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     -0.214764      2.050295      0.519703    0.00  -0.000054569  -0.000029289  -0.000046826
 C     -1.462381      2.175210     -0.364225    0.00  -0.000002668  -0.000049443  -0.000073826
 C     -1.634081      0.937097     -1.252818    0.00   0.000028206  -0.000012789  -0.000020707
 C     -1.775049     -0.337784     -0.401974    0.00   0.000066272   0.000021303   0.000020671
 C     -0.545063     -0.464647      0.521979    0.00   0.000024401   0.000035186   0.000048561
 C     -0.245111      0.778826      1.372344    0.00  -0.000005874   0.000008997   0.000009265
 H     -2.519392      1.053189     -1.904747    0.00   0.000004855  -0.000003536  -0.000003090
 H     -2.361417      2.321699      0.264617    0.00   0.000002673  -0.000006320  -0.000010115
 H     -1.383965      3.081031     -0.995626    0.00  -0.000004418  -0.000006111  -0.000007903
 H      0.693533      2.043590     -0.117987    0.00  -0.000008464  -0.000000284   0.000000370
 H     -0.122393      2.936099      1.176533    0.00  -0.000007953  -0.000003503  -0.000007485
 H     -2.667893     -0.224487      0.267211    0.00   0.000008190   0.000000682  -0.000001059
 H     -1.015664      0.846085      2.167473    0.00   0.000003054   0.000000541  -0.000002981
 H      0.719034      0.641576      1.903212    0.00  -0.000002569   0.000003479   0.000004044
 H     -0.763197      0.833787     -1.932547    0.00  -0.000000524   0.000000891   0.000001585
 O     -0.664758     -1.556131      1.429399    0.00   0.000085016   0.000102243   0.000123406
 C     -1.977926     -1.570946     -1.278092    0.00   0.000089971   0.000050461   0.000055098
 H     -2.058626     -2.489989     -0.686098    0.00   0.000013215   0.000007318   0.000006255
 H     -2.890057     -1.487695     -1.880144    0.00   0.000009479   0.000001611   0.000000789
 H     -1.138428     -1.713112     -1.977990    0.00   0.000004233   0.000003904   0.000008684
 H     -1.155014     -2.310267      1.031933    0.00   0.000003517  -0.000011398  -0.000006887
 O      0.733261     -0.661924     -0.158261    0.00  -0.000044212   0.000104045   0.000093249
 O      0.724776     -1.916189     -0.820999    0.00  -0.000101957   0.000036175   0.000242781
 C      1.440559     -2.825691     -0.009623    0.00  -0.000030375  -0.000055758  -0.000162881
 H      1.827758     -2.399621      0.915104    0.00   0.000002780   0.000013929  -0.000038420
 O      1.505804     -3.942292     -0.456757    0.00  -0.000082279  -0.000212333  -0.000232580
26
 Energy =      -0.203738258145
 C     -0.218375      2.051573      0.520576    0.00  -0.000058207  -0.000030987  -0.000053158
 C     -1.466347      2.173424     -0.363282    0.00  -0.000001303  -0.000053184  -0.000078865
 C     -1.634523      0.935304     -1.252535    0.00   0.000032294  -0.000013003  -0.000021127
 C     -1.772271     -0.340201     -0.402121    0.00   0.000072074   0.000023121   0.000022644
 C     -0.541709     -0.464360      0.521357    0.00   0.000026743   0.000038021   0.000053572
 C     -0.244712      0.779409      1.372327    0.00  -0.000006148   0.000009143   0.000007647
 H     -2.519987      1.049285     -1.904624    0.00   0.000005507  -0.000003644  -0.000003068
 H     -2.365801      2.317054      0.265617    0.00   0.000003071  -0.000006890  -0.000010542
 H     -1.390480      3.079804     -0.994196    0.00  -0.000004302  -0.000006497  -0.000008579
 H      0.689932      2.048114     -0.117137    0.00  -0.000009188  -0.000000120  -0.000000038
 H     -0.128678      2.937175      1.178055    0.00  -0.000008482  -0.000003831  -0.000008484
 H     -2.665217     -0.229045      0.267310    0.00   0.000008902   0.000000811  -0.000000885
 H     -1.014904      0.844015      2.168003    0.00   0.000003384   0.000000375  -0.000003231
 H      0.720182      0.644507      1.902486    0.00  -0.000002926   0.000003548   0.000003983
 H     -0.763210      0.834589     -1.932111    0.00  -0.000000422   0.000001121   0.000001562
 O     -0.658233     -1.557113      1.428155    0.00   0.000098167   0.000108382   0.000137575
 C     -1.972686     -1.573576     -1.278496    0.00   0.000097602   0.000054372   0.000058452
 H     -2.049949     -2.493176     -0.686903    0.00   0.000013827   0.000007853   0.000006882
 H     -2.885737     -1.492668     -1.879469    0.00   0.000010378   0.000001976   0.000000918
 H     -1.133577     -1.713095     -1.979427    0.00   0.000004588   0.000004213   0.000008916
 H     -1.156297     -2.308139      1.034692    0.00   0.000003125  -0.000010813  -0.000006800
 O      0.737258     -0.658584     -0.158239    0.00  -0.000048925   0.000108824   0.000104317
 O      0.731291     -1.910779     -0.824461    0.00  -0.000104631   0.000049338   0.000256420
 C      1.431969     -2.826816     -0.007158    0.00  -0.000040992  -0.000060801  -0.000169671
 H      1.812267     -2.405212      0.922505    0.00   0.000002173   0.000009487  -0.000038011
 O      1.493388     -3.943181     -0.455478    0.00  -0.000096307  -0.000230815  -0.000260428
26
 Energy =      -0.203710392673
 C     -0.221997      2.052784      0.521554    0.00  -0.000061538  -0.000032398  -0.000060474
 C     -1.470213      2.171598     -0.362378    0.00   0.000000757  -0.000056933  -0.000083376
 C     -1.634852      0.933468     -1.252280    0.00   0.000037326  -0.000012936  -0.000021013
 C     -1.769492     -0.342623     -0.402271    0.00   0.000078217   0.000025020   0.000024597
 C     -0.538348     -0.464093      0.520717    0.00   0.000029376   0.000040891   0.000058828
 C     -0.244408      0.779915      1.372382    0.00  -0.000006315   0.000009044   0.000004859
 H     -2.520411      1.045365     -1.904598    0.00   0.000006262  -0.000003729  -0.000002940
 H     -2.370138      2.312437      0.266475    0.00   0.000003487  -0.000007525  -0.000010859
 H     -1.396778      3.078508     -0.992825    0.00  -0.000004045  -0.000006848  -0.000009184
 H      0.686385      2.052589     -0.116075    0.00  -0.000009890   0.000000156  -0.000000560
 H     -0.135053      2.938160      1.179717    0.00  -0.000009008  -0.000004161  -0.000009632
 H     -2.662529     -0.233536      0.267400    0.00   0.000009617   0.000000967  -0.000000670
 H     -1.014322      0.841845      2.168514    0.00   0.000003726   0.000000091  -0.000003569
 H      0.721165      0.647351      1.901937    0.00  -0.000003313   0.000003608   0.000003735
 H     -0.763072      0.835294     -1.931633    0.00  -0.000000209   0.000001423   0.000001537
 O     -0.651574     -1.558218      1.426763    0.00   0.000113884   0.000114364   0.000153759
 C     -1.967516     -1.576226     -1.278856    0.00   0.000105634   0.000058372   0.000061039
 H     -2.041448     -2.496339     -0.687628    0.00   0.000014463   0.000008436   0.000007424
 H     -2.881448     -1.497612     -1.878789    0.00   0.000011305   0.000002337   0.000000948
 H     -1.128790     -1.713205     -1.980778    0.00   0.000004994   0.000004493   0.000009075
 H     -1.157329     -2.306118      1.037324    0.00   0.000002779  -0.000010117  -0.000006539
 O      0.741220     -0.655155     -0.158371    0.00  -0.000054951   0.000113156   0.000117091
 O      0.737732     -1.905419     -0.827799    0.00  -0.000107967   0.000062916   0.000270531
 C      1.423583     -2.827690     -0.004829    0.00  -0.000053567  -0.000065101  -0.000175440
 H      1.797597     -2.410229      0.929275    0.00   0.000001366   0.000005213  -0.000037108
 O      1.480699     -3.943968     -0.453998    0.00  -0.000112390  -0.000250742  -0.000292060
26
 Energy =      -0.203680139656
 C     -0.225616      2.053911      0.522656    0.00  -0.000064438  -0.000033439  -0.000068892
 C     -1.473940      2.169730     -0.361533    0.00   0.000003656  -0.000060658  -0.000087168
 C     -1.635045      0.931582     -1.252061    0.00   0.000043463  -0.000012526  -0.000020252
 C     -1.766723     -0.345049     -0.402418    0.00   0.000084743   0.000026995   0.000026500
 C     -0.534989     -0.463856      0.520063    0.00   0.000032343   0.000043800   0.000064311
 C     -0.244225      0.780327      1.372527    0.00  -0.000006364   0.000008650   0.000000653
 H     -2.520625      1.041429     -1.904691    0.00   0.000007127  -0.000003789  -0.000002684
 H     -2.374401      2.307875      0.267148    0.00   0.000003914  -0.000008232  -0.000011052
 H     -1.402783      3.077131     -0.991541    0.00  -0.000003633  -0.000007158  -0.000009678
 H      0.682919      2.056984     -0.114759    0.00  -0.000010553   0.000000565  -0.000001209
 H     -0.141512      2.939035      1.181533    0.00  -0.000009518  -0.000004493  -0.000010937
 H     -2.659835     -0.237929      0.267485    0.00   0.000010327   0.000001148  -0.000000418
 H     -1.013972      0.839566      2.169002    0.00   0.000004070  -0.000000338  -0.000004023
 H      0.721940      0.650078      1.901618    0.00  -0.000003728   0.000003670   0.000003259
 H     -0.762746      0.835866     -1.931107    0.00   0.000000142   0.000001804   0.000001520
 O     -0.644770     -1.559474      1.425198    0.00   0.000132489   0.000120111   0.000172174
 C     -1.962452     -1.578903     -1.279151    0.00   0.000114139   0.000062482   0.000062723
 H     -2.033148     -2.499477     -0.688235    0.00   0.000015155   0.000009092   0.000007869
 H     -2.877238     -1.502537     -1.878064    0.00   0.000012271   0.000002686   0.000000838
 H     -1.124111     -1.713462     -1.982036    0.00   0.000005454   0.000004728   0.000009170
 H     -1.158075     -2.304241      1.039777    0.00   0.000002502  -0.000009287  -0.000006066
 O      0.745132     -0.651619     -0.158677    0.00  -0.000062509   0.000116946   0.000131717
 O      0.744074     -1.900099     -0.831023    0.00  -0.000112156   0.000076763   0.000285140
 C      1.415447     -2.828279     -0.002642    0.00  -0.000068356  -0.000068483  -0.000179872
 H      1.783891     -2.414603      0.935384    0.00   0.000000331   0.000001275  -0.000035658
 O      1.467720     -3.944627     -0.452288    0.00  -0.000130873  -0.000272314  -0.000327967
26
 Energy =      -0.203647278889
 C     -0.229219      2.054932      0.523895    0.00  -0.000066776  -0.000034031  -0.000078476
 C     -1.477491      2.167816     -0.360766    0.00   0.000007533  -0.000064313  -0.000090050
 C     -1.635076      0.929636     -1.251886    0.00   0.000050849  -0.000011727  -0.000018741
 C     -1.763972     -0.347476     -0.402559    0.00   0.000091703   0.000029058   0.000028328
 C     -0.531643     -0.463654      0.519398    0.00   0.000035663   0.000046756   0.000069958
 C     -0.244189      0.780628      1.372782    0.00  -0.000006260   0.000007905  -0.000005228
 H     -2.520596      1.037483     -1.904922    0.00   0.000008112  -0.000003822  -0.000002286
 H     -2.378565      2.303395      0.267594    0.00   0.000004343  -0.000009023  -0.000011106
 H     -1.408416      3.075660     -0.990373    0.00  -0.000003052  -0.000007418  -0.000010024
 H      0.679567      2.061262     -0.113151    0.00  -0.000011156   0.000001128  -0.000001995
 H     -0.148042      2.939781      1.183515    0.00  -0.000009997  -0.000004830  -0.000012410
 H     -2.657146     -0.242202      0.267563    0.00   0.000011027   0.000001352  -0.000000133
 H     -1.013903      0.837168      2.169458    0.00   0.000004411  -0.000000939  -0.000004616
 H      0.722461      0.652662      1.901578    0.00  -0.000004167   0.000003740   0.000002513
 H     -0.762201      0.836273     -1.930530    0.00   0.000000652   0.000002276   0.000001521
 O     -0.637812     -1.560904      1.423443    0.00   0.000154225   0.000125542   0.000192989
 C     -1.957519     -1.581612     -1.279361    0.00   0.000123220   0.000066732   0.000063425
 H     -2.025061     -2.502592     -0.688693    0.00   0.000015949   0.000009857   0.000008216
 H     -2.873152     -1.507461     -1.877251    0.00   0.000013285   0.000003012   0.000000537
 H     -1.119588     -1.713878     -1.983200    0.00   0.000005960   0.000004899   0.000009226
 H     -1.158494     -2.302545      1.042006    0.00   0.000002329  -0.000008299  -0.000005352
 O      0.748976     -0.647961     -0.159176    0.00  -0.000071802   0.000120109   0.000148309
 O      0.750290     -1.894813     -0.834142    0.00  -0.000117426   0.000090622   0.000300201
 C      1.407601     -2.828549     -0.000603    0.00  -0.000085543  -0.000070766  -0.000182586
 H      1.771291     -2.418278      0.940797    0.00  -0.000000957  -0.000002130  -0.000033614
 O      1.454441     -3.945135     -0.450320    0.00  -0.000152124  -0.000295692  -0.000368606
26
 Energy =      -0.203611554336
 C     -0.232788      2.055829      0.525280    0.00  -0.000068402  -0.000034090  -0.000089267
 C     -1.480827      2.165857     -0.360093    0.00   0.000012526  -0.000067836  -0.000091833
 C     -1.634925      0.927624     -1.251761    0.00   0.000059605  -0.000010491  -0.000016387
 C     -1.761252     -0.349902     -0.402691    0.00   0.000099158   0.000031198   0.000030059
 C     -0.528320     -0.463495      0.518727    0.00   0.000039347   0.000049782   0.000075688
 C     -0.244323      0.780800      1.373165    0.00  -0.000005984   0.000006756  -0.000013021
 H     -2.520296      1.033529     -1.905306    0.00   0.000009222  -0.000003825  -0.000001735
 H     -2.382600      2.299028      0.267777    0.00   0.000004766  -0.000009901  -0.000011006
 H     -1.413606      3.074091     -0.989348    0.00  -0.000002294  -0.000007618  -0.000010178
 H      0.676357      2.065383     -0.111224    0.00  -0.000011672   0.000001859  -0.000002926
 H     -0.154625      2.940380      1.185667    0.00  -0.000010429  -0.000005172  -0.000014049
 H     -2.654473     -0.246330      0.267636    0.00   0.000011713   0.000001568   0.000000175
 H     -1.014165      0.834648      2.169875    0.00   0.000004739  -0.000001736  -0.000005374
 H      0.722686      0.655074      1.901867    0.00  -0.000004623   0.000003834   0.000001453
 H     -0.761412      0.836486     -1.929898    0.00   0.000001346   0.000002845   0.000001550
 O     -0.630704     -1.562524      1.421482    0.00   0.000179230   0.000130598   0.000216283
 C     -1.952745     -1.584362     -1.279470    0.00   0.000132992   0.000071183   0.000063143
 H     -2.017173     -2.505690     -0.688975    0.00   0.000016908   0.000010780   0.000008483
 H     -2.869235     -1.512404     -1.876302    0.00   0.000014364   0.000003302  -0.000000017
 H     -1.115266     -1.714454     -1.984282    0.00   0.000006493   0.000004980   0.000009284
 H     -1.158546     -2.301069      1.043965    0.00   0.000002304  -0.000007132  -0.000004362
 O      0.752736     -0.644171     -0.159882    0.00  -0.000083010   0.000122540   0.000166884
 O      0.756347     -1.889558     -0.837165    0.00  -0.000124029   0.000104136   0.000315605
 C      1.400098     -2.828469      0.001280    0.00  -0.000105228  -0.000071772  -0.000183142
 H      1.759948     -2.421203      0.945479    0.00  -0.000002506  -0.000004779  -0.000030926
 O      1.440861     -3.945467     -0.448075    0.00  -0.000176537  -0.000321009  -0.000414384
26
 Energy =      -0.203572673813
 C     -0.236303      2.056584      0.526818    0.00  -0.000069146  -0.000033543  -0.000101257
 C     -1.483915      2.163854     -0.359529    0.00   0.000018766  -0.000071151  -0.000092321
 C     -1.634575      0.925542     -1.251692    0.00   0.000069844  -0.000008777  -0.000013140
 C     -1.758570     -0.352327     -0.402810    0.00   0.000107161   0.000033394   0.000031679
 C     -0.525035     -0.463382      0.518059    0.00   0.000043398   0.000052900   0.000081380
 C     -0.244645      0.780835      1.373690    0.00  -0.000005532   0.000005175  -0.000022959
 H     -2.519702      1.029577     -1.905853    0.00   0.000010461  -0.000003793  -0.000001021
 H     -2.386480      2.294803      0.267668    0.00   0.000005174  -0.000010865  -0.000010743
 H     -1.418288      3.072416     -0.988489    0.00  -0.000001350  -0.000007748  -0.000010099
 H      0.673322      2.069307     -0.108957    0.00  -0.000012074   0.000002776  -0.000004010
 H     -0.161236      2.940821      1.187989    0.00  -0.000010793  -0.000005521  -0.000015839
 H     -2.651830     -0.250298      0.267696    0.00   0.000012388   0.000001785   0.000000498
 H     -1.014798      0.832008      2.170245    0.00   0.000005039  -0.000002754  -0.000006322
 H      0.722582      0.657289      1.902525    0.00  -0.000005088   0.000003961   0.000000040
 H     -0.760359      0.836480     -1.929213    0.00   0.000002238   0.000003510   0.000001617
 O     -0.623454     -1.564342      1.419313    0.00   0.000207495   0.000135259   0.000242035
 C     -1.948142     -1.587156     -1.279466    0.00   0.000143606   0.000075925   0.000061984
 H     -2.009445     -2.508774     -0.689064    0.00   0.000018111   0.000011926   0.000008714
 H     -2.865532     -1.517396     -1.875163    0.00   0.000015538   0.000003540  -0.000000898
 H     -1.111184     -1.715171     -1.985307    0.00   0.000007018   0.000004939   0.000009401
 H     -1.158194     -2.299849      1.045612    0.00   0.000002480  -0.000005775  -0.000003064
 O      0.756392     -0.640245     -0.160801    0.00  -0.000096247   0.000124131   0.000187363
 O      0.762204     -1.884330     -0.840098    0.00  -0.000132261   0.000116818   0.000331161
 C      1.392986     -2.828020      0.002994    0.00  -0.000127420  -0.000071339  -0.000181023
 H      1.750012     -2.423336      0.949391    0.00  -0.000004308  -0.000006443  -0.000027526
 O      1.426988     -3.945601     -0.445537    0.00  -0.000204499  -0.000348331  -0.000465648
26
 Energy =      -0.203530310836
 C     -0.239742      2.057184      0.528507    0.00  -0.000068841  -0.000032312  -0.000114382
 C     -1.486723      2.161810     -0.359087    0.00   0.000026383  -0.000074163  -0.000091342
 C     -1.634017      0.923387     -1.251682    0.00   0.000081654  -0.000006550  -0.000008946
 C     -1.755937     -0.354749     -0.402917    0.00   0.000115801   0.000035632   0.000033183
 C     -0.521804     -0.463323      0.517402    0.00   0.000047788   0.000056168   0.000086861
 C     -0.245172      0.780722      1.374368    0.00  -0.000004878   0.000003113  -0.000035245
 H     -2.518804      1.025632     -1.906566    0.00   0.000011828  -0.000003724  -0.000000144
 H     -2.390177      2.290745      0.267245    0.00   0.000005562  -0.000011914  -0.000010301
 H     -1.422403      3.070631     -0.987817    0.00  -0.000000214  -0.000007797  -0.000009757
 H      0.670488      2.072993     -0.106342    0.00  -0.000012325   0.000003881  -0.000005244
 H     -0.167839      2.941093      1.190471    0.00  -0.000011075  -0.000005875  -0.000017764
 H     -2.649230     -0.254099      0.267740    0.00   0.000013060   0.000001981   0.000000827
 H     -1.015836      0.829252      2.170563    0.00   0.000005298  -0.000004011  -0.000007477
 H      0.722118      0.659287      1.903587    0.00  -0.000005557   0.000004131  -0.000001770
 H     -0.759032      0.836239     -1.928476    0.00   0.000003344   0.000004276   0.000001730
 O     -0.616081     -1.566361      1.416939    0.00   0.000238848   0.000139548   0.000270071
 C     -1.943716     -1.589996     -1.279348    0.00   0.000155239   0.000081075   0.000060170
 H     -2.001810     -2.511856     -0.688958    0.00   0.000019655   0.000013372   0.000008971
 H     -2.862083     -1.522477     -1.873782    0.00   0.000016833   0.000003705  -0.000002185
 H     -1.107383     -1.715995     -1.986316    0.00   0.000007490   0.000004738   0.000009664
 H     -1.157398     -2.298921      1.046910    0.00   0.000002923  -0.000004212  -0.000001422
 O      0.759923     -0.636185     -0.161933    0.00  -0.000111607   0.000124785   0.000209582
 O      0.767817     -1.879136     -0.842949    0.00  -0.000142450   0.000128037   0.000346539
 C      1.386312     -2.827182      0.004524    0.00  -0.000152039  -0.000069310  -0.000175597
 H      1.741624     -2.424655      0.952497    0.00  -0.000006336  -0.000006896  -0.000023331
 O      1.412838     -3.945520     -0.442696    0.00  -0.000236384  -0.000377679  -0.000522692
26
 Energy =      -0.203484107954
 C     -0.243086      2.057615      0.530344    0.00  -0.000067299  -0.000030335  -0.000128532
 C     -1.489224      2.159729     -0.358775    0.00   0.000035497  -0.000076761  -0.000088738
 C     -1.633243      0.921161     -1.251734    0.00   0.000095115  -0.000003773  -0.000003783
 C     -1.753359     -0.357166     -0.403013    0.00   0.000125169   0.000037870   0.000034580
 C     -0.518643     -0.463317      0.516770    0.00   0.000052477   0.000059635   0.000091920
 C     -0.245913      0.780457      1.375211    0.00  -0.000004044   0.000000567  -0.000050067
 H     -2.517597      1.021707     -1.907445    0.00   0.000013326  -0.000003610   0.000000896
 H     -2.393665      2.286878      0.266497    0.00   0.000005929  -0.000013036  -0.000009671
 H     -1.425910      3.068740     -0.987345    0.00   0.000001121  -0.000007752  -0.000009122
 H      0.667879      2.076405     -0.103379    0.00  -0.000012390   0.000005180  -0.000006631
 H     -0.174400      2.941189      1.193098    0.00  -0.000011253  -0.000006236  -0.000019793
 H     -2.646690     -0.257732      0.267755    0.00   0.000013741   0.000002132   0.000001159
 H     -1.017302      0.826394      2.170824    0.00   0.000005492  -0.000005524  -0.000008852
 H      0.721273      0.661051      1.905078    0.00  -0.000006022   0.000004353  -0.000004009
 H     -0.757427      0.835747     -1.927693    0.00   0.000004675   0.000005138   0.000001895
 O     -0.608613     -1.568571      1.414376    0.00   0.000272923   0.000143562   0.000300058
 C     -1.939462     -1.592883     -1.279115    0.00   0.000168089   0.000086776   0.000058060
 H     -1.994170     -2.514944     -0.688666    0.00   0.000021655   0.000015206   0.000009345
 H     -2.858923     -1.527692     -1.872099    0.00   0.000018290   0.000003776  -0.000003958
 H     -1.103890     -1.716876     -1.987363    0.00   0.000007849   0.000004335   0.000010174
 H     -1.156121     -2.298316      1.047832    0.00   0.000003719  -0.000002435   0.000000605
 O      0.763311     -0.632001     -0.163272    0.00  -0.000129089   0.000124395   0.000233217
 O      0.773140     -1.873978     -0.845724    0.00  -0.000154973   0.000137023   0.000361323
 C      1.380127     -2.825948      0.005851    0.00  -0.000178937  -0.000065521  -0.000166084
 H      1.734920     -2.425143      0.954755    0.00  -0.000008545  -0.000005915  -0.000018204
 O      1.398432     -3.945205     -0.439549    0.00  -0.000272512  -0.000409049  -0.000585791
26
 Energy =      -0.203433679869
 C     -0.246313      2.057871      0.532320    0.00  -0.000064326  -0.000027561  -0.000143547
 C     -1.491401      2.157614     -0.358598    0.00   0.000046229  -0.000078826  -0.000084397
 C     -1.632253      0.918863     -1.251845    0.00   0.000110311  -0.000000406   0.000002363
 C     -1.750843     -0.359580     -0.403096    0.00   0.000135387   0.000040050   0.000035901
 C     -0.515567     -0.463366      0.516175    0.00   0.000057425   0.000063371   0.000096283
 C     -0.246876      0.780039      1.376223    0.00  -0.000003065  -0.000002450  -0.000067576
 H     -2.516084      1.017807     -1.908481    0.00   0.000014958  -0.000003446   0.000002100
 H     -2.396922      2.283218      0.265422    0.00   0.000006281  -0.000014217  -0.000008844
 H     -1.428780      3.066741     -0.987081    0.00   0.000002660  -0.000007599  -0.000008175
 H      0.665514      2.079503     -0.100082    0.00  -0.000012231   0.000006665  -0.000008165
 H     -0.180876      2.941110      1.195847    0.00  -0.000011306  -0.000006599  -0.000021882
 H     -2.644221     -0.261207      0.267730    0.00   0.000014452   0.000002203   0.000001490
 H     -1.019212      0.823453      2.171025    0.00   0.000005601  -0.000007304  -0.000010455
 H      0.720032      0.662568      1.907016    0.00  -0.000006478   0.000004630  -0.000006709
 H     -0.755549      0.835001     -1.926869    0.00   0.000006238   0.000006096   0.000002115
