.000003016  -0.000011627
 H      2.332261     -1.252816      1.508400    0.00  -0.000005543  -0.000003347  -0.000016045
 H      1.343211     -2.738853      1.213704    0.00  -0.000007008   0.000001822  -0.000005808
 H      0.709961      0.732184     -1.490296    0.00  -0.000016587   0.000005142   0.000008659
 O     -1.033422      0.652763      1.233696    0.00  -0.000007432   0.000085733   0.000174032
 C      0.867742      2.636704      0.765445    0.00   0.000053605   0.000018303   0.000095836
 H      0.555645      2.841417      1.798109    0.00   0.000016584  -0.000002381   0.000004662
 H      1.695406      3.311925      0.524888    0.00   0.000002500  -0.000001985   0.000002950
 H      0.014564      2.907043      0.125510    0.00   0.000005745   0.000004715   0.000020445
 H     -2.463751     -0.240984      0.602356    0.00  -0.000003256   0.000006794  -0.000004862
 O      0.282883     -1.070422      1.150907    0.00  -0.000049558   0.000048844   0.000095461
 O     -1.985635      0.006914     -1.764605    0.00   0.000468635  -0.000297013   0.000123361
 C     -3.059139     -0.330435     -1.314231    0.00   0.000323952  -0.000092289  -0.000028998
 H     -3.980133     -0.569688     -1.849236    0.00   0.000038439  -0.000007633  -0.000006441
 O     -3.272841     -0.474554      0.012546    0.00   0.000124117   0.000104730  -0.000127353
26
 Energy =      -0.318430795575
 C      1.872947     -1.648521     -0.622382    0.00  -0.000247961   0.000019333  -0.000097140
 C      2.547445     -0.338885     -1.040217    0.00  -0.000245219   0.000006512  -0.000152839
 C      1.627092      0.876453     -0.888936    0.00  -0.000193321   0.000028332  -0.000036359
 C      1.262809      1.172640      0.578268    0.00  -0.000030927   0.000010468   0.000000387
 C      0.099257      0.288424      0.993619    0.00  -0.000027526   0.000040719   0.000077584
 C      1.554670     -1.707075      0.865966    0.00  -0.000091637   0.000009409  -0.000073838
 H      2.121221      1.765461     -1.329690    0.00  -0.000019381   0.000001023  -0.000005064
 H      3.481008     -0.187153     -0.464164    0.00  -0.000020819  -0.000003353  -0.000024060
 H      2.864521     -0.418228     -2.100939    0.00  -0.000032171   0.000001882  -0.000009898
 H      0.931058     -1.786805     -1.199488    0.00  -0.000020912   0.000006905   0.000003835
 H      2.518229     -2.506451     -0.897388    0.00  -0.000029453   0.000003539  -0.000013163
 H      2.139660      0.946478      1.237269    0.00  -0.000003322  -0.000002871  -0.000011791
 H      2.331777     -1.253793      1.502522    0.00  -0.000005584  -0.000003272  -0.000015965
 H      1.339797     -2.738540      1.211161    0.00  -0.000007069   0.000001758  -0.000005764
 H      0.699219      0.734748     -1.488046    0.00  -0.000017130   0.000004628   0.000008495
 O     -1.033779      0.655403      1.239190    0.00  -0.000009008   0.000083127   0.000178236
 C      0.869906      2.637518      0.769281    0.00   0.000047939   0.000017835   0.000089500
 H      0.562714      2.841454      1.803558    0.00   0.000015991  -0.000002195   0.000004294
 H      1.697748      3.311553      0.525987    0.00   0.000001942  -0.000001943   0.000002312
 H      0.014485      2.910214      0.133380    0.00   0.000005015   0.000004538   0.000019679
 H     -2.463343     -0.237285      0.603792    0.00  -0.000003302   0.000006506  -0.000004820
 O      0.281076     -1.068853      1.153920    0.00  -0.000051201   0.000047515   0.000094696
 O     -1.969557     -0.001706     -1.761328    0.00   0.000481651  -0.000286812   0.000134802
 C     -3.046713     -0.334464     -1.316151    0.00   0.000333239  -0.000088434  -0.000027553
 H     -3.964769     -0.574245     -1.855971    0.00   0.000039868  -0.000007152  -0.000006518