 O     -0.601081     -1.570956      1.411650    0.00   0.000309134   0.000147487   0.000331434
 C     -1.935363     -1.595816     -1.278781    0.00   0.000182391   0.000093169   0.000056148
 H     -1.986406     -2.518049     -0.688210    0.00   0.000024219   0.000017507   0.000009943
 H     -2.856075     -1.533091     -1.870064    0.00   0.000019950   0.000003734  -0.000006278
 H     -1.100727     -1.717749     -1.988513    0.00   0.000008037   0.000003693   0.000011043
 H     -1.154320     -2.298065      1.048349    0.00   0.000004971  -0.000000446   0.000003076
 O      0.766538     -0.627706     -0.164803    0.00  -0.000148644   0.000122904   0.000257844
 O      0.778117     -1.868866     -0.848431    0.00  -0.000170267   0.000142849   0.000374955
 C      1.374476     -2.824318      0.006953    0.00  -0.000207924  -0.000059784  -0.000151445
 H      1.730031     -2.424802      0.956114    0.00  -0.000010879  -0.000003260  -0.000011952
 O      1.383796     -3.944647     -0.436097    0.00  -0.000313125  -0.000442460  -0.000655269
26
 Energy =      -0.203378613949
 C     -0.249402      2.057943      0.534420    0.00  -0.000059725  -0.000023960  -0.000159199
 C     -1.493239      2.155466     -0.358555    0.00   0.000058713  -0.000080233  -0.000078277
 C     -1.631050      0.916498     -1.252014    0.00   0.000127323   0.000003590   0.000009520
 C     -1.748390     -0.361994     -0.403172    0.00   0.000146636   0.000042135   0.000037204
 C     -0.512593     -0.463471      0.515634    0.00   0.000062522   0.000067472   0.000099597
 C     -0.248060      0.779472      1.377407    0.00  -0.000001954  -0.000005930  -0.000087889
 H     -2.514274      1.013943     -1.909664    0.00   0.000016722  -0.000003230   0.000003459
 H     -2.399929      2.279773      0.264029    0.00   0.000006636  -0.000015438  -0.000007811
 H     -1.431000      3.064639     -0.987026    0.00   0.000004411  -0.000007331  -0.000006928
 H      0.663410      2.082254     -0.096471    0.00  -0.000011798   0.000008317  -0.000009835
 H     -0.187222      2.940856      1.198691    0.00  -0.000011219  -0.000006959  -0.000023982
 H     -2.641839     -0.264542      0.267648    0.00   0.000015222   0.000002155   0.000001823
 H     -1.021568      0.820450      2.171161    0.00   0.000005602  -0.000009348  -0.000012280
 H      0.718391      0.663832      1.909409    0.00  -0.000006925   0.000004963  -0.000009897
 H     -0.753405      0.833999     -1.926009    0.00   0.000008043   0.000007156   0.000002399
 O     -0.593527     -1.573491      1.408797    0.00   0.000346629   0.000151550   0.000363374
 C     -1.931392     -1.598794     -1.278364    0.00   0.000198395   0.000100363   0.000055069
 H     -1.978392     -2.521183     -0.687625    0.00   0.000027443   0.000020341   0.000010876
 H     -2.853550     -1.538721     -1.867637    0.00   0.000021854   0.000003572  -0.000009176
 H     -1.097905     -1.718548     -1.989836    0.00   0.000008003   0.000002787   0.000012383
 H     -1.151948     -2.298199      1.048439    0.00   0.000006821   0.000001758   0.000006058
 O      0.769586     -0.623322     -0.166505    0.00  -0.000170098   0.000120311   0.000282854
 O      0.782696     -1.863809     -0.851073    0.00  -0.000188851   0.000144444   0.000386820
 C      1.369409     -2.822295      0.007798    0.00  -0.000238766  -0.000051844  -0.000130275
 H      1.727092     -2.423639      0.956513    0.00  -0.000013265   0.000001357  -0.000004295
 O      1.368958     -3.943837     -0.432344    0.00  -0.000358376  -0.000478000  -0.000731591
26
 Energy =      -0.203318465189
 C     -0.252333      2.057829      0.536628    0.00  -0.000053248  -0.000019539  -0.000175220
 C     -1.494733      2.153292     -0.358644    0.00   0.000073079  -0.000080883  -0.000070432
 C     -1.629640      0.914066     -1.252240    0.00   0.000146254   0.000008275   0.000017692
 C     -1.746001     -0.364412     -0.403246    0.00   0.000159078   0.000043985   0.000038601
 C     -0.509737     -0.463630      0.515164    0.00   0.000067780   0.000072013   0.000101477
 C     -0.249462      0.778764      1.378763    0.00  -0.000000766  -0.000009771  -0.000111023
 H     -2.512180      1.010120     -1.910982    0.00   0.000018633  -0.000002948   0.000004990
 H     -2.402669      2.276543      0.262335    0.00   0.000007029  -0.000016672  -0.000006590
 H     -1.432573      3.062437     -0.987174    0.00   0.000006374  -0.000006937  -0.000005396
 H      0.661577      2.084629     -0.092580    0.00  -0.000011054   0.000010110  -0.000011634
 H     -0.193393      2.940436      1.201595    0.00  -0.000010963  -0.000007313  -0.000026017
 H     -2.639560     -0.267759      0.267490    0.00   0.000016084   0.000001943   0.000002158
 H     -1.024366      0.817414      2.171237    0.00   0.000005469  -0.000011655  -0.000014320
 H      0.716353      0.664840      1.912256    0.00  -0.000007353   0.000005348  -0.000013578
 H     -0.751008      0.832747     -1.925120    0.00   0.000010088   0.000008315   0.000002745
 O     -0.586002     -1.576141      1.405863    0.00   0.000384221   0.000156064   0.000394684
 C     -1.927516     -1.601811     -1.277887    0.00   0.000216370   0.000108410   0.000055526
 H     -1.970006     -2.524357     -0.686959    0.00   0.000031373   0.000023719   0.000012282
 H     -2.851344     -1.544622     -1.864795    0.00   0.000024063   0.000003316  -0.000012620
 H     -1.095423     -1.719202     -1.991398    0.00   0.000007713   0.000001596   0.000014267
 H     -1.148949     -2.298753      1.048075    0.00   0.000009461   0.000004123   0.000009651
 O      0.772440     -0.618875     -0.168350    0.00  -0.000193195   0.000116888   0.000307465
 O      0.786817     -1.858815     -0.853663    0.00  -0.000211327   0.000140509   0.000396250
 C      1.364982     -2.819886      0.008346    0.00  -0.000271185  -0.000041341  -0.000100609
 H      1.726257     -2.421668      0.955866    0.00  -0.000015619   0.000008305   0.000005151
 O      1.353943     -3.942771     -0.428294    0.00  -0.000408358  -0.000515862  -0.000815501
26
 Energy =      -0.203252742076
 C     -0.255087      2.057527      0.538920    0.00  -0.000044651  -0.000014365  -0.000191214
 C     -1.495883      2.151088     -0.358854    0.00   0.000089480  -0.000080692  -0.000061074
 C     -1.628030      0.911575     -1.252514    0.00   0.000167186   0.000013678   0.000026946
 C     -1.743675     -0.366837     -0.403324    0.00   0.000172982   0.000045515   0.000040254
 C     -0.507015     -0.463845      0.514785    0.00   0.000073108   0.000077131   0.000101375
 C     -0.251072      0.777923      1.380287    0.00   0.000000546  -0.000013892  -0.000136912
 H     -2.509816      1.006346     -1.912421    0.00   0.000020686  -0.000002603   0.000006685
 H     -2.405128      2.273519      0.260370    0.00   0.000007519  -0.000017887  -0.000005197
 H     -1.433520      3.060145     -0.987509    0.00   0.000008539  -0.000006420  -0.000003655
 H      0.660021      2.086596     -0.088453    0.00  -0.000009944   0.000011988  -0.000013536
 H     -0.199336      2.939858      1.204520    0.00  -0.000010519  -0.000007651  -0.000027918
 H     -2.637394     -0.270888      0.267234    0.00   0.000017075   0.000001521   0.000002510
 H     -1.027586      0.814375      2.171253    0.00   0.000005187  -0.000014184  -0.000016533
 H      0.713930      0.665594      1.915543    0.00  -0.000007760   0.000005770  -0.000017746
 H     -0.748372      0.831256     -1.924206    0.00   0.000012373   0.000009594   0.000003167
 O     -0.578566     -1.578867      1.402906    0.00   0.000420310   0.000161264   0.000423729
 C     -1.923701     -1.604861     -1.277384    0.00   0.000236561   0.000117216   0.000058285
 H     -1.961155     -2.527573     -0.686267    0.00   0.000035975   0.000027602   0.000014282
 H     -2.849435     -1.550819     -1.861539    0.00   0.000026631   0.000003024  -0.000016509
 H     -1.093264     -1.719653     -1.993256    0.00   0.000007160   0.000000131   0.000016713
 H     -1.145251     -2.299766      1.047225    0.00   0.000013156   0.000006563   0.000013968
 O      0.775089     -0.614395     -0.170298    0.00  -0.000217459   0.000113028   0.000330657
 O      0.790425     -1.853897     -0.856206    0.00  -0.000238434   0.000129769   0.000402765
 C      1.361258     -2.817104      0.008544    0.00  -0.000304792  -0.000027791  -0.000059817
 H      1.727700     -2.418906      0.954063    0.00  -0.000017832   0.000018085   0.000016909
 O      1.338776     -3.941450     -0.423951    0.00  -0.000463083  -0.000556396  -0.000908135
26
 Energy =      -0.203180879761
 C     -0.257643      2.057039      0.541270    0.00  -0.000033637  -0.000008590  -0.000206753
 C     -1.496697      2.148857     -0.359176    0.00   0.000108052  -0.000079623  -0.000050604
 C     -1.626232      0.909030     -1.252837    0.00   0.000190182   0.000019810   0.000037323
 C     -1.741412     -0.369273     -0.403416    0.00   0.000188584   0.000046543   0.000042389
 C     -0.504447     -0.464115      0.514517    0.00   0.000078577   0.000082820   0.000098786
 C     -0.252873      0.776964      1.381971    0.00   0.000002066  -0.000018095  -0.000165275
 H     -2.507200      1.002627     -1.913967    0.00   0.000022898  -0.000002191   0.000008560
 H     -2.407301      2.270676      0.258177    0.00   0.000008187  -0.000019054  -0.000003683
 H     -1.433881      3.057770     -0.988006    0.00   0.000010889  -0.000005784  -0.000001793
 H      0.658742      2.088133     -0.084145    0.00  -0.000008425   0.000013882  -0.000015510
 H     -0.204995      2.939134      1.207422    0.00  -0.000009856  -0.000007968  -0.000029574
 H     -2.635351     -0.273958      0.266860    0.00   0.000018232   0.000000845   0.000002887
 H     -1.031193      0.811366      2.171217    0.00   0.000004759  -0.000016875  -0.000018872
 H      0.711149      0.666100      1.919242    0.00  -0.000008124   0.000006206  -0.000022343
 H     -0.745513      0.829546     -1.923272    0.00   0.000014880   0.000010996   0.000003670
 O     -0.571297     -1.581621      1.399995    0.00   0.000452801   0.000167371   0.000448270
 C     -1.919914     -1.607935     -1.276888    0.00   0.000259177   0.000126516   0.000064051
 H     -1.951790     -2.530832     -0.685610    0.00   0.000041102   0.000031852   0.000016999
 H     -2.847783     -1.557311     -1.857907    0.00   0.000029618   0.000002811  -0.000020648
 H     -1.091399     -1.719866     -1.995445    0.00   0.000006370  -0.000001581   0.000019636
 H     -1.140773     -2.301281      1.045845    0.00   0.000018267   0.000008832   0.000019154
 O      0.777526     -0.609923     -0.172303    0.00  -0.000242174   0.000109768   0.000351106
 O      0.793464     -1.849064     -0.858714    0.00  -0.000270985   0.000110788   0.000406086
 C      1.358323     -2.813962      0.008327    0.00  -0.000338925  -0.000010622  -0.000004373
 H      1.731631     -2.415374      0.950958    0.00  -0.000019737   0.000031287   0.000031706
 O      1.323483     -3.939879     -0.419312    0.00  -0.000522779  -0.000599943  -0.001011193
26
 Energy =      -0.203102195901
 C     -0.259984      2.056366      0.543643    0.00  -0.000019898  -0.000002442  -0.000221295
 C     -1.497195      2.146596     -0.359586    0.00   0.000128904  -0.000077717  -0.000039633
 C     -1.624259      0.906442     -1.253202    0.00   0.000215233   0.000026616   0.000048866
 C     -1.739208     -0.371723     -0.403535    0.00   0.000206138   0.000046876   0.000045295
 C     -0.502050     -0.464444      0.514380    0.00   0.000084283   0.000089071   0.000093079
 C     -0.254836      0.775900      1.383799    0.00   0.000004049  -0.000022153  -0.000195577
 H     -2.504355      0.998976     -1.915609    0.00   0.000025264  -0.000001716   0.000010618
 H     -2.409181      2.267979      0.255810    0.00   0.000009132  -0.000020127  -0.000002128
 H     -1.433719      3.055325     -0.988631    0.00   0.000013380  -0.000005049   0.000000045
 H      0.657735      2.089216     -0.079730    0.00  -0.000006458   0.000015690  -0.000017507
 H     -0.210313      2.938279      1.210251    0.00  -0.000008945  -0.000008251  -0.000030889
 H     -2.633442     -0.276994      0.266344    0.00   0.000019586  -0.000000118   0.000003311
 H     -1.035131      0.808425      2.171141    0.00   0.000004209  -0.000019632  -0.000021250
 H      0.708055      0.666367      1.923305    0.00  -0.000008421   0.000006622  -0.000027272
 H     -0.742452      0.827642     -1.922325    0.00   0.000017582   0.000012531   0.000004264
 O     -0.564293     -1.584347      1.397206    0.00   0.000479140   0.000174329   0.000465521
 C     -1.916131     -1.611022     -1.276441    0.00   0.000284302   0.000135822   0.000073359
 H     -1.941927     -2.534121     -0.685047    0.00   0.000046495   0.000036250   0.000020506
 H     -2.846337     -1.564067     -1.853970    0.00   0.000033062   0.000002814  -0.000024765
 H     -1.089789     -1.719828     -1.997975    0.00   0.000005407  -0.000003486   0.000022863
 H     -1.135430     -2.303345      1.043880    0.00   0.000025198   0.000010594   0.000025327
 O      0.779751     -0.605505     -0.174298    0.00  -0.000266300   0.000108568   0.000367184
 O      0.795889     -1.844328     -0.861198    0.00  -0.000309774   0.000082414   0.000406623
 C      1.356267     -2.810481      0.007613    0.00  -0.000372541   0.000010658   0.000069936
 H      1.738286     -2.411101      0.946371    0.00  -0.000021087   0.000048474   0.000050418
 O      1.308091     -3.938066     -0.414376    0.00  -0.000587941  -0.000646639  -0.001126898
26
 Energy =      -0.203015829559
 C     -0.262091      2.055515      0.546002    0.00  -0.000003150   0.000003758  -0.000234291
 C     -1.497398      2.144306     -0.360064    0.00   0.000152076  -0.000075073  -0.000028950
 C     -1.622132      0.903822     -1.253606    0.00   0.000242216   0.000033944   0.000061548
 C     -1.737063     -0.374185     -0.403692    0.00   0.000225822   0.000046288   0.000049289
 C     -0.499847     -0.464838      0.514390    0.00   0.000090484   0.000095672   0.000083696
 C     -0.256921      0.774747      1.385747    0.00   0.000006877  -0.000025742  -0.000226965
 H     -2.501311      0.995405     -1.917327    0.00   0.000027773  -0.000001184   0.000012847
 H     -2.410773      2.265386      0.253339    0.00   0.000010462  -0.000021064  -0.000000637
 H     -1.433118      3.052828     -0.989338    0.00   0.000015954  -0.000004248   0.000001699
 H      0.656988      2.089834     -0.075292    0.00  -0.000004028   0.000017307  -0.000019462
 H     -0.215228      2.937308      1.212951    0.00  -0.000007758  -0.000008483  -0.000031769
 H     -2.631673     -0.280016      0.265671    0.00   0.000021164  -0.000001383   0.000003804
 H     -1.039320      0.805588      2.171038    0.00   0.000003590  -0.000022320  -0.000023569
 H      0.704713      0.666403      1.927662    0.00  -0.000008601   0.000006977  -0.000032366
 H     -0.739219      0.825580     -1.921373    0.00   0.000020425   0.000014189   0.000004954
 O     -0.557674     -1.586988      1.394623    0.00   0.000496429   0.000181766   0.000472109
 C     -1.912345     -1.614101     -1.276080    0.00   0.000311815   0.000144416   0.000086452
 H     -1.931657     -2.537420     -0.684633    0.00   0.000051809   0.000040496   0.000024797
 H     -2.845033     -1.571014     -1.849838    0.00   0.000036953   0.000003165  -0.000028529
 H     -1.088385     -1.719557     -2.000822    0.00   0.000004379  -0.000005510   0.000026137
 H     -1.129147     -2.306001      1.041277    0.00   0.000034335   0.000011417   0.000032596
 O      0.781770     -0.601198     -0.176206    0.00  -0.000288442   0.000111463   0.000377061
 O      0.797671     -1.839697     -0.863673    0.00  -0.000355406   0.000043983   0.000405500
 C      1.355199     -2.806690      0.006310    0.00  -0.000403954   0.000036217   0.000167833
 H      1.747898     -2.406131      0.940100    0.00  -0.000021490   0.000069941   0.000074132
 O      1.292640     -3.936023     -0.409138    0.00  -0.000659733  -0.000695992  -0.001257915
26
 Energy =      -0.202920671281
 C     -0.263951      2.054495      0.548302    0.00   0.000016794   0.000009679  -0.000245235
 C     -1.497347      2.141992     -0.360581    0.00   0.000177488  -0.000071861  -0.000019445
 C     -1.619883      0.901193     -1.254046    0.00   0.000270831   0.000041542   0.000075207
 C     -1.734978     -0.376650     -0.403901    0.00   0.000247683   0.000044522   0.000054635
 C     -0.497856     -0.465302      0.514557    0.00   0.000097557   0.000102259   0.000070227
 C     -0.259078      0.773525      1.387782    0.00   0.000011133  -0.000028573  -0.000258286
 H     -2.498109      0.991935     -1.919106    0.00   0.000030397  -0.000000611   0.000015221
 H     -2.412083      2.262848      0.250841    0.00   0.000012263  -0.000021831   0.000000662
 H     -1.432180      3.050302     -0.990074    0.00   0.000018534  -0.000003422   0.000003003
 H      0.656480      2.089986     -0.070927    0.00  -0.000001144   0.000018623  -0.000021292
 H     -0.219681      2.936238      1.215473    0.00  -0.000006282  -0.000008646  -0.000032152
 H     -2.630048     -0.283032      0.264831    0.00   0.000022973  -0.000002941   0.000004386
 H     -1.043650      0.802888      2.170932    0.00   0.000002995  -0.000024764  -0.000025716
 H      0.701211      0.666224      1.932213    0.00  -0.000008598   0.000007233  -0.000037402
 H     -0.735853      0.823403     -1.920425    0.00   0.000023342   0.000015946   0.000005733
 O     -0.551575     -1.589485      1.392328    0.00   0.000501836   0.000188798   0.000464421
 C     -1.908566     -1.617152     -1.275838    0.00   0.000341305   0.000151404   0.000103152
 H     -1.921151     -2.540698     -0.684410    0.00   0.000056683   0.000044253   0.000029731
 H     -2.843810     -1.578049     -1.845648    0.00   0.000041206   0.000003925  -0.000031603
 H     -1.087134     -1.719106     -2.003932    0.00   0.000003437  -0.000007559   0.000029183
 H     -1.121885     -2.309269      1.037997    0.00   0.000045886   0.000010965   0.000041019
 O      0.783599     -0.597065     -0.177940    0.00  -0.000306900   0.000120846   0.000378946
 O      0.798814     -1.835182     -0.866156    0.00  -0.000408023  -0.000004273   0.000404784
 C      1.355215     -2.802628      0.004326    0.00  -0.000430800   0.000065505   0.000293733
 H      1.760652     -2.400540      0.931941    0.00  -0.000020382   0.000095333   0.000103999
 O      1.277187     -3.933765     -0.403589    0.00  -0.000740214  -0.000746352  -0.001406912
26
 Energy =      -0.202815312278
 C     -0.265551      2.053323      0.550499    0.00   0.000039960   0.000015015  -0.000253800
 C     -1.497085      2.139659     -0.361107    0.00   0.000204910  -0.000068273  -0.000011957
 C     -1.617548      0.898577     -1.254516    0.00   0.000300618   0.000049059   0.000089486
 C     -1.732960     -0.379107     -0.404172    0.00   0.000271603   0.000041383   0.000061477
 C     -0.496092     -0.465846      0.514882    0.00   0.000106022   0.000108250   0.000052591
 C     -0.261242      0.772251      1.389861    0.00   0.000017461  -0.000030347  -0.000288172
 H     -2.494803      0.988587     -1.920918    0.00   0.000033081  -0.000000012   0.000017674
 H     -2.413128      2.260323      0.248402    0.00   0.000014576  -0.000022395   0.000001642
 H     -1.431016      3.047777     -0.990787    0.00   0.000021037  -0.000002611   0.000003835
 H      0.656186      2.089694     -0.066734    0.00   0.000002135   0.000019564  -0.000022919
 H     -0.223629      2.935085      1.217770    0.00  -0.000004505  -0.000008722  -0.000032029
 H     -2.628564     -0.286039      0.263828    0.00   0.000025010  -0.000004743   0.000005067
 H     -1.047997      0.800352      2.170843    0.00   0.000002531  -0.000026798  -0.000027598
 H      0.697657      0.665846      1.936839    0.00  -0.000008320   0.000007361  -0.000042110
 H     -0.732406      0.821165     -1.919496    0.00   0.000026245   0.000017742   0.000006583
 O     -0.546137     -1.591784      1.390394    0.00   0.000493216   0.000193961   0.000439151
 C     -1.904826     -1.620144     -1.275742    0.00   0.000372043   0.000155855   0.000122823
 H     -1.910641     -2.543916     -0.684399    0.00   0.000060838   0.000047198   0.000035007
 H     -2.842615     -1.585034     -1.841553    0.00   0.000045632   0.000005035  -0.000033712
 H     -1.085990     -1.718543     -2.007220    0.00   0.000002757  -0.000009540   0.000031783
 H     -1.113666     -2.313133      1.034039    0.00   0.000059690   0.000009236   0.000050590
 O      0.785261     -0.593174     -0.179409    0.00  -0.000319916   0.000138996   0.000371401
 O      0.799356     -1.830789     -0.868662    0.00  -0.000467018  -0.000060880   0.000407478
 C      1.356380     -2.798354      0.001582    0.00  -0.000450265   0.000096877   0.000450488
 H      1.776614     -2.394440      0.921725    0.00  -0.000017066   0.000123368   0.000141034
 O      1.261810     -3.931311     -0.397730    0.00  -0.000832274  -0.000794578  -0.001575813
26
 Energy =      -0.202698056168
 C     -0.266895      2.052019      0.552558    0.00   0.000066150   0.000019573  -0.000259897
 C     -1.496662      2.137321     -0.361614    0.00   0.000233945  -0.000064477  -0.000007109
 C     -1.615172      0.896004     -1.255008    0.00   0.000330960   0.000056137   0.000103861
 C     -1.731018     -0.381539     -0.404513    0.00   0.000297306   0.000036816   0.000069723
 C     -0.494562     -0.466476      0.515356    0.00   0.000116368   0.000113017   0.000031098
 C     -0.263351      0.770938      1.391935    0.00   0.000026517  -0.000030935  -0.000315256
 H     -2.491457      0.985387     -1.922737    0.00   0.000035762   0.000000584   0.000020108
 H     -2.413933      2.257779      0.246095    0.00   0.000017384  -0.000022739   0.000002208
 H     -1.429735      3.045280     -0.991430    0.00   0.000023391  -0.000001855   0.000004119
 H      0.656074      2.089000     -0.062799    0.00   0.000005717   0.000020096  -0.000024277
 H     -0.227047      2.933868      1.219814    0.00  -0.000002442  -0.000008695  -0.000031456
 H     -2.627220     -0.289024      0.262678    0.00   0.000027249  -0.000006719   0.000005846
 H     -1.052229      0.797993      2.170791    0.00   0.000002318  -0.000028277  -0.000029156
 H      0.694163      0.665287      1.941411    0.00  -0.000007674   0.000007360  -0.000046243
 H     -0.728937      0.818914     -1.918600    0.00   0.000029057   0.000019507   0.000007472
 O     -0.541474     -1.593846      1.388873    0.00   0.000469734   0.000195355   0.000394115
 C     -1.901173     -1.623052     -1.275806    0.00   0.000403052   0.000156949   0.000144431
 H     -1.900385     -2.547038     -0.684605    0.00   0.000064144   0.000049099   0.000040194
 H     -2.841413     -1.591825     -1.837698    0.00   0.000049953   0.000006300  -0.000034699
 H     -1.084915     -1.717954     -2.010588    0.00   0.000002513  -0.000011357   0.000033842
 H     -1.104589     -2.317532      1.029467    0.00   0.000075175   0.000006707   0.000061187
 O      0.786788     -0.589587     -0.180538    0.00  -0.000325919   0.000167507   0.000353749
 O      0.799375     -1.826523     -0.871210    0.00  -0.000531001  -0.000123202   0.000417181
 C      1.358702     -2.793936     -0.001972    0.00  -0.000459815   0.000127631   0.000638222
 H      1.795674     -2.387986      0.909365    0.00  -0.000010874   0.000151917   0.000185750
 O      1.246605     -3.928679     -0.391565    0.00  -0.000938971  -0.000836300  -0.001765013
26
 Energy =      -0.202567026102
 C     -0.267993      2.050609      0.554453    0.00   0.000094930   0.000023294  -0.000263691
 C     -1.496125      2.134991     -0.362079    0.00   0.000264060  -0.000060594  -0.000005201
 C     -1.612803      0.893496     -1.255514    0.00   0.000361222   0.000062485   0.000117684
 C     -1.729158     -0.383929     -0.404923    0.00   0.000324336   0.000030849   0.000079082
 C     -0.493263     -0.467198      0.515955    0.00   0.000129071   0.000116033   0.000006526
 C     -0.265345      0.769604      1.393960    0.00   0.000038824  -0.000030376  -0.000338459
 H     -2.488133      0.982350     -1.924529    0.00   0.000038365   0.000001163   0.000022427
 H     -2.414526      2.255200      0.243979    0.00   0.000020605  -0.000022865   0.000002319
 H     -1.428431      3.042839     -0.991968    0.00   0.000025561  -0.000001174   0.000003860
 H      0.656108      2.087965     -0.059183    0.00   0.000009482   0.000020236  -0.000025333
 H     -0.229945      2.932599      1.221599    0.00  -0.000000115  -0.000008562  -0.000030542
 H     -2.626001     -0.291966      0.261412    0.00   0.000029646  -0.000008773   0.000006689
 H     -1.056229      0.795810      2.170794    0.00   0.000002456  -0.000029119  -0.000030368
 H      0.690832      0.664570      1.945813    0.00  -0.000006587   0.000007244  -0.000049600
 H     -0.725511      0.816700     -1.917752    0.00   0.000031705   0.000021165   0.000008358
 O     -0.537661     -1.595651      1.387786    0.00   0.000432194   0.000191252   0.000328907
 C     -1.897657     -1.625850     -1.276027    0.00   0.000433253   0.000154185   0.000166721
 H     -1.890621     -2.550033     -0.685012    0.00   0.000066610   0.000049828   0.000044869
 H     -2.840190     -1.598292     -1.834198    0.00   0.000053888   0.000007483  -0.000034549
 H     -1.083878     -1.717414     -2.013938    0.00   0.000002831  -0.000012957   0.000035358
 H     -1.094819     -2.322364      1.024401    0.00   0.000091474   0.000004133   0.000072541
 O      0.788211     -0.586346     -0.181273    0.00  -0.000323833   0.000206888   0.000326146
 O      0.798985     -1.822384     -0.873819    0.00  -0.000598032  -0.000188009   0.000437625
 C      1.362121     -2.789453     -0.006337    0.00  -0.000458068   0.000154427   0.000853711
 H      1.817528     -2.381355      0.894876    0.00  -0.000001394   0.000178545   0.000237849
 O      1.231671     -3.925885     -0.385108    0.00  -0.001062484  -0.000866782  -0.001972928
26
 Energy =      -0.202420352561
 C     -0.268866      2.049119      0.556173    0.00   0.000125721   0.000026203  -0.000265552
 C     -1.495517      2.132685     -0.362486    0.00   0.000294668  -0.000056684  -0.000006190
 C     -1.610479      0.891071     -1.256023    0.00   0.000390803   0.000067937   0.000130356
 C     -1.727387     -0.386262     -0.405396    0.00   0.000352233   0.000023741   0.000089099
 C     -0.492178     -0.468013      0.516651    0.00   0.000144446   0.000116960  -0.000020132
 C     -0.267183      0.768253      1.395898    0.00   0.000054658  -0.000028854  -0.000357110
 H     -2.484888      0.979490     -1.926268    0.00   0.000040831   0.000001702   0.000024528
 H     -2.414942      2.252584      0.242090    0.00   0.000024120  -0.000022782   0.000001994
 H     -1.427171      3.040473     -0.992381    0.00   0.000027529  -0.000000573   0.000003113
 H      0.656255      2.086660     -0.055914    0.00   0.000013307   0.000020037  -0.000026089
 H     -0.232352      2.931291      1.223134    0.00   0.000002436  -0.000008333  -0.000029420
 H     -2.624897     -0.294848      0.260061    0.00   0.000032149  -0.000010804   0.000007564
 H     -1.059914      0.793787      2.170860    0.00   0.000003015  -0.000029317  -0.000031247
 H      0.687740      0.663714      1.949953    0.00  -0.000005016   0.000007036  -0.000052075
 H     -0.722179      0.814555     -1.916961    0.00   0.000034147   0.000022659   0.000009203
 O     -0.534712     -1.597199      1.387127    0.00   0.000382789   0.000180521   0.000245064
 C     -1.894322     -1.628523     -1.276396    0.00   0.000461689   0.000147390   0.000188502
 H     -1.881532     -2.552885     -0.685594    0.00   0.000068328   0.000049383   0.000048690
 H     -2.838945     -1.604339     -1.831125    0.00   0.000057193   0.000008362  -0.000033363
 H     -1.082866     -1.716985     -2.017193    0.00   0.000003755  -0.000014304   0.000036404
 H     -1.084556     -2.327501      1.019006    0.00   0.000107710   0.000002294   0.000084220
 O      0.789563     -0.583475     -0.181597    0.00  -0.000313193   0.000256495   0.000289569
 O      0.798308     -1.818364     -0.876508    0.00  -0.000666102  -0.000252269   0.000471958
 C      1.366507     -2.784979     -0.011477    0.00  -0.000445210   0.000174054   0.001090919
 H      1.841721     -2.374734      0.878369    0.00   0.000011384   0.000201178   0.000296167
 O      1.217090     -3.922940     -0.378378    0.00  -0.001203387  -0.000882032  -0.002196172
26
 Energy =      -0.202256375944
 C     -0.269540      2.047570      0.557721    0.00   0.000157887   0.000028375  -0.000265943
 C     -1.494869      2.130414     -0.362828    0.00   0.000325164  -0.000052775  -0.000009750
 C     -1.608227      0.888739     -1.256526    0.00   0.000419232   0.000072472   0.000141394
 C     -1.725707     -0.388534     -0.405924    0.00   0.000380496   0.000015772   0.000099309
 C     -0.491285     -0.468922      0.517415    0.00   0.000162705   0.000115714  -0.000047824
 C     -0.268839      0.766894      1.397723    0.00   0.000074015  -0.000026642  -0.000370992
 H     -2.481760      0.976803     -1.927932    0.00   0.000043122   0.000002200   0.000026351
 H     -2.415211      2.249940      0.240436    0.00   0.000027797  -0.000022515   0.000001291
 H     -1.425993      3.038193     -0.992665    0.00   0.000029308  -0.000000046   0.000001981
 H      0.656486      2.085152     -0.052992    0.00   0.000017073   0.000019571  -0.000026573
 H     -0.234325      2.929951      1.224448    0.00   0.000005175  -0.000008023  -0.000028208
 H     -2.623888     -0.297659      0.258664    0.00   0.000034705  -0.000012720   0.000008417
 H     -1.063234      0.791900      2.170991    0.00   0.000004028  -0.000028938  -0.000031825
 H      0.684934      0.662737      1.953778    0.00  -0.000002966   0.000006755  -0.000053649
 H     -0.718978      0.812498     -1.916230    0.00   0.000036358   0.000023945   0.000009971
 O     -0.532594     -1.598510      1.386860    0.00   0.000324540   0.000162996   0.000145574
 C     -1.891198     -1.631064     -1.276893    0.00   0.000487616   0.000136742   0.000208801
 H     -1.873220     -2.555586     -0.686321    0.00   0.000069413   0.000047832   0.000051495
 H     -2.837690     -1.609914     -1.828503    0.00   0.000059731   0.000008815  -0.000031309
 H     -1.081869     -1.716704     -2.020295    0.00   0.000005253  -0.000015408   0.000037049
 H     -1.073997     -2.332821      1.013450    0.00   0.000123196   0.000001679   0.000095720
 O      0.790870     -0.580974     -0.181515    0.00  -0.000294037   0.000314876   0.000245406
 O      0.797468     -1.814445     -0.879296    0.00  -0.000733506  -0.000313732   0.000522344
 C      1.371695     -2.780575     -0.017320    0.00  -0.000422758   0.000183960   0.001342304
 H      1.867732     -2.368282      0.860028    0.00   0.000027095   0.000218484   0.000358924
 O      1.202918     -3.919846     -0.371390    0.00  -0.001360640  -0.000879389  -0.002430258
26
 Energy =      -0.202073792925
 C     -0.270045      2.045980      0.559112    0.00   0.000190791   0.000029885  -0.000265264
 C     -1.494205      2.128184     -0.363104    0.00   0.000355006  -0.000048886  -0.000015422
 C     -1.606068      0.886502     -1.257018    0.00   0.000446151   0.000076159   0.000150541
 C     -1.724113     -0.390741     -0.406494    0.00   0.000408711   0.000007356   0.000109274
 C     -0.490556     -0.469921      0.518222    0.00   0.000183783   0.000112396  -0.000075616
 C     -0.270306      0.765524      1.399425    0.00   0.000096713  -0.000024107  -0.000380260
 H     -2.478775      0.974280     -1.929508    0.00   0.000045212   0.000002651   0.000027848
 H     -2.415362      2.247279      0.239013    0.00   0.000031509  -0.000022095   0.000000306
 H     -1.424918      3.035998     -0.992826    0.00   0.000030919   0.000000420   0.000000565
 H      0.656777      2.083502     -0.050397    0.00   0.000020703   0.000018906  -0.000026824
 H     -0.235924      2.928583      1.225573    0.00   0.000008047  -0.000007651  -0.000027021
 H     -2.622957     -0.300390      0.257248    0.00   0.000037261  -0.000014459   0.000009223
 H     -1.066180      0.790121      2.171181    0.00   0.000005492  -0.000028065  -0.000032130
 H      0.682432      0.661658      1.957265    0.00  -0.000000487   0.000006414  -0.000054379
 H     -0.715930      0.810539     -1.915560    0.00   0.000038336   0.000025015   0.000010641
 O     -0.531236     -1.599613      1.386944    0.00   0.000260680   0.000139228   0.000034141
 C     -1.888297     -1.633476     -1.277498    0.00   0.000510564   0.000122620   0.000226985
 H     -1.865721     -2.558142     -0.687162    0.00   0.000069956   0.000045307   0.000053249
 H     -2.836437     -1.615001     -1.826325    0.00   0.000061443   0.000008808  -0.000028578
 H     -1.080889     -1.716587     -2.023216    0.00   0.000007234  -0.000016291   0.000037358
 H     -1.063308     -2.338222      1.007890    0.00   0.000137517   0.000002501   0.000106578
 O      0.792155     -0.578827     -0.181057    0.00  -0.000266643   0.000380227   0.000194947
 O      0.796567     -1.810609     -0.882196    0.00  -0.000798989  -0.000371187   0.000589886
 C      1.377511     -2.776284     -0.023785    0.00  -0.000392876   0.000182545   0.001600195
 H      1.895043     -2.362133      0.840061    0.00   0.000045142   0.000229901   0.000424142
 O      1.189177     -3.916599     -0.364159    0.00  -0.001532172  -0.000857596  -0.002670383
26
 Energy =      -0.201871715742
 C     -0.270409      2.044363      0.560359    0.00   0.000223871   0.000030782  -0.000263871
 C     -1.493541      2.125998     -0.363315    0.00   0.000383715  -0.000045039  -0.000022689
 C     -1.604007      0.884355     -1.257490    0.00   0.000471304   0.000079113   0.000157690
 C     -1.722600     -0.392887     -0.407095    0.00   0.000436479  -0.000001188   0.000118697
 C     -0.489962     -0.471009      0.519047    0.00   0.000207577   0.000107209  -0.000102824
 C     -0.271587      0.764143      1.400998    0.00   0.000122345  -0.000021531  -0.000385259
 H     -2.475939      0.971908     -1.930989    0.00   0.000047098   0.000003057   0.000029008
 H     -2.415421      2.244616      0.237801    0.00   0.000035149  -0.000021552  -0.000000879
 H     -1.423949      3.033889     -0.992875    0.00   0.000032380   0.000000840  -0.000001030
 H      0.657110      2.081756     -0.048096    0.00   0.000024132   0.000018099  -0.000026885
 H     -0.237209      2.927190      1.226546    0.00   0.000011012  -0.000007237  -0.000025923
 H     -2.622088     -0.303041      0.255839    0.00   0.000039772  -0.000015971   0.000009952
 H     -1.068758      0.788422      2.171424    0.00   0.000007376  -0.000026815  -0.000032200
 H      0.680230      0.660490      1.960413    0.00   0.000002356   0.000006019  -0.000054353
 H     -0.713041      0.808677     -1.914946    0.00   0.000040082   0.000025867   0.000011199
 O     -0.530551     -1.600545      1.387326    0.00   0.000194108   0.000110252  -0.000085541
 C     -1.885622     -1.635764     -1.278190    0.00   0.000530273   0.000105545   0.000242713
 H     -1.859021     -2.560562     -0.688093    0.00   0.000070032   0.000041950   0.000054026
 H     -2.835200     -1.619613     -1.824561    0.00   0.000062347   0.000008371  -0.000025344
 H     -1.079925     -1.716638     -2.025944    0.00   0.000009583  -0.000016985   0.000037373
 H     -1.052614     -2.343625      1.002442    0.00   0.000150496   0.000004717   0.000116435
 O      0.793431     -0.577014     -0.180258    0.00  -0.000231434   0.000450697   0.000139415
 O      0.795685     -1.806834     -0.885225    0.00  -0.000861759  -0.000424194   0.000674433
 C      1.383788     -2.772134     -0.030787    0.00  -0.000357733   0.000169122   0.001857906
 H      1.923199     -2.356379      0.818673    0.00   0.000064887   0.000235420   0.000489962
 O      1.175870     -3.913191     -0.356697    0.00  -0.001715447  -0.000816548  -0.002912012
26
 Energy =      -0.201649657719
 C     -0.270656      2.042726      0.561482    0.00   0.000256636   0.000031096  -0.000262012
 C     -1.492886      2.123859     -0.363468    0.00   0.000410884  -0.000041267  -0.000031055
 C     -1.602044      0.882294     -1.257940    0.00   0.000494500   0.000081453   0.000162884
 C     -1.721162     -0.394975     -0.407717    0.00   0.000463457  -0.000009583   0.000127391
 C     -0.489478     -0.472181      0.519877    0.00   0.000233872   0.000100400  -0.000128992
 C     -0.272692      0.762749      1.402444    0.00   0.000150405  -0.000019179  -0.000386443
 H     -2.473255      0.969668     -1.932375    0.00   0.000048773   0.000003421   0.000029841
 H     -2.415406      2.241960      0.236777    0.00   0.000038635  -0.000020913  -0.000002184
 H     -1.423079      3.031859     -0.992828    0.00   0.000033705   0.000001224  -0.000002719
 H      0.657470      2.079952     -0.046056    0.00   0.000027317   0.000017196  -0.000026793
 H     -0.238234      2.925771      1.227395    0.00   0.000014027  -0.000006797  -0.000024954
 H     -2.621267     -0.305613      0.254454    0.00   0.000042199  -0.000017230   0.000010589
 H     -1.070992      0.786777      2.171711    0.00   0.000009632  -0.000025288  -0.000032066
 H      0.678314      0.659246      1.963239    0.00   0.000005483   0.000005573  -0.000053671
 H     -0.710312      0.806907     -1.914384    0.00   0.000041599   0.000026511   0.000011647
 O     -0.530454     -1.601337      1.387962    0.00   0.000127195   0.000077225  -0.000210203
 C     -1.883164     -1.637938     -1.278953    0.00   0.000546640   0.000086082   0.000255869
 H     -1.853076     -2.562861     -0.689095    0.00   0.000069694   0.000037908   0.000053940
 H     -2.833991     -1.623776     -1.823173    0.00   0.000062500   0.000007568  -0.000021754
 H     -1.078979     -1.716846     -2.028482    0.00   0.000012191  -0.000017521   0.000037125
 H     -1.042001     -2.348977      0.997199    0.00   0.000162108   0.000008161   0.000125072
 O      0.794713     -0.575508     -0.179153    0.00  -0.000188819   0.000524620   0.000079731
 O      0.794879     -1.803100     -0.888397    0.00  -0.000921350  -0.000472813   0.000774982
 C      1.390387     -2.768142     -0.038249    0.00  -0.000319143   0.000143724   0.002110104
 H      1.951826     -2.351085      0.796052    0.00   0.000085761   0.000235362   0.000554845
 O      1.162984     -3.909612     -0.349015    0.00  -0.001907901  -0.000756933  -0.003151175
26
 Energy =      -0.201407477541
 C     -0.270808      2.041077      0.562499    0.00   0.000288643   0.000030839  -0.000259835
 C     -1.492244      2.121767     -0.363569    0.00   0.000436184  -0.000037614  -0.000040088
 C     -1.600177      0.880310     -1.258366    0.00   0.000515579   0.000083284   0.000166249
 C     -1.719789     -0.397012     -0.408354    0.00   0.000489324  -0.000017595   0.000135232
 C     -0.489084     -0.473434      0.520701    0.00   0.000262281   0.000092238  -0.000153816
 C     -0.273636      0.761339      1.403770    0.00   0.000180384  -0.000017284  -0.000384279
 H     -2.470717      0.967546     -1.933666    0.00   0.000050242   0.000003747   0.000030360
 H     -2.415335      2.239324      0.235919    0.00   0.000041899  -0.000020210  -0.000003538
 H     -1.422300      3.029901     -0.992698    0.00   0.000034902   0.000001578  -0.000004432
 H      0.657846      2.078114     -0.044241    0.00   0.000030247   0.000016229  -0.000026576
 H     -0.239046      2.924329      1.228147    0.00   0.000017045  -0.000006343  -0.000024141
 H     -2.620481     -0.308109      0.253105    0.00   0.000044509  -0.000018230   0.000011134
 H     -1.072910      0.785166      2.172033    0.00   0.000012199  -0.000023578  -0.000031751
 H      0.676662      0.657935      1.965763    0.00   0.000008808   0.000005077  -0.000052447
 H     -0.707735      0.805221     -1.913868    0.00   0.000042896   0.000026964   0.000011984
 O     -0.530859     -1.602020      1.388810    0.00   0.000061727   0.000041218  -0.000337112
 C     -1.880912     -1.640007     -1.279771    0.00   0.000559680   0.000064785   0.000266499
 H     -1.847833     -2.565052     -0.690151    0.00   0.000068983   0.000033327   0.000053116
 H     -2.832816     -1.627523     -1.822120    0.00   0.000061975   0.000006470  -0.000017932
 H     -1.078053     -1.717201     -2.030839    0.00   0.000014952  -0.000017923   0.000036644
 H     -1.031522     -2.354248      0.992216    0.00   0.000172417   0.000012642   0.000132387
 O      0.796008     -0.574286     -0.177777    0.00  -0.000139109   0.000600608   0.000016446
 O      0.794187     -1.799393     -0.891718    0.00  -0.000977475  -0.000517428   0.000890000
 C      1.397190     -2.764316     -0.046102    0.00  -0.000278406   0.000106899   0.002352787
 H      1.980624     -2.346296      0.772364    0.00   0.000107294   0.000230226   0.000617620
 O      1.150497     -3.905851     -0.341119    0.00  -0.002107178  -0.000679925  -0.003384513
26
 Energy =      -0.201145311056
 C     -0.270882      2.039420      0.563421    0.00   0.000319533   0.000030020  -0.000257447
 C     -1.491621      2.119720     -0.363623    0.00   0.000459336  -0.000034125  -0.000049419
 C     -1.598402      0.878396     -1.258767    0.00   0.000534420   0.000084685   0.000167950
 C     -1.718475     -0.399000     -0.408999    0.00   0.000513786  -0.000025097   0.000142197
 C     -0.488760     -0.474764      0.521510    0.00   0.000292465   0.000082944  -0.000177157
 C     -0.274432      0.759912      1.404981    0.00   0.000211683  -0.000015978  -0.000379218
 H     -2.468319      0.965526     -1.934866    0.00   0.000051505   0.000004038   0.000030594
 H     -2.415219      2.236716      0.235203    0.00   0.000044895  -0.000019462  -0.000004894
 H     -1.421601      3.028010     -0.992498    0.00   0.000035971   0.000001910  -0.000006111
 H      0.658234      2.076263     -0.042622    0.00   0.000032899   0.000015219  -0.000026261
 H     -0.239683      2.922862      1.228824    0.00   0.000020036  -0.000005889  -0.000023482
 H     -2.619721     -0.310536      0.251800    0.00   0.000046673  -0.000018977   0.000011585
 H     -1.074545      0.783574      2.172382    0.00   0.000015011  -0.000021765  -0.000031282
 H      0.675250      0.656568      1.968009    0.00   0.000012257   0.000004535  -0.000050770
 H     -0.705301      0.803613     -1.913394    0.00   0.000043973   0.000027237   0.000012220
 O     -0.531697     -1.602621      1.389836    0.00  -0.000001059   0.000003174  -0.000464096
 C     -1.878852     -1.641980     -1.280632    0.00   0.000569465   0.000042189   0.000274720
 H     -1.843230     -2.567145     -0.691250    0.00   0.000067933   0.000028335   0.000051678
 H     -2.831680     -1.630890     -1.821362    0.00   0.000060858   0.000005148  -0.000013970
 H     -1.077150     -1.717689     -2.033025    0.00   0.000017787  -0.000018205   0.000035953
 H     -1.021211     -2.359418      0.987536    0.00   0.000181513   0.000017947   0.000138364
 O      0.797320     -0.573331     -0.176160    0.00  -0.000082647   0.000677440  -0.000049958
 O      0.793636     -1.795695     -0.895196    0.00  -0.001030004  -0.000558405   0.001017423
 C      1.404107     -2.760662     -0.054291    0.00  -0.000236364   0.000059531   0.002583198
 H      2.009366     -2.342038      0.747742    0.00   0.000129165   0.000220576   0.000677454
 O      1.138388     -3.901898     -0.333019    0.00  -0.002311089  -0.000587026  -0.003609271
26
 Energy =      -0.200863508218
 C     -0.270892      2.037761      0.564262    0.00   0.000348984   0.000028644  -0.000254893
 C     -1.491018      2.117718     -0.363638    0.00   0.000480126  -0.000030840  -0.000058745
 C     -1.596712      0.876547     -1.259142    0.00   0.000550917   0.000085703   0.000168170
 C     -1.717214     -0.400944     -0.409645    0.00   0.000536579  -0.000031990   0.000148277
 C     -0.488493     -0.476168      0.522299    0.00   0.000323973   0.000072725  -0.000198945
 C     -0.275096      0.758468      1.406083    0.00   0.000243755  -0.000015381  -0.000371683
 H     -2.466051      0.963597     -1.935981    0.00   0.000052563   0.000004294   0.000030569
 H     -2.415067      2.234141      0.234611    0.00   0.000047589  -0.000018687  -0.000006210
 H     -1.420972      3.026179     -0.992241    0.00   0.000036911   0.000002220  -0.000007718
 H      0.658625      2.074412     -0.041173    0.00   0.000035271   0.000014185  -0.000025865
 H     -0.240177      2.921373      1.229443    0.00   0.000022963  -0.000005442  -0.000022973
 H     -2.618980     -0.312893      0.250545    0.00   0.000048664  -0.000019482   0.000011947
 H     -1.075923      0.781990      2.172751    0.00   0.000018002  -0.000019910  -0.000030679
 H      0.674056      0.655151      1.970004    0.00   0.000015757   0.000003947  -0.000048731
 H     -0.703002      0.802076     -1.912957    0.00   0.000044837   0.000027346   0.000012363
 O     -0.532902     -1.603159      1.391010    0.00  -0.000060349  -0.000036149  -0.000589434
 C     -1.876968     -1.643865     -1.281528    0.00   0.000576122   0.000018780   0.000280702
 H     -1.839209     -2.569151     -0.692381    0.00   0.000066575   0.000023055   0.000049736
 H     -2.830589     -1.633908     -1.820864    0.00   0.000059232   0.000003664  -0.000009940
 H     -1.076270     -1.718293     -2.035054    0.00   0.000020626  -0.000018376   0.000035077
 H     -1.011084     -2.364475      0.983178    0.00   0.000189496   0.000023890   0.000143043
 O      0.798651     -0.572624     -0.174327    0.00  -0.000019745   0.000754118  -0.000119188
 O      0.793240     -1.791999     -0.898833    0.00  -0.001078851  -0.000596089   0.001155056
 C      1.411065     -2.757181     -0.062768    0.00  -0.000193485   0.000002682   0.002799456
 H      2.037876     -2.338331      0.722305    0.00   0.000151152   0.000206987   0.000733795
 O      1.126634     -3.897745     -0.324722    0.00  -0.002517662  -0.000479895  -0.003823186
26
 Energy =      -0.200562580707
 C     -0.270852      2.036100      0.565033    0.00   0.000376724   0.000026727  -0.000252191
 C     -1.490435      2.115763     -0.363619    0.00   0.000498391  -0.000027801  -0.000067828
 C     -1.595103      0.874759     -1.259493    0.00   0.000564985   0.000086371   0.000167097
 C     -1.715999     -0.402847     -0.410290    0.00   0.000557462  -0.000038237   0.000153485
 C     -0.488271     -0.477641      0.523065    0.00   0.000356346   0.000061769  -0.000219176
 C     -0.275640      0.757004      1.407085    0.00   0.000276063  -0.000015566  -0.000362058
 H     -2.463906      0.961749     -1.937014    0.00   0.000053416   0.000004514   0.000030313
 H     -2.414890      2.231608      0.234124    0.00   0.000049956  -0.000017902  -0.000007455
 H     -1.420403      3.024406     -0.991936    0.00   0.000037719   0.000002510  -0.000009223
 H      0.659016      2.072572     -0.039873    0.00   0.000037363   0.000013136  -0.000025402
 H     -0.240555      2.919863      1.230016    0.00   0.000025795  -0.000005009  -0.000022601
 H     -2.618253     -0.315187      0.249341    0.00   0.000050463  -0.000019766   0.000012225
 H     -1.077074      0.780404      2.173131    0.00   0.000021109  -0.000018066  -0.000029962
 H      0.673057      0.653692      1.971767    0.00   0.000019245   0.000003317  -0.000046408
 H     -0.700829      0.800606     -1.912552    0.00   0.000045488   0.000027305   0.000012424
 O     -0.534421     -1.603654      1.392308    0.00  -0.000115663  -0.000076151  -0.000711754
 C     -1.875248     -1.645669     -1.282450    0.00   0.000579802  -0.000004988   0.000284631
 H     -1.835716     -2.571077     -0.693537    0.00   0.000064938   0.000017593   0.000047385
 H     -2.829542     -1.636608     -1.820595    0.00   0.000057178   0.000002072  -0.000005901
 H     -1.075413     -1.719002     -2.036935    0.00   0.000023419  -0.000018435   0.000034037
 H     -1.001148     -2.369418      0.979151    0.00   0.000196450   0.000030311   0.000146491