 O     -3.269267     -0.471529      0.009846    0.00   0.000130298   0.000102003  -0.000129048
26
 Energy =      -0.318489197274
 C      1.862888     -1.647702     -0.626508    0.00  -0.000249503   0.000018239  -0.000096709
 C      2.537392     -0.338727     -1.046469    0.00  -0.000248860   0.000005724  -0.000153628
 C      1.619106      0.877610     -0.890640    0.00  -0.000198888   0.000026184  -0.000038716
 C      1.261425      1.173022      0.578369    0.00  -0.000034824   0.000009966  -0.000002747
 C      0.098075      0.290026      0.996784    0.00  -0.000029304   0.000039578   0.000077896
 C      1.550955     -1.706831      0.863167    0.00  -0.000092584   0.000009000  -0.000073734
 H      2.112213      1.766339     -1.332976    0.00  -0.000020152   0.000000800  -0.000005419
 H      3.473559     -0.188494     -0.474292    0.00  -0.000020967  -0.000003200  -0.000023985
 H      2.849824     -0.417900     -2.108576    0.00  -0.000032367   0.000001713  -0.000010109
 H      0.918222     -1.784082     -1.199614    0.00  -0.000021198   0.000006673   0.000003779
 H      2.505664     -2.506377     -0.904950    0.00  -0.000029374   0.000003336  -0.000013118
 H      2.140530      0.944597      1.233561    0.00  -0.000003445  -0.000002732  -0.000011988
 H      2.331232     -1.254741      1.496680    0.00  -0.000005606  -0.000003188  -0.000015924
 H      1.336406     -2.738244      1.208674    0.00  -0.000007069   0.000001709  -0.000005694
 H      0.688384      0.737032     -1.485838    0.00  -0.000017653   0.000004141   0.000008372
 O     -1.034183      0.657929      1.244745    0.00  -0.000010380   0.000080393   0.000182551
 C      0.871812      2.638294      0.772815    0.00   0.000042487   0.000017362   0.000083497
 H      0.569466      2.841514      1.808649    0.00   0.000015466  -0.000002023   0.000003916
 H      1.699773      3.311192      0.526753    0.00   0.000001378  -0.000001912   0.000001685
 H      0.014173      2.913212      0.140896    0.00   0.000004321   0.000004359   0.000018999
 H     -2.462902     -0.233736      0.605287    0.00  -0.000003337   0.000006240  -0.000004815
 O      0.279259     -1.067347      1.156883    0.00  -0.000052223   0.000046229   0.000094779
 O     -1.953286     -0.009910     -1.757744    0.00   0.000494169  -0.000276619   0.000145311
 C     -3.034064     -0.338288     -1.317976    0.00   0.000342216  -0.000084688  -0.000026454
 H     -3.949081     -0.578576     -1.862731    0.00   0.000041240  -0.000006706  -0.000006612
 O     -3.265556     -0.468615      0.007095    0.00   0.000136458   0.000099420  -0.000131134
26
 Energy =      -0.318548384688
 C      1.852892     -1.646940     -0.630559    0.00  -0.000251309   0.000017146  -0.000096191
 C      2.527320     -0.338596     -1.052673    0.00  -0.000252789   0.000004863  -0.000154639
 C      1.611004      0.878659     -0.892413    0.00  -0.000204537   0.000024083  -0.000041028
 C      1.259909      1.173387      0.578347    0.00  -0.000038576   0.000009450  -0.000005752
 C      0.096847      0.291558      0.999925    0.00  -0.000030833   0.000038455   0.000078431
 C      1.547258     -1.706602      0.860407    0.00  -0.000093197   0.000008674  -0.000073496
 H      2.102985      1.767119     -1.336414    0.00  -0.000020923   0.000000573  -0.000005762
 H      3.466029     -0.189760     -0.484339    0.00  -0.000021165  -0.000003065  -0.000023987
 H      2.835167     -0.417622     -2.116125    0.00  -0.000032635   0.000001537  -0.000010306
 H      0.905497     -1.781495     -1.199678    0.00  -0.000021482   0.000006462   0.000003790
 H      2.493212     -2.506325     -0.912361    0.00  -0.000029366   0.000003153  -0.000013074
 H      2.141268      0.942838      1.229739    0.00  -0.000003572  -0.000002592  -0.000012209