 O      0.800005     -0.572155     -0.172297    0.00   0.000049242   0.000829763  -0.000190990
 O      0.793006     -1.788295     -0.902629    0.00  -0.001123968  -0.000630696   0.001300607
 C      1.418012     -2.753873     -0.071492    0.00  -0.000149956  -0.000062510   0.003000352
 H      2.066027     -2.335188      0.696148    0.00   0.000173124   0.000190008   0.000786306
 O      1.115219     -3.893389     -0.316238    0.00  -0.002725092  -0.000360270  -0.004024404
26
 Energy =      -0.200243170199
 C     -0.270771      2.034442      0.565741    0.00   0.000402523   0.000024287  -0.000249343
 C     -1.489872      2.113852     -0.363571    0.00   0.000514014  -0.000025033  -0.000076476
 C     -1.593569      0.873028     -1.259818    0.00   0.000576559   0.000086700   0.000164897
 C     -1.714828     -0.404710     -0.410930    0.00   0.000576226  -0.000043827   0.000157841
 C     -0.488086     -0.479180      0.523807    0.00   0.000389116   0.000050226  -0.000237862
 C     -0.276078      0.755524      1.407992    0.00   0.000308103  -0.000016566  -0.000350701
 H     -2.461876      0.959973     -1.937972    0.00   0.000054064   0.000004700   0.000029853
 H     -2.414692      2.229121      0.233726    0.00   0.000051983  -0.000017119  -0.000008608
 H     -1.419886      3.022687     -0.991594    0.00   0.000038391   0.000002780  -0.000010604
 H      0.659404      2.070750     -0.038702    0.00   0.000039178   0.000012083  -0.000024886
 H     -0.240836      2.918333      1.230554    0.00   0.000028505  -0.000004596  -0.000022349
 H     -2.617536     -0.317417      0.248190    0.00   0.000052052  -0.000019852   0.000012426
 H     -1.078021      0.778810      2.173518    0.00   0.000024268  -0.000016273  -0.000029148
 H      0.672234      0.652199      1.973321    0.00   0.000022666   0.000002647  -0.000043871
 H     -0.698772      0.799195     -1.912177    0.00   0.000045935   0.000027126   0.000012411
 O     -0.536212     -1.604118      1.393708    0.00  -0.000166747  -0.000116336  -0.000829950
 C     -1.873679     -1.647397     -1.283391    0.00   0.000580681  -0.000028717   0.000286696
 H     -1.832702     -2.572930     -0.694710    0.00   0.000063046   0.000012045   0.000044707
 H     -2.828541     -1.639020     -1.820526    0.00   0.000054774   0.000000419  -0.000001896
 H     -1.074580     -1.719803     -2.038682    0.00   0.000026127  -0.000018381   0.000032855
 H     -0.991407     -2.374248      0.975461    0.00   0.000202445   0.000037063   0.000148794
 O      0.801379     -0.571914     -0.170089    0.00   0.000123874   0.000903590  -0.000265094
 O      0.792938     -1.784579     -0.906583    0.00  -0.001165325  -0.000662304   0.001451780
 C      1.424903     -2.750741     -0.080428    0.00  -0.000105803  -0.000134878   0.003185142
 H      2.093726     -2.332619      0.669354    0.00   0.000195011   0.000170154   0.000834798
 O      1.104124     -3.888823     -0.307578    0.00  -0.002931666  -0.000229938  -0.004211412
26
 Energy =      -0.199906017889
 C     -0.270655      2.032788      0.566392    0.00   0.000426196   0.000021359  -0.000246349
 C     -1.489331      2.111988     -0.363500    0.00   0.000526908  -0.000022567  -0.000084546
 C     -1.592107      0.871349     -1.260121    0.00   0.000585611   0.000086695   0.000161722
 C     -1.713695     -0.406535     -0.411564    0.00   0.000592680  -0.000048767   0.000161368
 C     -0.487932     -0.480779      0.524522    0.00   0.000421816   0.000038232  -0.000255056
 C     -0.276420      0.754028      1.408811    0.00   0.000339392  -0.000018382  -0.000337938
 H     -2.459954      0.958264     -1.938857    0.00   0.000054508   0.000004849   0.000029216
 H     -2.414479      2.226686      0.233405    0.00   0.000053663  -0.000016343  -0.000009658
 H     -1.419413      3.021021     -0.991222    0.00   0.000038923   0.000003030  -0.000011841
 H      0.659786      2.068952     -0.037646    0.00   0.000040718   0.000011029  -0.000024327
 H     -0.241038      2.916785      1.231066    0.00   0.000031072  -0.000004207  -0.000022196
 H     -2.616828     -0.319588      0.247093    0.00   0.000053415  -0.000019765   0.000012559
 H     -1.078788      0.777207      2.173908    0.00   0.000027420  -0.000014565  -0.000028255
 H      0.671567      0.650677      1.974684    0.00   0.000025971   0.000001944  -0.000041180
 H     -0.696826      0.797842     -1.911829    0.00   0.000046181   0.000026816   0.000012329
 O     -0.538234     -1.604561      1.395194    0.00  -0.000213511  -0.000156309  -0.000943092
 C     -1.872248     -1.649055     -1.284346    0.00   0.000578960  -0.000052054   0.000287084
 H     -1.830123     -2.574714     -0.695894    0.00   0.000060930   0.000006501   0.000041768
 H     -2.827583     -1.641167     -1.820636    0.00   0.000052089  -0.000001259   0.000002042
 H     -1.073769     -1.720683     -2.040303    0.00   0.000028718  -0.000018202   0.000031555
 H     -0.981858     -2.378963      0.972101    0.00   0.000207532   0.000044017   0.000150034
 O      0.802773     -0.571892     -0.167718    0.00   0.000203633   0.000974859  -0.000341194
 O      0.793034     -1.780847     -0.910689    0.00  -0.001202916  -0.000690828   0.001606355
 C      1.431709     -2.747785     -0.089546    0.00  -0.000060950  -0.000213286   0.003353380
 H      2.120904     -2.330633      0.641990    0.00   0.000216795   0.000147886   0.000879196
 O      1.093336     -3.884046     -0.298752    0.00  -0.003135752  -0.000090682  -0.004382978
26
 Energy =      -0.199551949982
 C     -0.270514      2.031142      0.566994    0.00   0.000447572   0.000017977  -0.000243187
 C     -1.488810      2.110169     -0.363407    0.00   0.000537057  -0.000020414  -0.000091929
 C     -1.590711      0.869722     -1.260402    0.00   0.000592107   0.000086352   0.000157715
 C     -1.712598     -0.408322     -0.412188    0.00   0.000606684  -0.000053115   0.000164082
 C     -0.487801     -0.482437      0.525210    0.00   0.000453968   0.000025916  -0.000270801
 C     -0.276679      0.752516      1.409546    0.00   0.000369520  -0.000021018  -0.000324079
 H     -2.458133      0.956615     -1.939677    0.00   0.000054747   0.000004964   0.000028426
 H     -2.414255      2.224305      0.233149    0.00   0.000054992  -0.000015587  -0.000010589
 H     -1.418978      3.019404     -0.990825    0.00   0.000039313   0.000003256  -0.000012936
 H      0.660160      2.067182     -0.036690    0.00   0.000041997   0.000009983  -0.000023729
 H     -0.241174      2.915224      1.231557    0.00   0.000033468  -0.000003844  -0.000022129
 H     -2.616126     -0.321698      0.246048    0.00   0.000054543  -0.000019532   0.000012623
 H     -1.079395      0.775592      2.174294    0.00   0.000030517  -0.000012962  -0.000027296
 H      0.671039      0.649133      1.975875    0.00   0.000029117   0.000001207  -0.000038394
 H     -0.694982      0.796541     -1.911506    0.00   0.000046231   0.000026389   0.000012190
 O     -0.540455     -1.604995      1.396752    0.00  -0.000255967  -0.000195714  -0.001050407
 C     -1.870944     -1.650645     -1.285310    0.00   0.000574816  -0.000074658   0.000285961
 H     -1.827939     -2.576433     -0.697083    0.00   0.000058612   0.000001030   0.000038637
 H     -2.826669     -1.643072     -1.820903    0.00   0.000049196  -0.000002926   0.000005888
 H     -1.072980     -1.721632     -2.041804    0.00   0.000031175  -0.000017900   0.000030149
 H     -0.972499     -2.383568      0.969069    0.00   0.000211750   0.000051056   0.000150299
 O      0.804187     -0.572082     -0.165196    0.00   0.000287913   0.001042914  -0.000418933
 O      0.793293     -1.777097     -0.914942    0.00  -0.001236724  -0.000716087   0.001762226
 C      1.438405     -2.745005     -0.098824    0.00  -0.000015281  -0.000296665   0.003504814
 H      2.147518     -2.329238      0.614112    0.00   0.000238468   0.000123633   0.000919488
 O      1.082841     -3.879057     -0.289773    0.00  -0.003335791   0.000055745  -0.004538089
26
 Energy =      -0.199181867703
 C     -0.270354      2.029505      0.567551    0.00   0.000466540   0.000014185  -0.000239854
 C     -1.488309      2.108397     -0.363299    0.00   0.000544439  -0.000018583  -0.000098558
 C     -1.589378      0.868144     -1.260662    0.00   0.000596069   0.000085665   0.000152990
 C     -1.711536     -0.410072     -0.412803    0.00   0.000618103  -0.000056907   0.000165977
 C     -0.487692     -0.484145      0.525871    0.00   0.000485128   0.000013367  -0.000285108
 C     -0.276863      0.750994      1.410206    0.00   0.000398082  -0.000024421  -0.000309402
 H     -2.456409      0.955022     -1.940433    0.00   0.000054786   0.000005039   0.000027508
 H     -2.414024      2.221983      0.232948    0.00   0.000055976  -0.000014855  -0.000011400
 H     -1.418577      3.017835     -0.990412    0.00   0.000039558   0.000003460  -0.000013873
 H      0.660524      2.065444     -0.035824    0.00   0.000043022   0.000008951  -0.000023107
 H     -0.241255      2.913650      1.232032    0.00   0.000035681  -0.000003511  -0.000022121
 H     -2.615428     -0.323751      0.245055    0.00   0.000055428  -0.000019178   0.000012625
 H     -1.079861      0.773965      2.174673    0.00   0.000033503  -0.000011490  -0.000026288
 H      0.670633      0.647570      1.976906    0.00   0.000032071   0.000000446  -0.000035560
 H     -0.693236      0.795292     -1.911206    0.00   0.000046093   0.000025856   0.000011994
 O     -0.542848     -1.605422      1.398367    0.00  -0.000294189  -0.000234253  -0.001151222
 C     -1.869758     -1.652173     -1.286279    0.00   0.000568470  -0.000096270   0.000283495
 H     -1.826112     -2.578090     -0.698273    0.00   0.000056118  -0.000004299   0.000035358
 H     -2.825795     -1.644756     -1.821308    0.00   0.000046152  -0.000004558   0.000009621
 H     -1.072209     -1.722641     -2.043195    0.00   0.000033478  -0.000017454   0.000028662
 H     -0.963326     -2.388064      0.966352    0.00   0.000215128   0.000058081   0.000149679
 O      0.805617     -0.572481     -0.162534    0.00   0.000375985   0.001107150  -0.000497924
 O      0.793710     -1.773327     -0.919333    0.00  -0.001266707  -0.000737820   0.001917416
 C      1.444974     -2.742403     -0.108237    0.00   0.000031327  -0.000383988   0.003639316
 H      2.173535     -2.328443      0.585766    0.00   0.000260031   0.000097765   0.000955706
 O      1.072630     -3.873856     -0.280652    0.00  -0.003530272   0.000207620  -0.004675931
26
 Energy =      -0.198796741374
 C     -0.270176      2.027880      0.568067    0.00   0.000482999   0.000010037  -0.000236343
 C     -1.487829      2.106671     -0.363178    0.00   0.000549093  -0.000017081  -0.000104371
 C     -1.588107      0.866614     -1.260903    0.00   0.000597515   0.000084625   0.000147644
 C     -1.710507     -0.411786     -0.413406    0.00   0.000626851  -0.000060215   0.000167068
 C     -0.487600     -0.485901      0.526506    0.00   0.000514872   0.000000720  -0.000298077
 C     -0.276981      0.749461      1.410791    0.00   0.000424730  -0.000028546  -0.000294177
 H     -2.454775      0.953484     -1.941134    0.00   0.000054626   0.000005082   0.000026481
 H     -2.413790      2.219721      0.232793    0.00   0.000056618  -0.000014147  -0.000012088
 H     -1.418204      3.016312     -0.989987    0.00   0.000039659   0.000003642  -0.000014656
 H      0.660877      2.063739     -0.035039    0.00   0.000043802   0.000007935  -0.000022463
 H     -0.241293      2.912066      1.232494    0.00   0.000037694  -0.000003207  -0.000022153
 H     -2.614738     -0.325746      0.244111    0.00   0.000056064  -0.000018729   0.000012566
 H     -1.080203      0.772325      2.175042    0.00   0.000036337  -0.000010154  -0.000025245
 H      0.670337      0.645995      1.977795    0.00   0.000034804  -0.000000336  -0.000032720
 H     -0.691580      0.794090     -1.910928    0.00   0.000045777   0.000025222   0.000011748
 O     -0.545389     -1.605850      1.400029    0.00  -0.000328285  -0.000271644  -0.001244926
 C     -1.868680     -1.653640     -1.287248    0.00   0.000560118  -0.000116630   0.000279839
 H     -1.824612     -2.579687     -0.699460    0.00   0.000053472  -0.000009433   0.000031981
 H     -2.824959     -1.646239     -1.821837    0.00   0.000043014  -0.000006131   0.000013227
 H     -1.071454     -1.723702     -2.044480    0.00   0.000035620  -0.000016866   0.000027105
 H     -0.954338     -2.392454      0.963942    0.00   0.000217679   0.000064994   0.000148246
 O      0.807062     -0.573082     -0.159744    0.00   0.000467018   0.001166885  -0.000577618
 O      0.794282     -1.769538     -0.923853    0.00  -0.001292907  -0.000755573   0.002070057
 C      1.451402     -2.739981     -0.117769    0.00   0.000078987  -0.000474298   0.003756862
 H      2.198939     -2.328257      0.556990    0.00   0.000281513   0.000070607   0.000987912
 O      1.062695     -3.868446     -0.271401    0.00  -0.003717667   0.000363243  -0.004795899
26
 Energy =      -0.198397606951
 C     -0.269989      2.026269      0.568545    0.00   0.000496882   0.000005590  -0.000232635
 C     -1.487369      2.104992     -0.363046    0.00   0.000551067  -0.000015895  -0.000109360
 C     -1.586892      0.865131     -1.261125    0.00   0.000596492   0.000083222   0.000141781
 C     -1.709509     -0.413462     -0.413997    0.00   0.000632874  -0.000063064   0.000167337
 C     -0.487526     -0.487700      0.527115    0.00   0.000542765  -0.000011971  -0.000309740
 C     -0.277042      0.747920      1.411308    0.00   0.000449173  -0.000033343  -0.000278645
 H     -2.453226      0.951995     -1.941778    0.00   0.000054268   0.000005083   0.000025363
 H     -2.413553      2.217522      0.232678    0.00   0.000056928  -0.000013470  -0.000012646
 H     -1.417855      3.014836     -0.989553    0.00   0.000039618   0.000003796  -0.000015287
 H      0.661218      2.062068     -0.034325    0.00   0.000044351   0.000006937  -0.000021803
 H     -0.241295      2.910476      1.232945    0.00   0.000039489  -0.000002932  -0.000022215
 H     -2.614054     -0.327685      0.243215    0.00   0.000056449  -0.000018211   0.000012454
 H     -1.080435      0.770675      2.175399    0.00   0.000038980  -0.000008963  -0.000024178
 H      0.670137      0.644411      1.978553    0.00   0.000037286  -0.000001135  -0.000029918
 H     -0.690012      0.792936     -1.910669    0.00   0.000045293   0.000024503   0.000011457
 O     -0.548058     -1.606281      1.401728    0.00  -0.000358399  -0.000307620  -0.001331012
 C     -1.867700     -1.655050     -1.288215    0.00   0.000549973  -0.000135554   0.000275136
 H     -1.823409     -2.581227     -0.700637    0.00   0.000050699  -0.000014318   0.000028540
 H     -2.824159     -1.647538     -1.822477    0.00   0.000039830  -0.000007630   0.000016692
 H     -1.070714     -1.724806     -2.045665    0.00   0.000037588  -0.000016119   0.000025500
 H     -0.945529     -2.396742      0.961826    0.00   0.000219429   0.000071711   0.000146084
 O      0.808517     -0.573882     -0.156834    0.00   0.000560104   0.001221601  -0.000657490
 O      0.795002     -1.765729     -0.928494    0.00  -0.001315285  -0.000768946   0.002218455
 C      1.457681     -2.737742     -0.127404    0.00   0.000127762  -0.000566711   0.003857465
 H      2.223718     -2.328690      0.527811    0.00   0.000302908   0.000042453   0.001016169
 O      1.053026     -3.862830     -0.262032    0.00  -0.003896522   0.000520985  -0.004897507
26
 Energy =      -0.197985563784
 C     -0.269793      2.024674      0.568989    0.00   0.000508139   0.000000905  -0.000228736
 C     -1.486930      2.103362     -0.362907    0.00   0.000550437  -0.000015028  -0.000113491
 C     -1.585733      0.863694     -1.261330    0.00   0.000593070   0.000081461   0.000135470
 C     -1.708543     -0.415100     -0.414577    0.00   0.000636123  -0.000065557   0.000166780
 C     -0.487466     -0.489537      0.527701    0.00   0.000568456  -0.000024601  -0.000320139
 C     -0.277054      0.746374      1.411762    0.00   0.000471115  -0.000038719  -0.000263035
 H     -2.451759      0.950556     -1.942374    0.00   0.000053720   0.000005049   0.000024174
 H     -2.413318      2.215388      0.232596    0.00   0.000056922  -0.000012820  -0.000013087
 H     -1.417529      3.013405     -0.989115    0.00   0.000039435   0.000003923  -0.000015769
 H      0.661546      2.060434     -0.033676    0.00   0.000044680   0.000005966  -0.000021137
 H     -0.241267      2.908883      1.233388    0.00   0.000041062  -0.000002689  -0.000022283
 H     -2.613379     -0.329567      0.242363    0.00   0.000056583  -0.000017646   0.000012286
 H     -1.080573      0.769017      2.175740    0.00   0.000041394  -0.000007925  -0.000023103
 H      0.670019      0.642823      1.979192    0.00   0.000039505  -0.000001945  -0.000027186
 H     -0.688526      0.791824     -1.910429    0.00   0.000044651   0.000023702   0.000011121
 O     -0.550836     -1.606719      1.403455    0.00  -0.000384671  -0.000341918  -0.001409027
 C     -1.866810     -1.656404     -1.289176    0.00   0.000538222  -0.000152854   0.000269520
 H     -1.822476     -2.582711     -0.701803    0.00   0.000047819  -0.000018921   0.000025072
 H     -2.823388     -1.648666     -1.823216    0.00   0.000036650  -0.000009039   0.000020014
 H     -1.069985     -1.725947     -2.046753    0.00   0.000039383  -0.000015211   0.000023856
 H     -0.936896     -2.400927      0.959991    0.00   0.000220387   0.000078150   0.000143271
 O      0.809981     -0.574875     -0.153813    0.00   0.000654237   0.001270734  -0.000736913
 O      0.795870     -1.761898     -0.933242    0.00  -0.001333850  -0.000777430   0.002361028
 C      1.463803     -2.735688     -0.137126    0.00   0.000177690  -0.000660402   0.003941200
 H      2.247869     -2.329755      0.498255    0.00   0.000324215   0.000013561   0.001040553
 O      1.043619     -3.857009     -0.252555    0.00  -0.004065374   0.000679253  -0.004980441
26
 Energy =      -0.197561772979
 C     -0.269594      2.023097      0.569400    0.00   0.000516757  -0.000003962  -0.000224642
 C     -1.486510      2.101778     -0.362761    0.00   0.000547288  -0.000014460  -0.000116786
 C     -1.584628      0.862301     -1.261519    0.00   0.000587329   0.000079337   0.000128770
 C     -1.707608     -0.416701     -0.415142    0.00   0.000636589  -0.000067742   0.000165383
 C     -0.487421     -0.491406      0.528261    0.00   0.000591588  -0.000037106  -0.000329317
 C     -0.277024      0.744826      1.412157    0.00   0.000490344  -0.000044601  -0.000247554
 H     -2.450370      0.949162     -1.942923    0.00   0.000052989   0.000004978   0.000022936
 H     -2.413085      2.213321      0.232541    0.00   0.000056611  -0.000012205  -0.000013407
 H     -1.417222      3.012018     -0.988675    0.00   0.000039116   0.000004024  -0.000016101
 H      0.661860      2.058837     -0.033086    0.00   0.000044801   0.000005025  -0.000020466
 H     -0.241215      2.907289      1.233823    0.00   0.000042401  -0.000002474  -0.000022344
 H     -2.612714     -0.331395      0.241556    0.00   0.000056468  -0.000017059   0.000012064
 H     -1.080629      0.767353      2.176065    0.00   0.000043548  -0.000007038  -0.000022028
 H      0.669974      0.641235      1.979724    0.00   0.000041441  -0.000002759  -0.000024551
 H     -0.687119      0.790754     -1.910205    0.00   0.000043863   0.000022836   0.000010742
 O     -0.553708     -1.607163      1.405204    0.00  -0.000407259  -0.000374301  -0.001478587
 C     -1.866004     -1.657707     -1.290131    0.00   0.000525063  -0.000168402   0.000263113
 H     -1.821790     -2.584139     -0.702952    0.00   0.000044858  -0.000023207   0.000021605
 H     -2.822647     -1.649641     -1.824044    0.00   0.000033509  -0.000010348   0.000023182
 H     -1.069265     -1.727120     -2.047748    0.00   0.000040998  -0.000014136   0.000022191
 H     -0.928437     -2.405014      0.958427    0.00   0.000220576   0.000084251   0.000139886
 O      0.811448     -0.576058     -0.150690    0.00   0.000748322   0.001313829  -0.000815226
 O      0.796878     -1.758048     -0.938088    0.00  -0.001348560  -0.000780539   0.002496339
 C      1.469765     -2.733820     -0.146925    0.00   0.000228746  -0.000754615   0.004008159
 H      2.271393     -2.331462      0.468339    0.00   0.000345412  -0.000015836   0.001061137
 O      1.034463     -3.850989     -0.242984    0.00  -0.004222800   0.000836510  -0.005044500
26
 Energy =      -0.197127455964
 C     -0.269392      2.021538      0.569784    0.00   0.000522725  -0.000008940  -0.000220345
 C     -1.486110      2.100242     -0.362613    0.00   0.000541736  -0.000014175  -0.000119252
 C     -1.583574      0.860952     -1.261692    0.00   0.000579356   0.000076853   0.000121751
 C     -1.706703     -0.418264     -0.415694    0.00   0.000634286  -0.000069683   0.000163129
 C     -0.487390     -0.493305      0.528799    0.00   0.000611846  -0.000049402  -0.000337335
 C     -0.276958      0.743277      1.412495    0.00   0.000506655  -0.000050896  -0.000232393
 H     -2.449055      0.947813     -1.943429    0.00   0.000052081   0.000004872   0.000021658
 H     -2.412856      2.211320      0.232510    0.00   0.000056012  -0.000011620  -0.000013612
 H     -1.416930      3.010675     -0.988237    0.00   0.000038663   0.000004096  -0.000016297
 H      0.662160      2.057277     -0.032548    0.00   0.000044727   0.000004115  -0.000019796
 H     -0.241144      2.905697      1.234253    0.00   0.000043499  -0.000002288  -0.000022383
 H     -2.612059     -0.333168      0.240787    0.00   0.000056109  -0.000016469   0.000011789
 H     -1.080613      0.765685      2.176373    0.00   0.000045417  -0.000006298  -0.000020966
 H      0.669991      0.639649      1.980158    0.00   0.000043085  -0.000003573  -0.000022042
 H     -0.685786      0.789725     -1.909998    0.00   0.000042941   0.000021910   0.000010324
 O     -0.556659     -1.607617      1.406967    0.00  -0.000426309  -0.000404524  -0.001539365
 C     -1.865273     -1.658959     -1.291076    0.00   0.000510678  -0.000182090   0.000256031
 H     -1.821331     -2.585514     -0.704082    0.00   0.000041836  -0.000027151   0.000018167
 H     -2.821930     -1.650475     -1.824953    0.00   0.000030445  -0.000011547   0.000026193
 H     -1.068550     -1.728319     -2.048652    0.00   0.000042433  -0.000012894   0.000020517
 H     -0.920147     -2.409003      0.957118    0.00   0.000220017   0.000089945   0.000136004
 O      0.812917     -0.577425     -0.147472    0.00   0.000841206   0.001350388  -0.000891714
 O      0.798025     -1.754176     -0.943019    0.00  -0.001359418  -0.000777729   0.002623080
 C      1.475561     -2.732144     -0.156790    0.00   0.000280876  -0.000848649   0.004058494
 H      2.294295     -2.333827      0.438073    0.00   0.000366473  -0.000045526   0.001077992
 O      1.025557     -3.844776     -0.233327    0.00  -0.004367374   0.000991276  -0.005089630
26
 Energy =      -0.196683893073
 C     -0.269191      2.020001      0.570139    0.00   0.000526059  -0.000013969  -0.000215850
 C     -1.485729      2.098752     -0.362461    0.00   0.000533897  -0.000014154  -0.000120909
 C     -1.582569      0.859646     -1.261852    0.00   0.000569260   0.000074018   0.000114460
 C     -1.705829     -0.419789     -0.416232    0.00   0.000629241  -0.000071448   0.000160010
 C     -0.487374     -0.495228      0.529315    0.00   0.000628952  -0.000061422  -0.000344237
 C     -0.276863      0.741732      1.412783    0.00   0.000519887  -0.000057507  -0.000217716
 H     -2.447810      0.946510     -1.943895    0.00   0.000051001   0.000004734   0.000020359
 H     -2.412632      2.209387      0.232497    0.00   0.000055141  -0.000011065  -0.000013709
 H     -1.416653      3.009375     -0.987804    0.00   0.000038082   0.000004140  -0.000016360
 H      0.662446      2.055753     -0.032058    0.00   0.000044470   0.000003241  -0.000019130
 H     -0.241058      2.904110      1.234676    0.00   0.000044352  -0.000002129  -0.000022388
 H     -2.611419     -0.334888      0.240056    0.00   0.000055511  -0.000015894   0.000011461
 H     -1.080539      0.764016      2.176663    0.00   0.000046976  -0.000005700  -0.000019926
 H      0.670060      0.638068      1.980503    0.00   0.000044430  -0.000004381  -0.000019677
 H     -0.684524      0.788733     -1.909805    0.00   0.000041898   0.000020935   0.000009867
 O     -0.559675     -1.608079      1.408739    0.00  -0.000441976  -0.000432364  -0.001591102
 C     -1.864611     -1.660163     -1.292009    0.00   0.000495239  -0.000193839   0.000248381
 H     -1.821076     -2.586837     -0.705190    0.00   0.000038774  -0.000030734   0.000014783
 H     -2.821233     -1.651179     -1.825935    0.00   0.000027487  -0.000012632   0.000029042
 H     -1.067836     -1.729539     -2.049470    0.00   0.000043685  -0.000011485   0.000018846
 H     -0.912023     -2.412897      0.956053    0.00   0.000218735   0.000095184   0.000131706
 O      0.814382     -0.578971     -0.144168    0.00   0.000931686   0.001380014  -0.000965650
 O      0.799308     -1.750284     -0.948022    0.00  -0.001366398  -0.000768501   0.002740061
 C      1.481192     -2.730663     -0.166713    0.00   0.000333963  -0.000941857   0.004092368
 H      2.316577     -2.336864      0.407465    0.00   0.000387347  -0.000075315   0.001091180
 O      1.016894     -3.838374     -0.223594    0.00  -0.004497701   0.001142130  -0.005115870
26
 Energy =      -0.196232422091
 C     -0.268994      2.018485      0.570470    0.00   0.000526784  -0.000018980  -0.000211153
 C     -1.485367      2.097312     -0.362309    0.00   0.000523900  -0.000014373  -0.000121787
 C     -1.581614      0.858382     -1.262000    0.00   0.000557155   0.000070844   0.000106948
 C     -1.704988     -0.421275     -0.416757    0.00   0.000621509  -0.000073086   0.000156016
 C     -0.487373     -0.497168      0.529809    0.00   0.000642653  -0.000073105  -0.000350066
 C     -0.276745      0.740192      1.413023    0.00   0.000529919  -0.000064334  -0.000203668
 H     -2.446633      0.945247     -1.944323    0.00   0.000049762   0.000004563   0.000019050
 H     -2.412415      2.207522      0.232499    0.00   0.000054018  -0.000010540  -0.000013704
 H     -1.416390      3.008117     -0.987376    0.00   0.000037379   0.000004154  -0.000016299
 H      0.662717      2.054266     -0.031611    0.00   0.000044042   0.000002408  -0.000018473
 H     -0.240960      2.902530      1.235095    0.00   0.000044959  -0.000001996  -0.000022347
 H     -2.610793     -0.336555      0.239361    0.00   0.000054681  -0.000015354   0.000011082
 H     -1.080414      0.762351      2.176933    0.00   0.000048209  -0.000005235  -0.000018916
 H      0.670172      0.636496      1.980769    0.00   0.000045471  -0.000005178  -0.000017475
 H     -0.683331      0.787779     -1.909626    0.00   0.000040745   0.000019921   0.000009374
 O     -0.562747     -1.608550      1.410513    0.00  -0.000454408  -0.000457610  -0.001633603
 C     -1.864012     -1.661321     -1.292929    0.00   0.000478912  -0.000203603   0.000240263
 H     -1.821011     -2.588108     -0.706272    0.00   0.000035691  -0.000033943   0.000011471
 H     -2.820552     -1.651765     -1.826984    0.00   0.000024659  -0.000013596   0.000031726
 H     -1.067122     -1.730776     -2.050200    0.00   0.000044753  -0.000009913   0.000017189
 H     -0.904063     -2.416696      0.955217    0.00   0.000216763   0.000099928   0.000127070
 O      0.815839     -0.580690     -0.140785    0.00   0.001018510   0.001402361  -0.001036284
 O      0.800725     -1.746370     -0.953086    0.00  -0.001369458  -0.000752390   0.002846195
 C      1.486654     -2.729378     -0.176686    0.00   0.000387837  -0.001033642   0.004109978
 H      2.338246     -2.340590      0.376520    0.00   0.000407966  -0.000105018   0.001100763
 O      1.008469     -3.831789     -0.213797    0.00  -0.004612410   0.001287717  -0.005123352
26
 Energy =      -0.195774436887
 C     -0.268799      2.016993      0.570777    0.00   0.000524945  -0.000023913  -0.000206255
 C     -1.485023      2.095918     -0.362158    0.00   0.000511881  -0.000014802  -0.000121920
 C     -1.580704      0.857160     -1.262134    0.00   0.000543164   0.000067349   0.000099264
 C     -1.704178     -0.422723     -0.417268    0.00   0.000611156  -0.000074657   0.000151141
 C     -0.487388     -0.499124      0.530285    0.00   0.000652750  -0.000084392  -0.000354862
 C     -0.276608      0.738659      1.413219    0.00   0.000536648  -0.000071267  -0.000190371
 H     -2.445519      0.944028     -1.944719    0.00   0.000048369   0.000004364   0.000017746
 H     -2.412205      2.205725      0.232513    0.00   0.000052660  -0.000010043  -0.000013603
 H     -1.416137      3.006902     -0.986956    0.00   0.000036559   0.000004139  -0.000016122
 H      0.662973      2.052814     -0.031202    0.00   0.000043454   0.000001617  -0.000017826
 H     -0.240853      2.900960      1.235507    0.00   0.000045314  -0.000001887  -0.000022249
 H     -2.610186     -0.338169      0.238698    0.00   0.000053629  -0.000014861   0.000010651
 H     -1.080248      0.760691      2.177184    0.00   0.000049101  -0.000004893  -0.000017944
 H      0.670321      0.634934      1.980963    0.00   0.000046208  -0.000005957  -0.000015445
 H     -0.682202      0.786859     -1.909458    0.00   0.000039495   0.000018878   0.000008845
 O     -0.565863     -1.609031      1.412284    0.00  -0.000463751  -0.000480061  -0.001666729
 C     -1.863470     -1.662435     -1.293834    0.00   0.000461847  -0.000211355   0.000231766
 H     -1.821118     -2.589328     -0.707327    0.00   0.000032607  -0.000036767   0.000008255
 H     -2.819885     -1.652244     -1.828094    0.00   0.000021984  -0.000014439   0.000034241
 H     -1.066402     -1.732027     -2.050846    0.00   0.000045636  -0.000008185   0.000015559
 H     -0.896260     -2.420402      0.954597    0.00   0.000214139   0.000104142   0.000122177
 O      0.817284     -0.582576     -0.137331    0.00   0.001100401   0.001417131  -0.001102859
 O      0.802275     -1.742435     -0.958197    0.00  -0.001368556  -0.000728975   0.002940505
 C      1.491948     -2.728298     -0.186704    0.00   0.000442264  -0.001123444   0.004111539
 H      2.359307     -2.345024      0.345234    0.00   0.000428245  -0.000134459   0.001106792
 O      1.000279     -3.825028     -0.203944    0.00  -0.004710149   0.001426738  -0.005112298
26
 Energy =      -0.195311386163
 C     -0.268612      2.015525      0.571062    0.00   0.000520592  -0.000028700  -0.000201146
 C     -1.484699      2.094571     -0.362009    0.00   0.000497984  -0.000015419  -0.000121342
 C     -1.579841      0.855978     -1.262258    0.00   0.000527414   0.000063555   0.000091454
 C     -1.703402     -0.424132     -0.417763    0.00   0.000598266  -0.000076200   0.000145390
 C     -0.487421     -0.501089      0.530742    0.00   0.000659060  -0.000095223  -0.000358665
 C     -0.276457      0.737136      1.413374    0.00   0.000540021  -0.000078200  -0.000177922
 H     -2.444468      0.942849     -1.945082    0.00   0.000046834   0.000004137   0.000016457
 H     -2.412005      2.203996      0.232535    0.00   0.000051088  -0.000009572  -0.000013413
 H     -1.415893      3.005726     -0.986546    0.00   0.000035630   0.000004096  -0.000015839
 H      0.663212      2.051398     -0.030829    0.00   0.000042716   0.000000873  -0.000017191
 H     -0.240739      2.899404      1.235915    0.00   0.000045421  -0.000001800  -0.000022088
 H     -2.609601     -0.339735      0.238064    0.00   0.000052362  -0.000014431   0.000010170
 H     -1.080050      0.759040      2.177416    0.00   0.000049642  -0.000004662  -0.000017014
 H      0.670497      0.633385      1.981093    0.00   0.000046643  -0.000006713  -0.000013599
 H     -0.681137      0.785973     -1.909302    0.00   0.000038161   0.000017816   0.000008283
 O     -0.569015     -1.609520      1.414050    0.00  -0.000470144  -0.000499541  -0.001690398
 C     -1.862980     -1.663505     -1.294724    0.00   0.000444184  -0.000217092   0.000222978
 H     -1.821383     -2.590499     -0.708353    0.00   0.000029541  -0.000039202   0.000005150
 H     -2.819226     -1.652625     -1.829262    0.00   0.000019478  -0.000015159   0.000036578
 H     -1.065675     -1.733288     -2.051409    0.00   0.000046333  -0.000006313   0.000013965
 H     -0.888610     -2.424017      0.954180    0.00   0.000210904   0.000107805   0.000117103
 O      0.818712     -0.584622     -0.133814    0.00   0.001176077   0.001424091  -0.001164622
 O      0.803956     -1.738479     -0.963341    0.00  -0.001363632  -0.000697906   0.003022102
 C      1.497072     -2.727425     -0.196762    0.00   0.000496947  -0.001210738   0.004097284
 H      2.379764     -2.350183      0.313606    0.00   0.000448073  -0.000163464   0.001109313
 O      0.992320     -3.818099     -0.194043    0.00  -0.004789594   0.001557960  -0.005082990
26
 Energy =      -0.194844772518
 C     -0.268431      2.014083      0.571327    0.00   0.000513793  -0.000033279  -0.000195827
 C     -1.484393      2.093269     -0.361862    0.00   0.000482359  -0.000016187  -0.000120092
 C     -1.579022      0.854835     -1.262370    0.00   0.000510039   0.000059489   0.000083566
 C     -1.702661     -0.425502     -0.418245    0.00   0.000582938  -0.000077761   0.000138775
 C     -0.487473     -0.503061      0.531183    0.00   0.000661456  -0.000105543  -0.000361499
 C     -0.276300      0.735626      1.413492    0.00   0.000540007  -0.000085017  -0.000166388
 H     -2.443476      0.941711     -1.945417    0.00   0.000045166   0.000003887   0.000015197
 H     -2.411813      2.202334      0.232565    0.00   0.000049322  -0.000009125  -0.000013143
 H     -1.415661      3.004591     -0.986146    0.00   0.000034596   0.000004024  -0.000015458
 H      0.663437      2.050015     -0.030488    0.00   0.000041838   0.000000180  -0.000016569
 H     -0.240622      2.897862      1.236316    0.00   0.000045279  -0.000001732  -0.000021855
 H     -2.609039     -0.341249      0.237458    0.00   0.000050892  -0.000014071   0.000009640
 H     -1.079827      0.757403      2.177629    0.00   0.000049826  -0.000004526  -0.000016131
 H      0.670694      0.631851      1.981164    0.00   0.000046780  -0.000007440  -0.000011939
 H     -0.680130      0.785118     -1.909155    0.00   0.000036755   0.000016744   0.000007690
 O     -0.572193     -1.610015      1.415806    0.00  -0.000473723  -0.000515886  -0.001704582
 C     -1.862535     -1.664535     -1.295596    0.00   0.000426053  -0.000220832   0.000213972
 H     -1.821794     -2.591621     -0.709348    0.00   0.000026511  -0.000041246   0.000002176
 H     -2.818574     -1.652916     -1.830482    0.00   0.000017155  -0.000015755   0.000038733
 H     -1.064936     -1.734556     -2.051889    0.00   0.000046839  -0.000004311   0.000012417
 H     -0.881106     -2.427543      0.953953    0.00   0.000207101   0.000110901   0.000111922
 O      0.820119     -0.586818     -0.130241    0.00   0.001244261   0.001423072  -0.001220836
 O      0.805772     -1.734500     -0.968506    0.00  -0.001354617  -0.000658926   0.003090185
 C      1.502025     -2.726763     -0.206858    0.00   0.000551505  -0.001295012   0.004067447
 H      2.399620     -2.356090      0.281626    0.00   0.000467318  -0.000191854   0.001108362
 O      0.984588     -3.811011     -0.184104    0.00  -0.004849447   0.001680207  -0.005035762
26
 Energy =      -0.194376152015
 C     -0.268259      2.012668      0.571574    0.00   0.000504624  -0.000037588  -0.000190284
 C     -1.484105      2.092014     -0.361718    0.00   0.000465154  -0.000017074  -0.000118210
 C     -1.578246      0.853732     -1.262473    0.00   0.000491176   0.000055180   0.000075646
 C     -1.701954     -0.426833     -0.418713    0.00   0.000565289  -0.000079360   0.000131319
 C     -0.487545     -0.505034      0.531607    0.00   0.000659837  -0.000115304  -0.000363383
 C     -0.276139      0.734131      1.413577    0.00   0.000536610  -0.000091604  -0.000155817
 H     -2.442541      0.940613     -1.945725    0.00   0.000043376   0.000003616   0.000013973
 H     -2.411630      2.200741      0.232600    0.00   0.000047382  -0.000008700  -0.000012798
 H     -1.415436      3.003495     -0.985758    0.00   0.000033467   0.000003924  -0.000014989
 H      0.663647      2.048666     -0.030176    0.00   0.000040831  -0.000000461  -0.000015959
 H     -0.240501      2.896337      1.236711    0.00   0.000044893  -0.000001682  -0.000021544
 H     -2.608503     -0.342714      0.236876    0.00   0.000049231  -0.000013793   0.000009065
 H     -1.079584      0.755781      2.177824    0.00   0.000049655  -0.000004470  -0.000015298
 H      0.670906      0.630331      1.981185    0.00   0.000046626  -0.000008132  -0.000010464
 H     -0.679182      0.784293     -1.909017    0.00   0.000035286   0.000015671   0.000007071
 O     -0.575389     -1.610518      1.417548    0.00  -0.000474613  -0.000528951  -0.001709309
 C     -1.862132     -1.665526     -1.296451    0.00   0.000407566  -0.000222613   0.000204819
 H     -1.822338     -2.592695     -0.710309    0.00   0.000023534  -0.000042898  -0.000000652
 H     -2.817922     -1.653125     -1.831753    0.00   0.000015023  -0.000016227   0.000040694
 H     -1.064182     -1.735827     -2.052289    0.00   0.000047153  -0.000002199   0.000010925
 H     -0.873742     -2.430981      0.953903    0.00   0.000202777   0.000113423   0.000106706
 O      0.821499     -0.589159     -0.126621    0.00   0.001303707   0.001413980  -0.001270779
 O      0.807722     -1.730497     -0.973676    0.00  -0.001341418  -0.000611893   0.003144021
 C      1.506806     -2.726318     -0.216988    0.00   0.000605468  -0.001375753   0.004022267
 H      2.418872     -2.362766      0.249286    0.00   0.000485815  -0.000219445   0.001103965
 O      0.977082     -3.803770     -0.174132    0.00  -0.004888448   0.001792353  -0.004970984
26
 Energy =      -0.193907134231
 C     -0.268096      2.011281      0.571803    0.00   0.000493172  -0.000041570  -0.000184508
 C     -1.483834      2.090805     -0.361579    0.00   0.000446528  -0.000018041  -0.000115734
 C     -1.577514      0.852669     -1.262566    0.00   0.000470968   0.000050666   0.000067748
 C     -1.701284     -0.428126     -0.419166    0.00   0.000545447  -0.000081019   0.000123062
 C     -0.487639     -0.507003      0.532017    0.00   0.000654157  -0.000124448  -0.000364324
 C     -0.275978      0.732653      1.413632    0.00   0.000529866  -0.000097836  -0.000146220
 H     -2.441659      0.939556     -1.946009    0.00   0.000041474   0.000003328   0.000012794
 H     -2.411458      2.199214      0.232639    0.00   0.000045290  -0.000008293  -0.000012387
 H     -1.415219      3.002439     -0.985382    0.00   0.000032249   0.000003797  -0.000014443
 H      0.663842      2.047351     -0.029890    0.00   0.000039701  -0.000001046  -0.000015360
 H     -0.240379      2.894832      1.237099    0.00   0.000044265  -0.000001646  -0.000021151
 H     -2.607997     -0.344133      0.236316    0.00   0.000047390  -0.000013599   0.000008446
 H     -1.079331      0.754179      2.178001    0.00   0.000049128  -0.000004476  -0.000014516
 H      0.671127      0.628830      1.981160    0.00   0.000046192  -0.000008782  -0.000009174
 H     -0.678288      0.783497     -1.908886    0.00   0.000033767   0.000014606   0.000006427
 O     -0.578597     -1.611025      1.419272    0.00  -0.000472939  -0.000538615  -0.001704643
 C     -1.861767     -1.666480     -1.297286    0.00   0.000388828  -0.000222485   0.000195578
 H     -1.823004     -2.593722     -0.711236    0.00   0.000020629  -0.000044164  -0.000003316
 H     -2.817268     -1.653262     -1.833071    0.00   0.000013091  -0.000016577   0.000042450
 H     -1.063410     -1.737100     -2.052605    0.00   0.000047269   0.000000000   0.000009498
 H     -0.866508     -2.434334      0.954017    0.00   0.000197978   0.000115370   0.000101520
 O      0.822847     -0.591632     -0.122961    0.00   0.001353224   0.001396784  -0.001313757
 O      0.809809     -1.726469     -0.978840    0.00  -0.001323934  -0.000556809   0.003182951
 C      1.511414     -2.726098     -0.227151    0.00   0.000658264  -0.001452433   0.003961965
 H      2.437521     -2.370234      0.216571    0.00   0.000503369  -0.000246035   0.001096137
 O      0.969800     -3.796386     -0.164136    0.00  -0.004905373   0.001893325  -0.004889044
26
 Energy =      -0.193439383331
 C     -0.267944      2.009922      0.572016    0.00   0.000479535  -0.000045163  -0.000178484
 C     -1.483581      2.089640     -0.361443    0.00   0.000426636  -0.000019055  -0.000112704
 C     -1.576823      0.851642     -1.262652    0.00   0.000449558   0.000045986   0.000059925
 C     -1.700652     -0.429381     -0.419604    0.00   0.000523553  -0.000082739   0.000114059
 C     -0.487759     -0.508967      0.532414    0.00   0.000644402  -0.000132919  -0.000364306
 C     -0.275821      0.731195      1.413658    0.00   0.000519845  -0.000103593  -0.000137586
 H     -2.440829      0.938537     -1.946272    0.00   0.000039474   0.000003026   0.000011668
 H     -2.411296      2.197752      0.232679    0.00   0.000043066  -0.000007902  -0.000011918
 H     -1.415010      3.001420     -0.985022    0.00   0.000030948   0.000003646  -0.000013827
 H      0.664022      2.046067     -0.029627    0.00   0.000038456  -0.000001572  -0.000014772
 H     -0.240258      2.893348      1.237480    0.00   0.000043403  -0.000001623  -0.000020673
 H     -2.607524     -0.345504      0.235775    0.00   0.000045383  -0.000013492   0.000007787
 H     -1.079072      0.752600      2.178162    0.00   0.000048256  -0.000004529  -0.000013784
 H      0.671351      0.627347      1.981093    0.00   0.000045488  -0.000009383  -0.000008058
 H     -0.677448      0.782728     -1.908761    0.00   0.000032205   0.000013554   0.000005766
 O     -0.581810     -1.611537      1.420978    0.00  -0.000468809  -0.000544770  -0.001690695
 C     -1.861434     -1.667396     -1.298103    0.00   0.000369931  -0.000220519   0.000186302
 H     -1.823783     -2.594702     -0.712126    0.00   0.000017812  -0.000045047  -0.000005799
 H     -2.816611     -1.653333     -1.834432    0.00   0.000011361  -0.000016805   0.000043985
 H     -1.062617     -1.738371     -2.052843    0.00   0.000047182   0.000002258   0.000008145
 H     -0.859396     -2.437602      0.954284    0.00   0.000192749   0.000116744   0.000096420
 O      0.824157     -0.594229     -0.119268    0.00   0.001391705   0.001371529  -0.001349113
 O      0.812038     -1.722414     -0.983980    0.00  -0.001302049  -0.000493839   0.003206368
 C      1.515847     -2.726105     -0.237346    0.00   0.000709199  -0.001524475   0.003886752
 H      2.455559     -2.378518      0.183467    0.00   0.000519750  -0.000271399   0.001084878
 O      0.962739     -3.788869     -0.154122    0.00  -0.004899040   0.001982080  -0.004790337
26
 Energy =      -0.192974620091
 C     -0.267802      2.008593      0.572213    0.00   0.000463823  -0.000048314  -0.000172197
 C     -1.483345      2.088520     -0.361313    0.00   0.000405642  -0.000020073  -0.000109163
 C     -1.576172      0.850652     -1.262728    0.00   0.000427091   0.000041185   0.000052236
 C     -1.700060     -0.430596     -0.420028    0.00   0.000499772  -0.000084502   0.000104385
 C     -0.487904     -0.510919      0.532798    0.00   0.000630607  -0.000140654  -0.000363298
 C     -0.275672      0.729757      1.413661    0.00   0.000506650  -0.000108754  -0.000129875
 H     -2.440049      0.937559     -1.946515    0.00   0.000037385   0.000002715   0.000010602
 H     -2.411144      2.196355      0.232719    0.00   0.000040733  -0.000007524  -0.000011397
 H     -1.414807      3.000440     -0.984674    0.00   0.000029572   0.000003472  -0.000013154
 H      0.664187      2.044813     -0.029384    0.00   0.000037104  -0.000002036  -0.000014189
 H     -0.240137      2.891889      1.237853    0.00   0.000042314  -0.000001610  -0.000020107
 H     -2.607087     -0.346830      0.235250    0.00   0.000043225  -0.000013470   0.000007096
 H     -1.078812      0.751048      2.178307    0.00   0.000047051  -0.000004609  -0.000013100
 H      0.671573      0.625884      1.980992    0.00   0.000044527  -0.000009927  -0.000007108
 H     -0.676657      0.781984     -1.908640    0.00   0.000030611   0.000012525   0.000005091
 O     -0.585020     -1.612052      1.422662    0.00  -0.000462332  -0.000547334  -0.001667614
 C     -1.861130     -1.668279     -1.298900    0.00   0.000350951  -0.000216799   0.000177036
 H     -1.824664     -2.595638     -0.712981    0.00   0.000015100  -0.000045553  -0.000008084
 H     -2.815944     -1.653345     -1.835837    0.00   0.000009831  -0.000016913   0.000045283
 H     -1.061802     -1.739639     -2.053000    0.00   0.000046886   0.000004542   0.000006874
 H     -0.852394     -2.440790      0.954693    0.00   0.000187132   0.000117553   0.000091456
 O      0.825423     -0.596938     -0.115550    0.00   0.001418146   0.001338346  -0.001376219
 O      0.814411     -1.718333     -0.989083    0.00  -0.001275628  -0.000423357   0.003213704
 C      1.520101     -2.726346     -0.247574    0.00   0.000757452  -0.001591227   0.003796812
 H      2.472975     -2.387641      0.149957    0.00   0.000534683  -0.000295286   0.001070176
 O      0.955899     -3.781231     -0.144097    0.00  -0.004868328   0.002057605  -0.004675246
26
 Energy =      -0.192514624887
 C     -0.267672      2.007295      0.572398    0.00   0.000446158  -0.000050974  -0.000165624
 C     -1.483127      2.087444     -0.361188    0.00   0.000383700  -0.000021057  -0.000105149
 C     -1.575563      0.849699     -1.262798    0.00   0.000403718   0.000036313   0.000044740
 C     -1.699508     -0.431773     -0.420437    0.00   0.000474277  -0.000086285   0.000094136
 C     -0.488079     -0.512856      0.533173    0.00   0.000612860  -0.000147580  -0.000361244
 C     -0.275536      0.728345      1.413641    0.00   0.000490418  -0.000113193  -0.000123014
 H     -2.439317      0.936619     -1.946743    0.00   0.000035221   0.000002399   0.000009599
 H     -2.411004      2.195022      0.232760    0.00   0.000038311  -0.000007155  -0.000010833
 H     -1.414611      2.999494     -0.984342    0.00   0.000028128   0.000003276  -0.000012431
 H      0.664337      2.043590     -0.029161    0.00   0.000035649  -0.000002436  -0.000013609
 H     -0.240020      2.890455      1.238219    0.00   0.000041006  -0.000001602  -0.000019453
 H     -2.606689     -0.348111      0.234739    0.00   0.000040930  -0.000013525   0.000006376
 H     -1.078555      0.749526      2.178438    0.00   0.000045527  -0.000004699  -0.000012460
 H      0.671791      0.624442      1.980858    0.00   0.000043322  -0.000010407  -0.000006310
 H     -0.675915      0.781264     -1.908523    0.00   0.000028990   0.000011523   0.000004410
 O     -0.588224     -1.612569      1.424322    0.00  -0.000453603  -0.000546238  -0.001635574
 C     -1.860850     -1.669128     -1.299675    0.00   0.000331953  -0.000211414   0.000167815
 H     -1.825640     -2.596530     -0.713798    0.00   0.000012511  -0.000045689  -0.000010155
 H     -2.815267     -1.653303     -1.837282    0.00   0.000008501  -0.000016903   0.000046321
 H     -1.060959     -1.740900     -2.053080    0.00   0.000046373   0.000006815   0.000005691
 H     -0.845489     -2.443898      0.955230    0.00   0.000181166   0.000117801   0.000086665
 O      0.826640     -0.599748     -0.111816    0.00   0.001431692   0.001297439  -0.001394486
 O      0.816934     -1.714225     -0.994135    0.00  -0.001244534  -0.000345964   0.003204423
 C      1.524173     -2.726828     -0.257836    0.00   0.000802060  -0.001651937   0.003692305
 H      2.489754     -2.397628      0.116024    0.00   0.000547852  -0.000317401   0.001051999
 O      0.949282     -3.773481     -0.134067    0.00  -0.004812185   0.002118892  -0.004544137