 H      2.330652     -1.255650      1.490872    0.00  -0.000005603  -0.000003094  -0.000015923
 H      1.333064     -2.737959      1.206258    0.00  -0.000007025   0.000001677  -0.000005602
 H      0.677454      0.739051     -1.483667    0.00  -0.000018150   0.000003687   0.000008286
 O     -1.034625      0.660340      1.250358    0.00  -0.000011529   0.000077562   0.000186911
 C      0.873474      2.639031      0.776065    0.00   0.000037236   0.000016903   0.000077801
 H      0.575928      2.841596      1.813405    0.00   0.000014998  -0.000001866   0.000003541
 H      1.701493      3.310840      0.527197    0.00   0.000000813  -0.000001886   0.000001065
 H      0.013635      2.916041      0.148087    0.00   0.000003660   0.000004171   0.000018394
 H     -2.462428     -0.230325      0.606818    0.00  -0.000003352   0.000006001  -0.000004840
 O      0.277452     -1.065904      1.159820    0.00  -0.000052662   0.000044974   0.000095620
 O     -1.936859     -0.017705     -1.753889    0.00   0.000506046  -0.000266500   0.000154898
 C     -3.021217     -0.341912     -1.319722    0.00   0.000350833  -0.000081045  -0.000025655
 H     -3.933100     -0.582695     -1.869514    0.00   0.000042546  -0.000006290  -0.000006718
 O     -3.261716     -0.465808      0.004285    0.00   0.000142573   0.000096968  -0.000133554
26
 Energy =      -0.318608376645
 C      1.842951     -1.646233     -0.634531    0.00  -0.000253351   0.000016067  -0.000095605
 C      2.517223     -0.338496     -1.058837    0.00  -0.000256901   0.000003954  -0.000155805
 C      1.602790      0.879605     -0.894249    0.00  -0.000210111   0.000022058  -0.000043216
 C      1.258271      1.173736      0.578208    0.00  -0.000042138   0.000008948  -0.000008633
 C      0.095585      0.293023      1.003049    0.00  -0.000032121   0.000037316   0.000079140
 C      1.543590     -1.706386      0.857693    0.00  -0.000093525   0.000008426  -0.000073130
 H      2.093550      1.767805     -1.339992    0.00  -0.000021679   0.000000346  -0.000006085
 H      3.458421     -0.190960     -0.494325    0.00  -0.000021401  -0.000002955  -0.000024049
 H      2.820531     -0.417397     -2.123596    0.00  -0.000032959   0.000001362  -0.000010484
 H      0.892867     -1.779033     -1.199668    0.00  -0.000021766   0.000006277   0.000003861
 H      2.480855     -2.506298     -0.919631    0.00  -0.000029417   0.000002986  -0.000013029
 H      2.141888      0.941195      1.225807    0.00  -0.000003696  -0.000002450  -0.000012448
 H      2.330057     -1.256516      1.485093    0.00  -0.000005590  -0.000002998  -0.000015951
 H      1.329789     -2.737682      1.203926    0.00  -0.000006938   0.000001656  -0.000005497
 H      0.666434      0.740825     -1.481527    0.00  -0.000018601   0.000003272   0.000008226
 O     -1.035096      0.662635      1.256027    0.00  -0.000012464   0.000074659   0.000191251
 C      0.874908      2.639733      0.779049    0.00   0.000032185   0.000016455   0.000072397
 H      0.582125      2.841701      1.817850    0.00   0.000014579  -0.000001718   0.000003161
 H      1.702920      3.310498      0.527332    0.00   0.000000251  -0.000001871   0.000000461
 H      0.012878      2.918708      0.154980    0.00   0.000003034   0.000003980   0.000017854
 H     -2.461920     -0.227041      0.608364    0.00  -0.000003353   0.000005781  -0.000004894
 O      0.275669     -1.064518      1.162751    0.00  -0.000052558   0.000043770   0.000097099
 O     -1.920308     -0.025102     -1.749799    0.00   0.000517144  -0.000256518   0.000163548
 C     -3.008196     -0.345345     -1.321402    0.00   0.000358976  -0.000077541  -0.000025103
 H     -3.916857     -0.586617     -1.876317    0.00   0.000043770  -0.000005909  -0.000006831
 O     -3.257752     -0.463102      0.001410    0.00   0.000148629   0.000094648  -0.000136239