26
 Energy =      -0.192061241986
 C     -0.267554      2.006029      0.572568    0.00   0.000426670  -0.000053091  -0.000158746
 C     -1.482923      2.086411     -0.361069    0.00   0.000360975  -0.000021962  -0.000100700
 C     -1.574993      0.848780     -1.262859    0.00   0.000379585   0.000031422   0.000037503
 C     -1.699000     -0.432912     -0.420833    0.00   0.000447261  -0.000088026   0.000083427
 C     -0.488285     -0.514774      0.533538    0.00   0.000591292  -0.000153621  -0.000358058
 C     -0.275412      0.726959      1.413604    0.00   0.000471319  -0.000116788  -0.000116908
 H     -2.438629      0.935718     -1.946953    0.00   0.000032994   0.000002080   0.000008663
 H     -2.410875      2.193752      0.232797    0.00   0.000035822  -0.000006793  -0.000010232
 H     -1.414420      2.998585     -0.984024    0.00   0.000026624   0.000003063  -0.000011670
 H      0.664473      2.042397     -0.028954    0.00   0.000034097  -0.000002772  -0.000013028
 H     -0.239905      2.889051      1.238574    0.00   0.000039489  -0.000001599  -0.000018713
 H     -2.606333     -0.349350      0.234238    0.00   0.000038516  -0.000013649   0.000005637
 H     -1.078306      0.748037      2.178558    0.00   0.000043709  -0.000004783  -0.000011859
 H      0.671998      0.623021      1.980698    0.00   0.000041890  -0.000010814  -0.000005649
 H     -0.675220      0.780567     -1.908409    0.00   0.000027348   0.000010553   0.000003732
 O     -0.591416     -1.613085      1.425956    0.00  -0.000442713  -0.000541431  -0.001594786
 C     -1.860594     -1.669947     -1.300431    0.00   0.000312990  -0.000204478   0.000158666
 H     -1.826703     -2.597378     -0.714578    0.00   0.000010061  -0.000045463  -0.000011996
 H     -2.814574     -1.653216     -1.838765    0.00   0.000007361  -0.000016774   0.000047077
 H     -1.060088     -1.742153     -2.053081    0.00   0.000045638   0.000009039   0.000004605
 H     -0.838669     -2.446929      0.955887    0.00   0.000174879   0.000117492   0.000082072
 O      0.827800     -0.602646     -0.108072    0.00   0.001431655   0.001249119  -0.001403361
 O      0.819613     -1.710087     -0.999120    0.00  -0.001208605  -0.000262550   0.003177992
 C      1.528057     -2.727554     -0.268134    0.00   0.000841901  -0.001705694   0.003573378
 H      2.505876     -2.408502      0.081649    0.00   0.000558891  -0.000337400   0.001030307
 O      0.942885     -3.765630     -0.124038    0.00  -0.004729647   0.002164921  -0.004397352
26
 Energy =      -0.191616385152
 C     -0.267448      2.004795      0.572727    0.00   0.000405503  -0.000054626  -0.000151541
 C     -1.482737      2.085420     -0.360955    0.00   0.000337625  -0.000022752  -0.000095860
 C     -1.574460      0.847897     -1.262915    0.00   0.000354843   0.000026570   0.000030590
 C     -1.698535     -0.434013     -0.421214    0.00   0.000418933  -0.000089661   0.000072408
 C     -0.488525     -0.516671      0.533893    0.00   0.000566089  -0.000158667  -0.000353629
 C     -0.275307      0.725600      1.413551    0.00   0.000449557  -0.000119421  -0.000111433
 H     -2.437984      0.934856     -1.947151    0.00   0.000030717   0.000001766   0.000007796
 H     -2.410757      2.192543      0.232834    0.00   0.000033286  -0.000006433  -0.000009603
 H     -1.414238      2.997712     -0.983723    0.00   0.000025066   0.000002834  -0.000010878
 H      0.664595      2.041233     -0.028761    0.00   0.000032453  -0.000003040  -0.000012440
 H     -0.239793      2.887677      1.238921    0.00   0.000037777  -0.000001597  -0.000017887
 H     -2.606022     -0.350547      0.233747    0.00   0.000036001  -0.000013824   0.000004888
 H     -1.078069      0.746585      2.178666    0.00   0.000041619  -0.000004845  -0.000011290
 H      0.672193      0.621623      1.980513    0.00   0.000040247  -0.000011136  -0.000005107
 H     -0.674568      0.779891     -1.908294    0.00   0.000025691   0.000009618   0.000003063
 O     -0.594589     -1.613600      1.427561    0.00  -0.000429739  -0.000532886  -0.001545476
 C     -1.860354     -1.670735     -1.301165    0.00   0.000294100  -0.000196102   0.000149603
 H     -1.827846     -2.598184     -0.715318    0.00   0.000007765  -0.000044882  -0.000013588
 H     -2.813867     -1.653087     -1.840285    0.00   0.000006403  -0.000016527   0.000047523
 H     -1.059187     -1.743395     -2.053005    0.00   0.000044671   0.000011162   0.000003620
 H     -0.831916     -2.449886      0.956654    0.00   0.000168292   0.000116624   0.000077686
 O      0.828898     -0.605620     -0.104326    0.00   0.001417557   0.001193752  -0.001402335
 O      0.822455     -1.705921     -1.004022    0.00  -0.001167705  -0.000174285   0.003133908
 C      1.531750     -2.728531     -0.278468    0.00   0.000875720  -0.001751419   0.003440153
 H      2.521315     -2.420283      0.046813    0.00   0.000567387  -0.000354875   0.001005038
 O      0.936713     -3.757693     -0.114016    0.00  -0.004619857   0.002194651  -0.004235209
26
 Energy =      -0.191182044448
 C     -0.267353      2.003593      0.572874    0.00   0.000382807  -0.000055541  -0.000143986
 C     -1.482565      2.084470     -0.360849    0.00   0.000313808  -0.000023382  -0.000090667
 C     -1.573965      0.847049     -1.262965    0.00   0.000329639   0.000021815   0.000024071
 C     -1.698115     -0.435076     -0.421580    0.00   0.000389521  -0.000091080   0.000061237
 C     -0.488801     -0.518541      0.534241    0.00   0.000537488  -0.000162617  -0.000347808
 C     -0.275220      0.724270      1.413484    0.00   0.000425371  -0.000120978  -0.000106443
 H     -2.437381      0.934033     -1.947336    0.00   0.000028405   0.000001458   0.000006996
 H     -2.410650      2.191395      0.232867    0.00   0.000030724  -0.000006074  -0.000008950
 H     -1.414060      2.996872     -0.983437    0.00   0.000023461   0.000002593  -0.000010067
 H      0.664704      2.040096     -0.028583    0.00   0.000030721  -0.000003241  -0.000011839
 H     -0.239686      2.886333      1.239257    0.00   0.000035881  -0.000001592  -0.000016980
 H     -2.605759     -0.351703      0.233260    0.00   0.000033405  -0.000014029   0.000004139
 H     -1.077844      0.745172      2.178765    0.00   0.000039288  -0.000004871  -0.000010743
 H      0.672372      0.620246      1.980308    0.00   0.000038408  -0.000011367  -0.000004666
 H     -0.673959      0.779236     -1.908180    0.00   0.000024020   0.000008720   0.000002416
 O     -0.597740     -1.614113      1.429139    0.00  -0.000414752  -0.000520586  -0.001487896
 C     -1.860129     -1.671493     -1.301879    0.00   0.000275305  -0.000186416   0.000140634
 H     -1.829061     -2.598949     -0.716020    0.00   0.000005643  -0.000043955  -0.000014916
 H     -2.813140     -1.652921     -1.841840    0.00   0.000005615  -0.000016165   0.000047630
 H     -1.058255     -1.744625     -2.052854    0.00   0.000043465   0.000013139   0.000002743
 H     -0.825217     -2.452772      0.957521    0.00   0.000161418   0.000115188   0.000073506
 O      0.829927     -0.608653     -0.100585    0.00   0.001389153   0.001131839  -0.001390926
 O      0.825467     -1.701723     -1.008829    0.00  -0.001121686  -0.000082702   0.003071623
 C      1.535240     -2.729762     -0.288842    0.00   0.000902110  -0.001787788   0.003292767
 H      2.536041     -2.432991      0.011499    0.00   0.000572881  -0.000369350   0.000976130
 O      0.930766     -3.749681     -0.104006    0.00  -0.004482097   0.002206980  -0.004058003
26
 Energy =      -0.190760294105
 C     -0.267272      2.002425      0.573012    0.00   0.000358748  -0.000055805  -0.000136062
 C     -1.482408      2.083561     -0.360748    0.00   0.000289679  -0.000023815  -0.000085155
 C     -1.573507      0.846233     -1.263010    0.00   0.000304123   0.000017225   0.000018009
 C     -1.697740     -0.436101     -0.421934    0.00   0.000359266  -0.000092173   0.000050108
 C     -0.489115     -0.520383      0.534584    0.00   0.000505786  -0.000165333  -0.000340419
 C     -0.275155      0.722974      1.413407    0.00   0.000399024  -0.000121350  -0.000101776
 H     -2.436817      0.933248     -1.947512    0.00   0.000026070   0.000001163   0.000006261
 H     -2.410554      2.190304      0.232899    0.00   0.000028154  -0.000005710  -0.000008283
 H     -1.413888      2.996066     -0.983165    0.00   0.000021817   0.000002343  -0.000009244
 H      0.664800      2.038989     -0.028414    0.00   0.000028904  -0.000003373  -0.000011221
 H     -0.239583      2.885024      1.239582    0.00   0.000033820  -0.000001583  -0.000015997
 H     -2.605547     -0.352819      0.232778    0.00   0.000030747  -0.000014239   0.000003402
 H     -1.077637      0.743802      2.178857    0.00   0.000036746  -0.000004852  -0.000010210
 H      0.672533      0.618893      1.980085    0.00   0.000036391  -0.000011494  -0.000004303
 H     -0.673392      0.778599     -1.908065    0.00   0.000022340   0.000007861   0.000001799
 O     -0.600865     -1.614621      1.430684    0.00  -0.000397818  -0.000504533  -0.001422317
 C     -1.859916     -1.672225     -1.302572    0.00   0.000256615  -0.000175555   0.000131752
 H     -1.830341     -2.599674     -0.716685    0.00   0.000003707  -0.000042689  -0.000015962
 H     -2.812392     -1.652726     -1.843428    0.00   0.000004977  -0.000015687   0.000047367
 H     -1.057289     -1.745840     -2.052630    0.00   0.000042012   0.000014917   0.000001977
 H     -0.818552     -2.455589      0.958483    0.00   0.000154256   0.000113159   0.000069512
 O      0.830879     -0.611733     -0.096856    0.00   0.001346465   0.001063940  -0.001368692
 O      0.828655     -1.697497     -1.013523    0.00  -0.001070451   0.000010315   0.002990598
 C      1.538520     -2.731251     -0.299258    0.00   0.000919567  -0.001813228   0.003131375
 H      2.550014     -2.446640     -0.024311    0.00   0.000574874  -0.000380261   0.000943512
 O      0.925048     -3.741607     -0.094014    0.00  -0.004315817   0.002200757  -0.003866028
26
 Energy =       -0.19035330101
 C     -0.267203      2.001292      0.573139    0.00   0.000333497  -0.000055399  -0.000127749
 C     -1.482267      2.082692     -0.360654    0.00   0.000265385  -0.000024012  -0.000079367
 C     -1.573084      0.845449     -1.263049    0.00   0.000278437   0.000012861   0.000012473
 C     -1.697414     -0.437091     -0.422273    0.00   0.000328421  -0.000092790   0.000039226
 C     -0.489469     -0.522192      0.534921    0.00   0.000471321  -0.000166663  -0.000331255
 C     -0.275113      0.721711      1.413320    0.00   0.000370816  -0.000120448  -0.000097248
 H     -2.436290      0.932502     -1.947680    0.00   0.000023729   0.000000884   0.000005588
 H     -2.410467      2.189270      0.232926    0.00   0.000025597  -0.000005342  -0.000007604
 H     -1.413722      2.995294     -0.982911    0.00   0.000020142   0.000002090  -0.000008418
 H      0.664883      2.037907     -0.028256    0.00   0.000027006  -0.000003436  -0.000010580
 H     -0.239486      2.883750      1.239896    0.00   0.000031605  -0.000001565  -0.000014946
 H     -2.605387     -0.353897      0.232295    0.00   0.000028050  -0.000014423   0.000002688
 H     -1.077447      0.742475      2.178945    0.00   0.000034029  -0.000004777  -0.000009681
 H      0.672675      0.617562      1.979846    0.00   0.000034211  -0.000011506  -0.000004003
 H     -0.672862      0.777980     -1.907949    0.00   0.000020650   0.000007040   0.000001223
 O     -0.603961     -1.615126      1.432198    0.00  -0.000378991  -0.000484749  -0.001349025
 C     -1.859712     -1.672929     -1.303244    0.00   0.000238022  -0.000163665   0.000122939
 H     -1.831681     -2.600359     -0.717311    0.00   0.000001974  -0.000041094  -0.000016713
 H     -2.811623     -1.652504     -1.845046    0.00   0.000004474  -0.000015093   0.000046703
 H     -1.056291     -1.747039     -2.052333    0.00   0.000040307   0.000016442   0.000001325
 H     -0.811902     -2.458340      0.959529    0.00   0.000146792   0.000110501   0.000065665
 O      0.831750     -0.614846     -0.093147    0.00   0.001289797   0.000990744  -0.001335220
 O      0.832029     -1.693241     -1.018093    0.00  -0.001013938   0.000102476   0.002890248
 C      1.541580     -2.732999     -0.309717    0.00   0.000926505  -0.001825857   0.002956197
 H      2.563192     -2.461243     -0.060629    0.00   0.000572838  -0.000386953   0.000907126
 O      0.919562     -3.733486     -0.084046    0.00  -0.004120675   0.002174735  -0.003659593
26
 Energy =      -0.189963333241
 C     -0.267146      2.000191      0.573258    0.00   0.000307230  -0.000054304  -0.000119037
 C     -1.482139      2.081861     -0.360566    0.00   0.000241067  -0.000023939  -0.000073341
 C     -1.572695      0.844697     -1.263085    0.00   0.000252723   0.000008790   0.000007523
 C     -1.697135     -0.438045     -0.422599    0.00   0.000297257  -0.000092767   0.000028811
 C     -0.489866     -0.523966      0.535254    0.00   0.000434486  -0.000166448  -0.000320071
 C     -0.275094      0.720483      1.413228    0.00   0.000341059  -0.000118184  -0.000092673
 H     -2.435799      0.931794     -1.947841    0.00   0.000021394   0.000000626   0.000004970
 H     -2.410393      2.188291      0.232950    0.00   0.000023067  -0.000004965  -0.000006921
 H     -1.413562      2.994551     -0.982671    0.00   0.000018442   0.000001833  -0.000007597
 H      0.664954      2.036854     -0.028106    0.00   0.000025032  -0.000003432  -0.000009907
 H     -0.239393      2.882512      1.240199    0.00   0.000029259  -0.000001537  -0.000013831
 H     -2.605283     -0.354939      0.231811    0.00   0.000025335  -0.000014543   0.000002012
 H     -1.077277      0.741195      2.179028    0.00   0.000031175  -0.000004642  -0.000009143
 H      0.672796      0.616256      1.979595    0.00   0.000031883  -0.000011393  -0.000003742
 H     -0.672369      0.777379     -1.907830    0.00   0.000018951   0.000006257   0.000000701
 O     -0.607024     -1.615623      1.433680    0.00  -0.000358313  -0.000461268  -0.001268327
 C     -1.859515     -1.673609     -1.303896    0.00   0.000219504  -0.000150898   0.000114160
 H     -1.833075     -2.601007     -0.717900    0.00   0.000000458  -0.000039178  -0.000017150
 H     -2.810830     -1.652262     -1.846693    0.00   0.000004083  -0.000014387   0.000045607
 H     -1.055258     -1.748220     -2.051969    0.00   0.000038343   0.000017662   0.000000789
 H     -0.805249     -2.461028      0.960657    0.00   0.000138999   0.000107158   0.000061911
 O      0.832533     -0.617977     -0.089464    0.00   0.001219750   0.000913015  -0.001290139
 O      0.835598     -1.688957     -1.022522    0.00  -0.000952174   0.000191103   0.002769977
 C      1.544406     -2.735007     -0.320223    0.00   0.000921324  -0.001823475   0.002767549
 H      2.575521     -2.476802     -0.097467    0.00   0.000566231  -0.000388676   0.000866932
 O      0.914313     -3.725333     -0.074107    0.00  -0.003896567   0.002127591  -0.003439066
26
 Energy =      -0.189592767718
 C     -0.267102      1.999127      0.573369    0.00   0.000280132  -0.000052513  -0.000109915
 C     -1.482025      2.081067     -0.360485    0.00   0.000216859  -0.000023568  -0.000067113
 C     -1.572339      0.843976     -1.263116    0.00   0.000227118   0.000005082   0.000003212
 C     -1.696904     -0.438963     -0.422913    0.00   0.000266033  -0.000091936   0.000019096
 C     -0.490305     -0.525703      0.535582    0.00   0.000395704  -0.000164483  -0.000306622
 C     -0.275101      0.719291      1.413130    0.00   0.000310089  -0.000114498  -0.000087857
 H     -2.435341      0.931124     -1.947995    0.00   0.000019083   0.000000391   0.000004401
 H     -2.410327      2.187364      0.232971    0.00   0.000020581  -0.000004577  -0.000006239
 H     -1.413409      2.993841     -0.982447    0.00   0.000016725   0.000001582  -0.000006785
 H      0.665015      2.035827     -0.027964    0.00   0.000022984  -0.000003363  -0.000009200
 H     -0.239305      2.881311      1.240490    0.00   0.000026798  -0.000001497  -0.000012664
 H     -2.605235     -0.355946      0.231322    0.00   0.000022629  -0.000014560   0.000001387
 H     -1.077127      0.739963      2.179108    0.00   0.000028221  -0.000004444  -0.000008586
 H      0.672895      0.614972      1.979331    0.00   0.000029424  -0.000011144  -0.000003503
 H     -0.671910      0.776794     -1.907709    0.00   0.000017243   0.000005509   0.000000240
 O     -0.610050     -1.616112      1.435128    0.00  -0.000335814  -0.000434142  -0.001180541
 C     -1.859320     -1.674266     -1.304529    0.00   0.000201024  -0.000137414   0.000105374
 H     -1.834516     -2.601620     -0.718452    0.00  -0.000000829  -0.000036951  -0.000017265
 H     -2.810013     -1.652003     -1.848367    0.00   0.000003780  -0.000013569   0.000044049
 H     -1.054194     -1.749382     -2.051538    0.00   0.000036118   0.000018524   0.000000370
 H     -0.798571     -2.463656      0.961860    0.00   0.000130830   0.000103053   0.000058180
 O      0.833222     -0.621111     -0.085813    0.00   0.001137233   0.000831601  -0.001233117
 O      0.839367     -1.684647     -1.026798    0.00  -0.000885311   0.000273118   0.002629182
 C      1.546987     -2.737272     -0.330776    0.00   0.000902515  -0.001803547   0.002565893
 H      2.586947     -2.493315     -0.134830    0.00   0.000554524  -0.000384574   0.000822924
 O      0.909306     -3.717159     -0.064204    0.00  -0.003643691   0.002057921  -0.003204903
26
 Energy =       -0.18924409583
 C     -0.267068      1.998097      0.573472    0.00   0.000252385  -0.000050032  -0.000100379
 C     -1.481922      2.080310     -0.360409    0.00   0.000192881  -0.000022869  -0.000060718
 C     -1.572016      0.843286     -1.263143    0.00   0.000201745   0.000001798  -0.000000414
 C     -1.696720     -0.439845     -0.423215    0.00   0.000235028  -0.000090094   0.000010309
 C     -0.490789     -0.527402      0.535908    0.00   0.000355442  -0.000160589  -0.000290621
 C     -0.275131      0.718136      1.413029    0.00   0.000278248  -0.000109346  -0.000082621
 H     -2.434915      0.930490     -1.948145    0.00   0.000016808   0.000000184   0.000003875
 H     -2.410270      2.186488      0.232987    0.00   0.000018154  -0.000004177  -0.000005561
 H     -1.413262      2.993160     -0.982237    0.00   0.000014996   0.000001337  -0.000005992
 H      0.665065      2.034827     -0.027828    0.00   0.000020867  -0.000003231  -0.000008453
 H     -0.239223      2.880148      1.240768    0.00   0.000024243  -0.000001441  -0.000011452
 H     -2.605245     -0.356918      0.230829    0.00   0.000019951  -0.000014431   0.000000824
 H     -1.076997      0.738779      2.179190    0.00   0.000025206  -0.000004184  -0.000007998
 H      0.672972      0.613711      1.979057    0.00   0.000026846  -0.000010749  -0.000003268
 H     -0.671486      0.776225     -1.907586    0.00   0.000015528   0.000004796  -0.000000147
 O     -0.613037     -1.616592      1.436542    0.00  -0.000311521  -0.000403435  -0.001086021
 C     -1.859127     -1.674900     -1.305141    0.00   0.000182521  -0.000123382   0.000096520
 H     -1.836000     -2.602197     -0.718969    0.00  -0.000001874  -0.000034420  -0.000017042
 H     -2.809170     -1.651732     -1.850064    0.00   0.000003539  -0.000012641   0.000041999
 H     -1.053098     -1.750522     -2.051047    0.00   0.000033629   0.000018979   0.000000063
 H     -0.791848     -2.466229      0.963137    0.00   0.000122227   0.000098079   0.000054382
 O      0.833812     -0.624235     -0.082199    0.00   0.001043430   0.000747452  -0.001163876
 O      0.843346     -1.680314     -1.030910    0.00  -0.000813650   0.000345063   0.002467251
 C      1.549307     -2.739790     -0.341377    0.00   0.000868726  -0.001763217   0.002351882
 H      2.597407     -2.510772     -0.172721    0.00   0.000537225  -0.000373701   0.000775160
 O      0.904544     -3.708981     -0.054343    0.00  -0.003362580   0.001964250  -0.002957703
26
 Energy =       -0.18891992567
 C     -0.267045      1.997101      0.573569    0.00   0.000224171  -0.000046868  -0.000090436
 C     -1.481833      2.079586     -0.360339    0.00   0.000169241  -0.000021821  -0.000054192
 C     -1.571723      0.842623     -1.263168    0.00   0.000176726  -0.000000997  -0.000003316
 C     -1.696585     -0.440696     -0.423505    0.00   0.000204497  -0.000087060   0.000002669
 C     -0.491319     -0.529060      0.536231    0.00   0.000314171  -0.000154544  -0.000271800
 C     -0.275188      0.717019      1.412926    0.00   0.000245885  -0.000102702  -0.000076788
 H     -2.434519      0.929893     -1.948292    0.00   0.000014584   0.000000009   0.000003380
 H     -2.410223      2.185659      0.233001    0.00   0.000015794  -0.000003764  -0.000004892
 H     -1.413121      2.992509     -0.982042    0.00   0.000013264   0.000001103  -0.000005220
 H      0.665104      2.033852     -0.027698    0.00   0.000018688  -0.000003040  -0.000007662
 H     -0.239146      2.879023      1.241035    0.00   0.000021614  -0.000001367  -0.000010205
 H     -2.605312     -0.357858      0.230327    0.00   0.000017324  -0.000014111   0.000000338
 H     -1.076887      0.737646      2.179273    0.00   0.000022166  -0.000003866  -0.000007369
 H      0.673026      0.612473      1.978775    0.00   0.000024161  -0.000010200  -0.000003025
 H     -0.671092      0.775672     -1.907458    0.00   0.000013803   0.000004114  -0.000000454
 O     -0.615983     -1.617062      1.437921    0.00  -0.000285440  -0.000369239  -0.000985133
 C     -1.858934     -1.675514     -1.305734    0.00   0.000163933  -0.000108971   0.000087520
 H     -1.837520     -2.602741     -0.719451    0.00  -0.000002670  -0.000031598  -0.000016475
 H     -2.808304     -1.651453     -1.851782    0.00   0.000003332  -0.000011608   0.000039434
 H     -1.051972     -1.751640     -2.050498    0.00   0.000030877   0.000018986  -0.000000132
 H     -0.785057     -2.468747      0.964484    0.00   0.000113115   0.000092114   0.000050417
 O      0.834300     -0.627336     -0.078629    0.00   0.000939811   0.000661554  -0.001082212
 O      0.847542     -1.675961     -1.034844    0.00  -0.000737711   0.000403164   0.002283629
 C      1.551350     -2.742555     -0.352028    0.00   0.000818896  -0.001699334   0.002126416
 H      2.606833     -2.529154     -0.211134    0.00   0.000513921  -0.000355030   0.000723768
 O      0.900035     -3.700811     -0.044530    0.00  -0.003054153   0.001845077  -0.002698260
26
 Energy =      -0.188622979246
 C     -0.267033      1.996140      0.573658    0.00   0.000195673  -0.000043040  -0.000080101
 C     -1.481754      2.078896     -0.360275    0.00   0.000146031  -0.000020408  -0.000047566
 C     -1.571460      0.841987     -1.263191    0.00   0.000152167  -0.000003246  -0.000005477
 C     -1.696496     -0.441513     -0.423785    0.00   0.000174683  -0.000082644  -0.000003623
 C     -0.491894     -0.530677      0.536552    0.00   0.000272369  -0.000146146  -0.000249891
 C     -0.275267      0.715939      1.412823    0.00   0.000213329  -0.000094570  -0.000070212
 H     -2.434152      0.929331     -1.948436    0.00   0.000012426  -0.000000132   0.000002913
 H     -2.410185      2.184876      0.233012    0.00   0.000013512  -0.000003336  -0.000004235
 H     -1.412987      2.991884     -0.981859    0.00   0.000011535   0.000000884  -0.000004473
 H      0.665135      2.032905     -0.027572    0.00   0.000016451  -0.000002794  -0.000006826
 H     -0.239075      2.877937      1.241289    0.00   0.000018930  -0.000001274  -0.000008932
 H     -2.605436     -0.358769      0.229816    0.00   0.000014770  -0.000013557  -0.000000061
 H     -1.076797      0.736562      2.179358    0.00   0.000019136  -0.000003498  -0.000006689
 H      0.673060      0.611257      1.978486    0.00   0.000021382  -0.000009490  -0.000002758
 H     -0.670729      0.775135     -1.907330    0.00   0.000012074   0.000003463  -0.000000676
 O     -0.618887     -1.617520      1.439265    0.00  -0.000257566  -0.000331651  -0.000878283
 C     -1.858736     -1.676108     -1.306309    0.00   0.000145168  -0.000094363   0.000078287
 H     -1.839071     -2.603254     -0.719900    0.00  -0.000003208  -0.000028491  -0.000015557
 H     -2.807412     -1.651168     -1.853518    0.00   0.000003134  -0.000010474   0.000036334
 H     -1.050816     -1.752736     -2.049895    0.00   0.000027865   0.000018510  -0.000000224
 H     -0.778177     -2.471215      0.965900    0.00   0.000103408   0.000084998   0.000046170
 O      0.834683     -0.630401     -0.075106    0.00   0.000828071   0.000574956  -0.000988010
 O      0.851962     -1.671593     -1.038591    0.00  -0.000658270   0.000443379   0.002077843
 C      1.553100     -2.745557     -0.362726    0.00   0.000752385  -0.001608522   0.001890701
 H      2.615155     -2.548432     -0.250059    0.00   0.000484308  -0.000327469   0.000668974
 O      0.895782     -3.692665     -0.034770    0.00  -0.002719763   0.001698915  -0.002427629
26
 Energy =      -0.188356083196
 C     -0.267031      1.995211      0.573741    0.00   0.000167053  -0.000038577  -0.000069392
 C     -1.481686      2.078238     -0.360217    0.00   0.000123332  -0.000018618  -0.000040872
 C     -1.571224      0.841379     -1.263212    0.00   0.000128158  -0.000004901  -0.000006880
 C     -1.696453     -0.442299     -0.424055    0.00   0.000145809  -0.000076672  -0.000008402
 C     -0.492513     -0.532252      0.536870    0.00   0.000230499  -0.000135200  -0.000224645
 C     -0.275371      0.714899      1.412720    0.00   0.000180909  -0.000084971  -0.000062775
 H     -2.433811      0.928804     -1.948578    0.00   0.000010345  -0.000000235   0.000002465
 H     -2.410154      2.184136      0.233019    0.00   0.000011315  -0.000002893  -0.000003589
 H     -1.412860      2.991285     -0.981689    0.00   0.000009816   0.000000684  -0.000003755
 H      0.665157      2.031982     -0.027450    0.00   0.000014169  -0.000002500  -0.000005940
 H     -0.239010      2.876889      1.241530    0.00   0.000016210  -0.000001159  -0.000007644
 H     -2.605619     -0.359651      0.229294    0.00   0.000012304  -0.000012725  -0.000000367
 H     -1.076726      0.735527      2.179446    0.00   0.000016148  -0.000003086  -0.000005951
 H      0.673073      0.610064      1.978191    0.00   0.000018516  -0.000008613  -0.000002458
 H     -0.670396      0.774612     -1.907199    0.00   0.000010342   0.000002844  -0.000000806
 O     -0.621748     -1.617966      1.440575    0.00  -0.000227884  -0.000290790  -0.000765915
 C     -1.858535     -1.676684     -1.306866    0.00   0.000126134  -0.000079732   0.000068715
 H     -1.840649     -2.603736     -0.720318    0.00  -0.000003485  -0.000025114  -0.000014284
 H     -2.806496     -1.650882     -1.855268    0.00   0.000002915  -0.000009247   0.000032686
 H     -1.049636     -1.753809     -2.049245    0.00   0.000024598   0.000017525  -0.000000219
 H     -0.771186     -2.473634      0.967389    0.00   0.000093016   0.000076547   0.000041519
 O      0.834958     -0.633419     -0.071635    0.00   0.000710096   0.000488708  -0.000881293
 O      0.856613     -1.667217     -1.042142    0.00  -0.000576397   0.000461535   0.001849562
 C      1.554538     -2.748784     -0.373472    0.00   0.000669079  -0.001487258   0.001646275
 H      2.622300     -2.568568     -0.289478    0.00   0.000448239  -0.000289910   0.000611128
 O      0.891792     -3.684554     -0.025071    0.00  -0.002361237   0.001524358  -0.002147162
26
 Energy =       -0.18812215132
 C     -0.267037      1.994316      0.573819    0.00   0.000138478  -0.000033506  -0.000058340
 C     -1.481629      2.077608     -0.360164    0.00   0.000101197  -0.000016447  -0.000034139
 C     -1.571014      0.840795     -1.263231    0.00   0.000104780  -0.000005920  -0.000007535
 C     -1.696453     -0.443055     -0.424316    0.00   0.000118059  -0.000068993  -0.000011537
 C     -0.493177     -0.533785      0.537186    0.00   0.000188979  -0.000121528  -0.000195863
 C     -0.275498      0.713896      1.412618    0.00   0.000148905  -0.000073958  -0.000054404
 H     -2.433497      0.928309     -1.948717    0.00   0.000008353  -0.000000300   0.000002029
 H     -2.410131      2.183434      0.233025    0.00   0.000009207  -0.000002434  -0.000002959
 H     -1.412739      2.990712     -0.981532    0.00   0.000008112   0.000000506  -0.000003065
 H      0.665173      2.031086     -0.027331    0.00   0.000011847  -0.000002163  -0.000005010
 H     -0.238950      2.875877      1.241760    0.00   0.000013476  -0.000001020  -0.000006347
 H     -2.605855     -0.360505      0.228760    0.00   0.000009943  -0.000011577  -0.000000570
 H     -1.076673      0.734539      2.179538    0.00   0.000013226  -0.000002639  -0.000005149
 H      0.673066      0.608891      1.977890    0.00   0.000015575  -0.000007569  -0.000002119
 H     -0.670089      0.774105     -1.907067    0.00   0.000008614   0.000002256  -0.000000845
 O     -0.624565     -1.618399      1.441849    0.00  -0.000196347  -0.000246786  -0.000648513
 C     -1.858325     -1.677244     -1.307408    0.00   0.000106726  -0.000065262   0.000058689
 H     -1.842249     -2.604191     -0.720705    0.00  -0.000003500  -0.000021474  -0.000012659
 H     -2.805557     -1.650599     -1.857031    0.00   0.000002650  -0.000007933   0.000028481
 H     -1.048433     -1.754857     -2.048553    0.00   0.000021082   0.000016018  -0.000000128
 H     -0.764064     -2.476009      0.968949    0.00   0.000081820   0.000066550   0.000036340
 O      0.835125     -0.636379     -0.068220    0.00   0.000587921   0.000403832  -0.000762239
 O      0.861500     -1.662838     -1.045488    0.00  -0.000493490   0.000453423   0.001598669
 C      1.555648     -2.752222     -0.384264    0.00   0.000569549  -0.001332000   0.001395099
 H      2.628193     -2.589514     -0.329367    0.00   0.000405760  -0.000241253   0.000550702
 O      0.888068     -3.676489     -0.015439    0.00  -0.001980922   0.001320176  -0.001858588
26
 Energy =      -0.187924157859
 C     -0.267052      1.993451      0.573892    0.00   0.000110090  -0.000027868  -0.000046986
 C     -1.481581      2.077008     -0.360116    0.00   0.000079674  -0.000013892  -0.000027389
 C     -1.570829      0.840236     -1.263250    0.00   0.000082093  -0.000006270  -0.000007461
 C     -1.696494     -0.443783     -0.424569    0.00   0.000091573  -0.000059489  -0.000012954
 C     -0.493883     -0.535277      0.537500    0.00   0.000148180  -0.000104981  -0.000163403
 C     -0.275645      0.712930      1.412517    0.00   0.000117567  -0.000061594  -0.000045066
 H     -2.433208      0.927847     -1.948855    0.00   0.000006459  -0.000000325   0.000001606
 H     -2.410116      2.182771      0.233029    0.00   0.000007190  -0.000001960  -0.000002346
 H     -1.412626      2.990163     -0.981386    0.00   0.000006427   0.000000352  -0.000002405
 H      0.665181      2.030215     -0.027216    0.00   0.000009500  -0.000001794  -0.000004034
 H     -0.238894      2.874903      1.241976    0.00   0.000010744  -0.000000857  -0.000005046
 H     -2.606143     -0.361336      0.228214    0.00   0.000007697  -0.000010082  -0.000000670
 H     -1.076637      0.733597      2.179635    0.00   0.000010392  -0.000002167  -0.000004281
 H      0.673040      0.607738      1.977584    0.00   0.000012566  -0.000006356  -0.000001737
 H     -0.669808      0.773613     -1.906934    0.00   0.000006898   0.000001703  -0.000000795
 O     -0.627338     -1.618818      1.443087    0.00  -0.000162905  -0.000199804  -0.000526605
 C     -1.858109     -1.677787     -1.307932    0.00   0.000086833  -0.000051135   0.000048070
 H     -1.843863     -2.604621     -0.721064    0.00  -0.000003254  -0.000017585  -0.000010683
 H     -2.804595     -1.650321     -1.858799    0.00   0.000002313  -0.000006542   0.000023716
 H     -1.047212     -1.755882     -2.047825    0.00   0.000017325   0.000013989   0.000000035
 H     -0.756792     -2.478339      0.970585    0.00   0.000069714   0.000054777   0.000030509
 O      0.835183     -0.639271     -0.064862    0.00   0.000463659   0.000321301  -0.000631230
 O      0.866626     -1.658465     -1.048623    0.00  -0.000411249   0.000414990   0.001325282
 C      1.556414     -2.755855     -0.395098    0.00   0.000455108  -0.001139300   0.001139552
 H      2.632763     -2.611213     -0.369693    0.00   0.000357146  -0.000180497   0.000488309
 O      0.884613     -3.668482     -0.005881    0.00  -0.001581741   0.001085383  -0.001563989
26
 Energy =      -0.187765100227
 C     -0.267075      1.992617      0.573958    0.00   0.000082013  -0.000021712  -0.000035359
 C     -1.481541      2.076433     -0.360072    0.00   0.000058773  -0.000010960  -0.000020659
 C     -1.570667      0.839700     -1.263269    0.00   0.000060134  -0.000005931  -0.000006684
 C     -1.696574     -0.444483     -0.424817    0.00   0.000066433  -0.000048079  -0.000012646
 C     -0.494630     -0.536729      0.537812    0.00   0.000108390  -0.000085447  -0.000127217
 C     -0.275813      0.712000      1.412419    0.00   0.000087078  -0.000047973  -0.000034807
 H     -2.432942      0.927415     -1.948991    0.00   0.000004671  -0.000000309   0.000001194
 H     -2.410107      2.182141      0.233030    0.00   0.000005266  -0.000001470  -0.000001749
 H     -1.412520      2.989637     -0.981248    0.00   0.000004766   0.000000225  -0.000001777
 H      0.665183      2.029368     -0.027104    0.00   0.000007145  -0.000001401  -0.000003017
 H     -0.238843      2.873964      1.242182    0.00   0.000008029  -0.000000667  -0.000003745
 H     -2.606483     -0.362143      0.227656    0.00   0.000005568  -0.000008212  -0.000000664
 H     -1.076617      0.732698      2.179735    0.00   0.000007654  -0.000001676  -0.000003345
 H      0.672997      0.606606      1.977275    0.00   0.000009490  -0.000004980  -0.000001314
 H     -0.669554      0.773138     -1.906802    0.00   0.000005202   0.000001193  -0.000000661
 O     -0.630067     -1.619223      1.444289    0.00  -0.000127489  -0.000150022  -0.000400756
 C     -1.857882     -1.678317     -1.308441    0.00   0.000066334  -0.000037525   0.000036702
 H     -1.845484     -2.605026     -0.721396    0.00  -0.000002757  -0.000013455  -0.000008360
 H     -2.803617     -1.650053     -1.860569    0.00   0.000001891  -0.000005076   0.000018389
 H     -1.045979     -1.756881     -2.047070    0.00   0.000013329   0.000011443   0.000000252
 H     -0.749351     -2.480629      0.972299    0.00   0.000056589   0.000040961   0.000023913
 O      0.835139     -0.642090     -0.061565    0.00   0.000339485   0.000241960  -0.000488923
 O      0.871996     -1.654106     -1.051542    0.00  -0.000331653   0.000342538   0.001029876
 C      1.556819     -2.759663     -0.405971    0.00   0.000328032  -0.000906214   0.000882453
 H      2.635937     -2.633599     -0.410416    0.00   0.000302924  -0.000106632   0.000424754
 O      0.881430     -3.660543      0.003598    0.00  -0.001167296   0.000819423  -0.001265849
26
 Energy =      -0.187647958122
 C     -0.267105      1.991812      0.574019    0.00   0.000054337  -0.000015086  -0.000023493
 C     -1.481512      2.075883     -0.360032    0.00   0.000038451  -0.000007672  -0.000014001
 C     -1.570527      0.839185     -1.263288    0.00   0.000038905  -0.000004865  -0.000005238
 C     -1.696691     -0.445157     -0.425059    0.00   0.000042660  -0.000034691  -0.000010642
 C     -0.495414     -0.538143      0.538120    0.00   0.000069938  -0.000062780  -0.000087596
 C     -0.276000      0.711104      1.412322    0.00   0.000057454  -0.000033234  -0.000023679
 H     -2.432698      0.927012     -1.949127    0.00   0.000002991  -0.000000262   0.000000807
 H     -2.410104      2.181542      0.233033    0.00   0.000003434  -0.000000965  -0.000001182
 H     -1.412425      2.989133     -0.981119    0.00   0.000003119   0.000000126  -0.000001185
 H      0.665178      2.028542     -0.026995    0.00   0.000004805  -0.000001009  -0.000001968
 H     -0.238794      2.873059      1.242376    0.00   0.000005345  -0.000000449  -0.000002427
 H     -2.606869     -0.362928      0.227085    0.00   0.000003547  -0.000005950  -0.000000554
 H     -1.076614      0.731841      2.179839    0.00   0.000005013  -0.000001194  -0.000002337
 H      0.672935      0.605493      1.976965    0.00   0.000006344  -0.000003459  -0.000000869
 H     -0.669323      0.772680     -1.906671    0.00   0.000003546   0.000000743  -0.000000442
 O     -0.632755     -1.619614      1.445453    0.00  -0.000088799  -0.000098852  -0.000271423
 C     -1.857646     -1.678834     -1.308936    0.00   0.000045146  -0.000024707   0.000024364
 H     -1.847097     -2.605408     -0.721700    0.00  -0.000002148  -0.000009085  -0.000005550
 H     -2.802629     -1.649805     -1.862324    0.00   0.000001445  -0.000003361   0.000012507
 H     -1.044744     -1.757849     -2.046297    0.00   0.000009032   0.000008403   0.000000314
 H     -0.741728     -2.482876      0.974096    0.00   0.000041160   0.000025854   0.000016435
 O      0.834993     -0.644828     -0.058330    0.00   0.000217243   0.000166884  -0.000336325
 O      0.877612     -1.649773     -1.054243    0.00  -0.000256136   0.000232680   0.000713925
 C      1.556847     -2.763627     -0.416875    0.00   0.000192306  -0.000627587   0.000628037
 H      2.637640     -2.656606     -0.451491    0.00   0.000242646  -0.000022291   0.000357956
 O      0.878523     -3.652677      0.012990    0.00  -0.000741783   0.000522809  -0.000965436
26
 Energy =      -0.187575594586
 C     -0.267093      1.991032      0.574033    0.00   0.000027202  -0.000005170  -0.000006603
 C     -1.481507      2.075351     -0.359965    0.00   0.000018617  -0.000005181  -0.000005605
 C     -1.570409      0.838706     -1.263310    0.00   0.000018955  -0.000007509  -0.000001550
 C     -1.696917     -0.445770     -0.425267    0.00   0.000012189  -0.000021861  -0.000021207
 C     -0.496268     -0.539529      0.538409    0.00   0.000021177  -0.000034452  -0.000045010
 C     -0.276216      0.710241      1.412194    0.00   0.000028756  -0.000017673  -0.000011494
 H     -2.432393      0.926669     -1.949361    0.00   0.000001925  -0.000000408   0.000004523
 H     -2.410075      2.180860      0.233166    0.00   0.000003874   0.000001763  -0.000001983
 H     -1.412495      2.988676     -0.980925    0.00   0.000000348  -0.000002185  -0.000002548
 H      0.665201      2.027721     -0.026950    0.00   0.000001829   0.000001004  -0.000000809
 H     -0.238681      2.872184      1.242516    0.00   0.000001900  -0.000001103  -0.000002534
 H     -2.607362     -0.363569      0.226521    0.00  -0.000001992  -0.000002612   0.000002486
 H     -1.076711      0.731093      2.179839    0.00  -0.000000723  -0.000002728   0.000000260
 H      0.672788      0.604349      1.976704    0.00   0.000004590  -0.000001706  -0.000003316
 H     -0.669060      0.772252     -1.906454    0.00  -0.000001900   0.000001555  -0.000004108
 O     -0.635375     -1.620023      1.446546    0.00  -0.000044269  -0.000039018  -0.000134237
 C     -1.857447     -1.679339     -1.309339    0.00   0.000024027  -0.000010893   0.000012338
 H     -1.848426     -2.605769     -0.721899    0.00  -0.000000173  -0.000003513  -0.000002152
 H     -2.801800     -1.649759     -1.863790    0.00   0.000000562  -0.000001839   0.000005812
 H     -1.043688     -1.758645     -2.045600    0.00   0.000003679   0.000003981  -0.000000142
 H     -0.734314     -2.485063      0.975915    0.00   0.000026155   0.000002777   0.000005457
 O      0.834729     -0.647543     -0.055156    0.00   0.000114555   0.000085832  -0.000182999
 O      0.883640     -1.645444     -1.056789    0.00  -0.000187945   0.000092493   0.000388634
 C      1.556514     -2.767728     -0.427763    0.00   0.000057858  -0.000324458   0.000383648
 H      2.637891     -2.680089     -0.492500    0.00   0.000179429   0.000091123   0.000296477
 O      0.875841     -3.644861      0.022283    0.00  -0.000310626   0.000201781  -0.000673339
26
 Energy =      -0.187551122136
 C     -0.220478      1.932657      0.585577    0.00   0.000001042   0.000002707   0.000005468
 C     -1.434830      2.017214     -0.348446    0.00   0.000000037  -0.000000982   0.000001206
 C     -1.523647      0.780598     -1.251839    0.00   0.000000165  -0.000004857   0.000001448
 C     -1.650449     -0.504030     -0.414011    0.00  -0.000008409  -0.000003077  -0.000014302
 C     -0.450479     -0.598494      0.550206    0.00  -0.000011463   0.000002295  -0.000000261
 C     -0.229776      0.651789      1.423592    0.00   0.000000469  -0.000000477   0.000000681
 H     -2.385527      0.868689     -1.938007    0.00   0.000000433  -0.000000282   0.000004084
 H     -2.363423      2.122690      0.244649    0.00   0.000002256   0.000002287  -0.000001448
 H     -1.365749      2.930578     -0.969329    0.00  -0.000001202  -0.000002228  -0.000002035
 H      0.711850      1.969328     -0.015346    0.00  -0.000000517   0.000001489   0.000000127
 H     -0.191995      2.813718      1.254183    0.00  -0.000000683  -0.000000859  -0.000001283
 H     -2.561192     -0.421952      0.237402    0.00  -0.000003696   0.000000699   0.000002838
 H     -1.030069      0.672687      2.191448    0.00  -0.000003137  -0.000002010   0.000001599
 H      0.719361      0.545641      1.987874    0.00   0.000001541   0.000000001  -0.000002886
 H     -0.622212      0.714192     -1.894835    0.00  -0.000003857   0.000001182  -0.000003948
 O     -0.591310     -1.677998      1.459134    0.00   0.000008394   0.000001833   0.000007347
 C     -1.810518     -1.737466     -1.298321    0.00   0.000001310   0.000001417  -0.000000150
 H     -1.803452     -2.663740     -0.710667    0.00   0.000001071   0.000001421   0.000000904
 H     -2.754076     -1.707140     -1.854109    0.00   0.000000127   0.000000269  -0.000000952
 H     -0.995741     -1.817229     -2.033271    0.00  -0.000001321  -0.000001347  -0.000001006
 H     -0.679441     -2.544855      0.989488    0.00  -0.000001629  -0.000003475  -0.000002836
 O      0.881007     -0.707697     -0.040586    0.00   0.000010914  -0.000010914  -0.000006075
 O      0.936516     -1.698855     -1.047441    0.00   0.000003209   0.000015608   0.000011784
 C      1.602169     -2.829605     -0.427262    0.00   0.000003847  -0.000005621   0.000003304
 H      2.682307     -2.761858     -0.522765    0.00   0.000000010   0.000002230  -0.000000919
 O      0.920318     -3.694872      0.042921    0.00   0.000001088   0.000002692  -0.000002688
26
 Energy =      -0.187576074297
 C     -0.267184      1.989556      0.574139    0.00  -0.000025375   0.000010291   0.000017336
 C     -1.481474      2.074352     -0.359909    0.00  -0.000018561   0.000003172   0.000007706
 C     -1.570207      0.837765     -1.263352    0.00  -0.000019071  -0.000001628   0.000003976
 C     -1.697303     -0.447015     -0.425737    0.00  -0.000027999   0.000015291  -0.000009574
 C     -0.498013     -0.542185      0.539019    0.00  -0.000047552   0.000024925   0.000050123
 C     -0.276658      0.708612      1.412007    0.00  -0.000024180   0.000017073   0.000014389
 H     -2.431983      0.925984     -1.949636    0.00  -0.000000808  -0.000000086   0.000003696
 H     -2.410093      2.179795      0.233149    0.00   0.000000605   0.000002814  -0.000000846
 H     -1.412325      2.987753     -0.980717    0.00  -0.000002703  -0.000002216  -0.000001434
 H      0.665176      2.026210     -0.026725    0.00  -0.000002759   0.000001892   0.000001389
 H     -0.238630      2.870527      1.242867    0.00  -0.000003247  -0.000000534  -0.000000051
 H     -2.608344     -0.365061      0.225300    0.00  -0.000005403   0.000003833   0.000003181
 H     -1.076749      0.729557      2.180073    0.00  -0.000005414  -0.000001735   0.000002562
 H      0.672612      0.602208      1.976060    0.00  -0.000001912   0.000002123  -0.000002288
 H     -0.668684      0.771407     -1.906200    0.00  -0.000004976   0.000000893  -0.000003380
 O     -0.640567     -1.620697      1.448739    0.00   0.000041881   0.000075445   0.000134724
 C     -1.856909     -1.680318     -1.310287    0.00  -0.000022395   0.000011655  -0.000016328
 H     -1.851800     -2.606438     -0.722419    0.00   0.000002358   0.000005978   0.000004327
 H     -2.799673     -1.649247     -1.867411    0.00  -0.000001337   0.000001356  -0.000008035
 H     -1.041116     -1.760539     -2.043925    0.00  -0.000005557  -0.000004114   0.000000551
 H     -0.717890     -2.489372      0.980078    0.00  -0.000009108  -0.000039962  -0.000014159
 O      0.833963     -0.652576     -0.048998    0.00  -0.000101640  -0.000046746   0.000162635
 O      0.896070     -1.636990     -1.061076    0.00  -0.000060256  -0.000308472  -0.000331647
 C      1.554501     -2.776208     -0.449744    0.00  -0.000254477   0.000431851  -0.000096083
 H      2.633401     -2.728353     -0.576013    0.00   0.000036580   0.000323985   0.000162933
 O      0.871474     -3.629609      0.040577    0.00   0.000563306  -0.000527085  -0.000085702
26
 Energy =      -0.187653631006
 C     -0.267271      1.988847      0.574217    0.00  -0.000050993   0.000015651   0.000024473
 C     -1.481441      2.073879     -0.359916    0.00  -0.000036479   0.000009017   0.000012557
 C     -1.570129      0.837295     -1.263368    0.00  -0.000037557   0.000007128   0.000005674
 C     -1.697462     -0.447654     -0.425992    0.00  -0.000038682   0.000039268   0.000011548
 C     -0.498894     -0.543477      0.539334    0.00  -0.000068301   0.000054912   0.000101735
 C     -0.276862      0.707834      1.411931    0.00  -0.000048852   0.000035768   0.000027375
 H     -2.431893      0.925634     -1.949664    0.00  -0.000002471   0.000000430  -0.000000770
 H     -2.410128      2.179404      0.233015    0.00  -0.000003133   0.000001151   0.000001054
 H     -1.412091      2.987281     -0.980699    0.00  -0.000003050   0.000000051   0.000001036
 H      0.665137      2.025500     -0.026577    0.00  -0.000004365   0.000000746   0.000002439
 H     -0.238656      2.869733      1.243061    0.00  -0.000004942   0.000000705   0.000002597
 H     -2.608822     -0.365911      0.224667    0.00  -0.000003389   0.000006864   0.000000731
 H     -1.076662      0.728758      2.180299    0.00  -0.000004496   0.000000707   0.000002141
 H      0.672611      0.601199      1.975656    0.00  -0.000006667   0.000004205   0.000001125
 H     -0.668585      0.770979     -1.906167    0.00  -0.000002609  -0.000000530   0.000000970
 O     -0.643153     -1.620965      1.449850    0.00   0.000078370   0.000133990   0.000263955
 C     -1.856587     -1.680804     -1.310810    0.00  -0.000048415   0.000020886  -0.000033578
 H     -1.853822     -2.606755     -0.722716    0.00   0.000003192   0.000009921   0.000007005
 H     -2.798414     -1.648810     -1.869508    0.00  -0.000002603   0.000002529  -0.000015427
 H     -1.039644     -1.761643     -2.042956    0.00  -0.000009375  -0.000007579   0.000002209
 H     -0.708871     -2.491498      0.982467    0.00  -0.000023874  -0.000063529  -0.000022217
 O      0.833487     -0.654928     -0.046001    0.00  -0.000210011  -0.000098348   0.000346920
 O      0.902499     -1.632858     -1.062883    0.00  -0.000017401  -0.000573802  -0.000714764
 C      1.552796     -2.780526     -0.460806    0.00  -0.000407329   0.000858369  -0.000333481
 H      2.628615     -2.752831     -0.618056    0.00  -0.000035144   0.000463694   0.000101682
 O      0.869753     -3.622143      0.049563    0.00   0.000988575  -0.000922203   0.000203013
26
 Energy =       -0.18778528914
 C     -0.267333      1.988168      0.574269    0.00  -0.000075402   0.000024229   0.000036016
 C     -1.481435      2.073419     -0.359900    0.00  -0.000053323   0.000013950   0.000019250
 C     -1.570055      0.836861     -1.263395    0.00  -0.000054368   0.000011721   0.000009192
 C     -1.697707     -0.448237     -0.426231    0.00  -0.000055375   0.000062238   0.000019964
 C     -0.499829     -0.544731      0.539632    0.00  -0.000098688   0.000090812   0.000155048
 C     -0.277109      0.707091      1.411841    0.00  -0.000071836   0.000055049   0.000041187
 H     -2.431721      0.925340     -1.949804    0.00  -0.000003533   0.000000695  -0.000001209
 H     -2.410150      2.178923      0.232992    0.00  -0.000004611   0.000001686   0.000001636
 H     -1.412014      2.986854     -0.980616    0.00  -0.000004410   0.000000135   0.000001614
 H      0.665117      2.024817     -0.026450    0.00  -0.000006554   0.000001213   0.000003529
 H     -0.238662      2.868972      1.243228    0.00  -0.000007341   0.000001038   0.000003749
 H     -2.609391     -0.366635      0.224016    0.00  -0.000004845   0.000010908   0.000001215
 H     -1.076700      0.728056      2.180427    0.00  -0.000006559   0.000001209   0.000003368
 H      0.672503      0.600169      1.975330    0.00  -0.000009943   0.000006374   0.000001692
 H     -0.668433      0.770595     -1.906053    0.00  -0.000003956  -0.000000760   0.000001431
 O     -0.645665     -1.621247      1.450877    0.00   0.000127452   0.000194519   0.000399347
 C     -1.856274     -1.681272     -1.311277    0.00  -0.000073464   0.000029821  -0.000050103
 H     -1.855564     -2.607048     -0.722951    0.00   0.000004553   0.000014722   0.000010828
 H     -2.797272     -1.648549     -1.871375    0.00  -0.000003906   0.000004393  -0.000022985
 H     -1.038313     -1.762578     -2.042083    0.00  -0.000014266  -0.000012149   0.000002300
 H     -0.699996     -2.493540      0.984899    0.00  -0.000044832  -0.000091052  -0.000034473
 O      0.832913     -0.657196     -0.043080    0.00  -0.000296413  -0.000156737   0.000527676
 O      0.909263     -1.628801     -1.064469    0.00   0.000014025  -0.000869208  -0.001101141
 C      1.550683     -2.784912     -0.471838    0.00  -0.000554555   0.001331672  -0.000552950
 H      2.622150     -2.777586     -0.660170    0.00  -0.000103688   0.000613364   0.000046082
 O      0.868309     -3.614799      0.058432    0.00   0.001405838  -0.001339841   0.000477737
26
 Energy =      -0.187972404079
 C     -0.267396      1.987506      0.574312    0.00  -0.000099027   0.000032977   0.000047477
 C     -1.481435      2.072972     -0.359884    0.00  -0.000069816   0.000019172   0.000025803
 C     -1.569994      0.836438     -1.263424    0.00  -0.000070559   0.000017016   0.000012896
 C     -1.697970     -0.448806     -0.426471    0.00  -0.000071690   0.000086257   0.000028319
 C     -0.500780     -0.545967      0.539921    0.00  -0.000128016   0.000128088   0.000209103
 C     -0.277362      0.706369      1.411747    0.00  -0.000093781   0.000074478   0.000054596
 H     -2.431563      0.925063     -1.949942    0.00  -0.000004488   0.000001010  -0.000001561
 H     -2.410174      2.178454      0.232974    0.00  -0.000006033   0.000002240   0.000002190
 H     -1.411950      2.986439     -0.980536    0.00  -0.000005758   0.000000248   0.000002171
 H      0.665096      2.024146     -0.026332    0.00  -0.000008632   0.000001641   0.000004609
 H     -0.238666      2.868231      1.243384    0.00  -0.000009651   0.000001411   0.000004918
 H     -2.609979     -0.367351      0.223358    0.00  -0.000006321   0.000015156   0.000001707
 H     -1.076744      0.727371      2.180551    0.00  -0.000008625   0.000001710   0.000004578
 H      0.672387      0.599148      1.975001    0.00  -0.000013204   0.000008598   0.000002230
 H     -0.668298      0.770226     -1.905945    0.00  -0.000005188  -0.000000860   0.000001864
 O     -0.648155     -1.621511      1.451874    0.00   0.000177153   0.000257284   0.000532734
 C     -1.855951     -1.681737     -1.311735    0.00  -0.000099673   0.000038063  -0.000068094
 H     -1.857286     -2.607333     -0.723168    0.00   0.000006196   0.000019621   0.000014591
 H     -2.796128     -1.648314     -1.873218    0.00  -0.000005440   0.000006026  -0.000030874
 H     -1.037000     -1.763499     -2.041221    0.00  -0.000019229  -0.000016817   0.000002551
 H     -0.690870     -2.495538      0.987474    0.00  -0.000065195  -0.000122702  -0.000047426
 O      0.832289     -0.659373     -0.040215    0.00  -0.000371500  -0.000211968   0.000706709
 O      0.916254     -1.624824     -1.065849    0.00   0.000030130  -0.001199491  -0.001489615
 C      1.548125     -2.789311     -0.482862    0.00  -0.000687372   0.001842625  -0.000748620
 H      2.613959     -2.802409     -0.702245    0.00  -0.000169577   0.000772780  -0.000004253
 O      0.867133     -3.607549      0.067176    0.00   0.001805294  -0.001774562   0.000731397
26
 Energy =      -0.188215767103
 C     -0.267463      1.986856      0.574351    0.00  -0.000121842   0.000041907   0.000058702
 C     -1.481440      2.072534     -0.359871    0.00  -0.000085909   0.000024686   0.000032306
 C     -1.569946      0.836024     -1.263455    0.00  -0.000086153   0.000022873   0.000016649
 C     -1.698244     -0.449366     -0.426715    0.00  -0.000087748   0.000110963   0.000036275
 C     -0.501742     -0.547186      0.540201    0.00  -0.000156582   0.000166219   0.000262639
 C     -0.277619      0.705666      1.411649    0.00  -0.000114767   0.000094026   0.000067429
 H     -2.431423      0.924799     -1.950079    0.00  -0.000005357   0.000001364  -0.000001851
 H     -2.410202      2.177996      0.232957    0.00  -0.000007412   0.000002811   0.000002739
 H     -1.411893      2.986033     -0.980458    0.00  -0.000007065   0.000000400   0.000002725
 H      0.665073      2.023492     -0.026216    0.00  -0.000010598   0.000002042   0.000005661
 H     -0.238672      2.867505      1.243533    0.00  -0.000011876   0.000001817   0.000006087
 H     -2.610585     -0.368064      0.222690    0.00  -0.000007831   0.000019518   0.000002187
 H     -1.076793      0.726700      2.180671    0.00  -0.000010685   0.000002257   0.000005772
 H      0.672268      0.598139      1.974670    0.00  -0.000016418   0.000010834   0.000002756
 H     -0.668180      0.769872     -1.905846    0.00  -0.000006291  -0.000000854   0.000002262
 O     -0.650624     -1.621757      1.452842    0.00   0.000228699   0.000320900   0.000663360
 C     -1.855613     -1.682200     -1.312188    0.00  -0.000126753   0.000045494  -0.000087358
 H     -1.858997     -2.607609     -0.723372    0.00   0.000007904   0.000024528   0.000018386
 H     -2.794973     -1.648098     -1.875054    0.00  -0.000007113   0.000007610  -0.000038926
 H     -1.035694     -1.764414     -2.040368    0.00  -0.000024261  -0.000021464   0.000002759
 H     -0.681479     -2.497485      0.990214    0.00  -0.000086009  -0.000157296  -0.000060916
 O      0.831627     -0.661455     -0.037403    0.00  -0.000435813  -0.000264816   0.000881030
 O      0.923450     -1.620936     -1.067028    0.00   0.000028151  -0.001560434  -0.001874582
 C      1.545120     -2.793704     -0.493873    0.00  -0.000800747   0.002384929  -0.000918395
 H      2.604033     -2.827215     -0.744226    0.00  -0.000230072   0.000940735  -0.000046924
 O      0.866226     -3.600401      0.075790    0.00   0.002182549  -0.002221049   0.000959229
26
 Energy =      -0.188515539046
 C     -0.267533      1.986221      0.574386    0.00  -0.000143800   0.000050999   0.000069602
 C     -1.481449      2.072102     -0.359860    0.00  -0.000101605   0.000030481   0.000038772
 C     -1.569906      0.835619     -1.263490    0.00  -0.000101187   0.000029227   0.000020347
 C     -1.698527     -0.449918     -0.426966    0.00  -0.000103786   0.000136005   0.000043416
 C     -0.502710     -0.548389      0.540473    0.00  -0.000184708   0.000204508   0.000314553
 C     -0.277879      0.704978      1.411547    0.00  -0.000134855   0.000113559   0.000079468
 H     -2.431296      0.924546     -1.950213    0.00  -0.000006156   0.000001754  -0.000002080
 H     -2.410233      2.177548      0.232940    0.00  -0.000008760   0.000003398   0.000003291
 H     -1.411844      2.985636     -0.980385    0.00  -0.000008328   0.000000595   0.000003287
 H      0.665048      2.022854     -0.026104    0.00  -0.000012447   0.000002421   0.000006675
 H     -0.238682      2.866795      1.243675    0.00  -0.000014011   0.000002254   0.000007247
 H     -2.611202     -0.368777      0.222013    0.00  -0.000009404   0.000023908   0.000002633
 H     -1.076846      0.726038      2.180788    0.00  -0.000012753   0.000002869   0.000006936
 H      0.672144      0.597139      1.974338    0.00  -0.000019551   0.000013053   0.000003265
 H     -0.668078      0.769533     -1.905757    0.00  -0.000007258  -0.000000746   0.000002611
 O     -0.653078     -1.621983      1.453785    0.00   0.000281962   0.000385035   0.000790302
 C     -1.855262     -1.682662     -1.312640    0.00  -0.000154568   0.000052220  -0.000107772
 H     -1.860701     -2.607878     -0.723567    0.00   0.000009628   0.000029383   0.000022150
 H     -2.793805     -1.647898     -1.876887    0.00  -0.000008911   0.000009146  -0.000047046
 H     -1.034392     -1.765326     -2.039526    0.00  -0.000029329  -0.000025995   0.000002906
 H     -0.671813     -2.499375      0.993132    0.00  -0.000107021  -0.000194597  -0.000074683
 O      0.830936     -0.663441     -0.034643    0.00  -0.000489826  -0.000316714   0.001047486
 O      0.930838     -1.617142     -1.068012    0.00   0.000007452  -0.001945437  -0.002250210
 C      1.541661     -2.798077     -0.504865    0.00  -0.000890620   0.002951249  -0.001059484
 H      2.592367     -2.851919     -0.786051    0.00  -0.000283417   0.001114548  -0.000080960
 O      0.865589     -3.593356      0.084273    0.00   0.002533258  -0.002673124   0.001157287
26
 Energy =      -0.188871181157
 C     -0.267604      1.985596      0.574417    0.00  -0.000164858   0.000060214   0.000080104
 C     -1.481462      2.071678     -0.359850    0.00  -0.000116935   0.000036556   0.000045216
 C     -1.569875      0.835221     -1.263529    0.00  -0.000115712   0.000036015   0.000023881
 C     -1.698814     -0.450466     -0.427223    0.00  -0.000120103   0.000160966   0.000049301
 C     -0.503681     -0.549581      0.540734    0.00  -0.000212625   0.000242233   0.000363625
 C     -0.278143      0.704305      1.411440    0.00  -0.000154133   0.000132943   0.000090493
 H     -2.431183      0.924302     -1.950345    0.00  -0.000006896   0.000002181  -0.000002245
 H     -2.410267      2.177104      0.232924    0.00  -0.000010085   0.000004002   0.000003845
 H     -1.411803      2.985244     -0.980315    0.00  -0.000009544   0.000000836   0.000003866
 H      0.665021      2.022232     -0.025993    0.00  -0.000014174   0.000002783   0.000007640
 H     -0.238696      2.866096      1.243814    0.00  -0.000016050   0.000002722   0.000008394
 H     -2.611825     -0.369493      0.221329    0.00  -0.000011072   0.000028239   0.000003021
 H     -1.076902      0.725381      2.180898    0.00  -0.000014841   0.000003558   0.000008051
 H      0.672018      0.596149      1.974002    0.00  -0.000022578   0.000015227   0.000003745
 H     -0.667989      0.769208     -1.905678    0.00  -0.000008088  -0.000000540   0.000002893
 O     -0.655518     -1.622189      1.454704    0.00   0.000336676   0.000449331   0.000912663
 C     -1.854893     -1.683123     -1.313093    0.00  -0.000182973   0.000058381  -0.000129218
 H     -1.862398     -2.608143     -0.723756    0.00   0.000011320   0.000034127   0.000025816
 H     -2.792621     -1.647712     -1.878722    0.00  -0.000010818   0.000010629  -0.000055140
 H     -1.033093     -1.766239     -2.038695    0.00  -0.000034400  -0.000030324   0.000002978
 H     -0.661868     -2.501201      0.996245    0.00  -0.000127849  -0.000234326  -0.000088449
 O      0.830232     -0.665332     -0.031928    0.00  -0.000534137  -0.000369432   0.001203006
 O      0.938402     -1.613450     -1.068808    0.00  -0.000031433  -0.002346451  -0.002610579
 C      1.537750     -2.802411     -0.515828    0.00  -0.000953886   0.003533082  -0.001169568
 H      2.578969     -2.876439     -0.827653    0.00  -0.000328015   0.001291133  -0.000105550
 O      0.865220     -3.586414      0.092618    0.00   0.002853209  -0.003124084   0.001322211
26
 Energy =      -0.189281402211
 C     -0.267679      1.984980      0.574444    0.00  -0.000184970   0.000069512   0.000090132
 C     -1.481480      2.071256     -0.359844    0.00  -0.000131929   0.000042907   0.000051644
 C     -1.569852      0.834827     -1.263570    0.00  -0.000129790   0.000043172   0.000027139
 C     -1.699102     -0.451011     -0.427489    0.00  -0.000137004   0.000185406   0.000053464
 C     -0.504647     -0.550763      0.540982    0.00  -0.000240593   0.000278599   0.000408634
 C     -0.278406      0.703643      1.411329    0.00  -0.000172688   0.000152017   0.000100272
 H     -2.431081      0.924064     -1.950476    0.00  -0.000007596   0.000002640  -0.000002338
 H     -2.410306      2.176665      0.232906    0.00  -0.000011397   0.000004623   0.000004410
 H     -1.411769      2.984856     -0.980247    0.00  -0.000010710   0.000001123   0.000004459
 H      0.664992      2.021624     -0.025884    0.00  -0.000015770   0.000003131   0.000008549
 H     -0.238717      2.865408      1.243949    0.00  -0.000017991   0.000003221   0.000009525
 H     -2.612450     -0.370215      0.220636    0.00  -0.000012870   0.000032413   0.000003325
 H     -1.076961      0.724724      2.181002    0.00  -0.000016963   0.000004339   0.000009102
 H      0.671891      0.595166      1.973665    0.00  -0.000025462   0.000017324   0.000004190
 H     -0.667913      0.768897     -1.905610    0.00  -0.000008779  -0.000000231   0.000003095
 O     -0.657952     -1.622375      1.455600    0.00   0.000392552   0.000513391   0.001029574
 C     -1.854510     -1.683587     -1.313550    0.00  -0.000211818   0.000064134  -0.000151557
 H     -1.864087     -2.608402     -0.723940    0.00   0.000012934   0.000038698   0.000029316
 H     -2.791421     -1.647541     -1.880562    0.00  -0.000012814   0.000012052  -0.000063120
 H     -1.031796     -1.767157     -2.037878    0.00  -0.000039443  -0.000034375   0.000002964
 H     -0.651644     -2.502956      0.999568    0.00  -0.000148072  -0.000276105  -0.000101919
 O      0.829527     -0.667130     -0.029254    0.00  -0.000569628  -0.000424814   0.001344597
 O      0.946124     -1.609860     -1.069424    0.00  -0.000086818  -0.002754307  -0.002949667
 C      1.533383     -2.806694     -0.526757    0.00  -0.000988445   0.004120840  -0.001246921
 H      2.563852     -2.900698     -0.868964    0.00  -0.000362534   0.001467081  -0.000120118
 O      0.865115     -3.579573      0.100824    0.00   0.003138599  -0.003566793   0.001451251
26
 Energy =      -0.189744121853
 C     -0.267758      1.984371      0.574466    0.00  -0.000204078   0.000078850   0.000099610
 C     -1.481500      2.070836     -0.359839    0.00  -0.000146616   0.000049537   0.000058052
 C     -1.569833      0.834436     -1.263616    0.00  -0.000143494   0.000050629   0.000030010
 C     -1.699386     -0.451557     -0.427766    0.00  -0.000154804   0.000208843   0.000055440
 C     -0.505604     -0.551940      0.541216    0.00  -0.000268783   0.000312780   0.000448334
 C     -0.278670      0.702991      1.411210    0.00  -0.000190589   0.000170601   0.000108593
 H     -2.430992      0.923829     -1.950604    0.00  -0.000008275   0.000003130  -0.000002355
 H     -2.410347      2.176226      0.232888    0.00  -0.000012708   0.000005265   0.000004987
 H     -1.411742      2.984470     -0.980182    0.00  -0.000011826   0.000001461   0.000005077
 H      0.664963      2.021027     -0.025777    0.00  -0.000017228   0.000003470   0.000009390
 H     -0.238744      2.864727      1.244080    0.00  -0.000019827   0.000003752   0.000010634
 H     -2.613070     -0.370948      0.219936    0.00  -0.000014831   0.000036330   0.000003521
 H     -1.077022      0.724065      2.181096    0.00  -0.000019127   0.000005226   0.000010069
 H      0.671761      0.594191      1.973326    0.00  -0.000028171   0.000019312   0.000004592
 H     -0.667849      0.768598     -1.905555    0.00  -0.000009332   0.000000178   0.000003200
 O     -0.660385     -1.622539      1.456476    0.00   0.000449242   0.000576811   0.001140188
 C     -1.854109     -1.684054     -1.314013    0.00  -0.000240930   0.000069629  -0.000174645
 H     -1.865769     -2.608659     -0.724124    0.00   0.000014421   0.000043036   0.000032579
 H     -2.790205     -1.647381     -1.882408    0.00  -0.000014873   0.000013404  -0.000070889
 H     -1.030500     -1.768084     -2.037078    0.00  -0.000044426  -0.000038075   0.000002852
 H     -0.641138     -2.504632      1.003119    0.00  -0.000167249  -0.000319478  -0.000114771
 O      0.828837     -0.668838     -0.026616    0.00  -0.000597448  -0.000484782   0.001469564
 O      0.953987     -1.606374     -1.069869    0.00  -0.000155986  -0.003158905  -0.003261573
 C      1.528564     -2.810911     -0.537641    0.00  -0.000993235   0.004704088  -0.001290480
 H      2.547039     -2.924625     -0.909922    0.00  -0.000385964   0.001638756  -0.000124369
 O      0.865272     -3.572832      0.108885    0.00   0.003386136  -0.003993849   0.001542389
26
 Energy =      -0.190256452978
 C     -0.267839      1.983767      0.574485    0.00  -0.000222109   0.000088179   0.000108456
 C     -1.481527      2.070416     -0.359837    0.00  -0.000161026   0.000056448   0.000064445
 C     -1.569818      0.834046     -1.263669    0.00  -0.000156895   0.000058306   0.000032368
 C     -1.699663     -0.452107     -0.428054    0.00  -0.000173808   0.000230746   0.000054768
 C     -0.506548     -0.553113      0.541435    0.00  -0.000297289   0.000343913   0.000481492
 C     -0.278931      0.702345      1.411083    0.00  -0.000207885   0.000188503   0.000115258
 H     -2.430914      0.923596     -1.950731    0.00  -0.000008955   0.000003648  -0.000002288
 H     -2.410392      2.175786      0.232869    0.00  -0.000014027   0.000005931   0.000005577
 H     -1.411724      2.984085     -0.980119    0.00  -0.000012892   0.000001852   0.000005721
 H      0.664931      2.020443     -0.025671    0.00  -0.000018542   0.000003808   0.000010155
 H     -0.238777      2.864053      1.244208    0.00  -0.000021548   0.000004315   0.000011715
 H     -2.613681     -0.371694      0.219231    0.00  -0.000016989   0.000039888   0.000003586
 H     -1.077087      0.723397      2.181179    0.00  -0.000021339   0.000006235   0.000010937
 H      0.671632      0.593223      1.972986    0.00  -0.000030659   0.000021153   0.000004947
 H     -0.667796      0.768313     -1.905515    0.00  -0.000009749   0.000000686   0.000003191
 O     -0.662822     -1.622682      1.457332    0.00   0.000506354   0.000639169   0.001243707
 C     -1.853693     -1.684525     -1.314484    0.00  -0.000270132   0.000075008  -0.000198306
 H     -1.867442     -2.608916     -0.724306    0.00   0.000015735   0.000047081   0.000035533
 H     -2.788970     -1.647235     -1.884263    0.00  -0.000016964   0.000014674  -0.000078355
 H     -1.029203     -1.769023     -2.036295    0.00  -0.000049315  -0.000041360   0.000002634
 H     -0.630350     -2.506218      1.006916    0.00  -0.000184925  -0.000363913  -0.000126682
 O      0.828175     -0.670457     -0.024008    0.00  -0.000619007  -0.000551170   0.001575624
 O      0.961971     -1.602994     -1.070153    0.00  -0.000235292  -0.003549564  -0.003540624
 C      1.523297     -2.815053     -0.548476    0.00  -0.000968224   0.005271829  -0.001299957
 H      2.528558     -2.948156     -0.950460    0.00  -0.000397680   0.001802400  -0.000118311
 O      0.865686     -3.566187      0.116799    0.00   0.003593163  -0.004397763   0.001594407
26
 Energy =      -0.190814705519
 C     -0.267922      1.983166      0.574500    0.00  -0.000238968   0.000097450   0.000116586
 C     -1.481557      2.069993     -0.359836    0.00  -0.000175182   0.000063651   0.000070810
 C     -1.569809      0.833654     -1.263725    0.00  -0.000170070   0.000066117   0.000034088
 C     -1.699926     -0.452661     -0.428357    0.00  -0.000194314   0.000250575   0.000051017
 C     -0.507469     -0.554283      0.541635    0.00  -0.000326110   0.000371108   0.000506949
 C     -0.279191      0.701704      1.410948    0.00  -0.000224586   0.000205494   0.000120096
 H     -2.430846      0.923360     -1.950856    0.00  -0.000009656   0.000004192  -0.000002129
 H     -2.410441      2.175339      0.232850    0.00  -0.000015366   0.000006622   0.000006185
 H     -1.411714      2.983697     -0.980057    0.00  -0.000013907   0.000002299   0.000006396
 H      0.664898      2.019869     -0.025568    0.00  -0.000019705   0.000004151   0.000010832
 H     -0.238817      2.863380      1.244333    0.00  -0.000023146   0.000004912   0.000012760
 H     -2.614276     -0.372456      0.218519    0.00  -0.000019375   0.000042986   0.000003494
 H     -1.077153      0.722717      2.181249    0.00  -0.000023592   0.000007372   0.000011690
 H      0.671502      0.592262      1.972645    0.00  -0.000032881   0.000022810   0.000005254
 H     -0.667752      0.768040     -1.905489    0.00  -0.000010033   0.000001292   0.000003054
 O     -0.665271     -1.622805      1.458170    0.00   0.000563469   0.000700046   0.001339373
 C     -1.853260     -1.685004     -1.314964    0.00  -0.000299241   0.000080382  -0.000222378
 H     -1.869106     -2.609173     -0.724491    0.00   0.000016828   0.000050771   0.000038114
 H     -2.787717     -1.647100     -1.886130    0.00  -0.000019058   0.000015848  -0.000085419
 H     -1.027905     -1.769977     -2.035532    0.00  -0.000054073  -0.000044174   0.000002296
 H     -0.619279     -2.507705      1.010978    0.00  -0.000200646  -0.000408821  -0.000137337
 O      0.827559     -0.671992     -0.021422    0.00  -0.000635941  -0.000625657   0.001661011
 O      0.970053     -1.599718     -1.070288    0.00  -0.000320340  -0.003915348  -0.003781546
 C      1.517582     -2.819112     -0.559249    0.00  -0.000914376   0.005812836  -0.001275876
 H      2.508446     -2.971230     -0.990518    0.00  -0.000397455   0.001954259  -0.000102270
 O      0.866353     -3.559635      0.124562    0.00   0.003757724  -0.004771174   0.001606951
26
 Energy =      -0.191414413399
 C     -0.268010      1.982566      0.574511    0.00  -0.000254550   0.000106603   0.000123899
 C     -1.481590      2.069564     -0.359838    0.00  -0.000189096   0.000071152   0.000077131
 C     -1.569799      0.833260     -1.263790    0.00  -0.000183099   0.000073973   0.000035038
 C     -1.700173     -0.453225     -0.428676    0.00  -0.000216569   0.000267757   0.000043770
 C     -0.508362     -0.555455      0.541815    0.00  -0.000355144   0.000393463   0.000523676
 C     -0.279446      0.701064      1.410803    0.00  -0.000240634   0.000221318   0.000122974
 H     -2.430787      0.923119     -1.950979    0.00  -0.000010404   0.000004759  -0.000001875
 H     -2.410494      2.174884      0.232829    0.00  -0.000016738   0.000007343   0.000006814
 H     -1.411714      2.983306     -0.979996    0.00  -0.000014865   0.000002811   0.000007105
 H      0.664862      2.019303     -0.025469    0.00  -0.000020707   0.000004504   0.000011414
 H     -0.238865      2.862707      1.244455    0.00  -0.000024606   0.000005544   0.000013756
 H     -2.614848     -0.373240      0.217803    0.00  -0.000022017   0.000045529   0.000003220
 H     -1.077222      0.722020      2.181304    0.00  -0.000025876   0.000008645   0.000012311
 H      0.671372      0.591308      1.972303    0.00  -0.000034791   0.000024241   0.000005512
 H     -0.667718      0.767778     -1.905480    0.00  -0.000010187   0.000001993   0.000002772
 O     -0.667737     -1.622905      1.458992    0.00   0.000620138   0.000759033   0.001426500
 C     -1.852807     -1.685492     -1.315458    0.00  -0.000328083   0.000085829  -0.000246676
 H     -1.870758     -2.609433     -0.724679    0.00   0.000017657   0.000054043   0.000040251
 H     -2.786444     -1.646977     -1.888009    0.00  -0.000021121   0.000016906  -0.000091988
 H     -1.026603     -1.770951     -2.034790    0.00  -0.000058660  -0.000046462   0.000001827
 H     -0.607923     -2.509081      1.015324    0.00  -0.000213985  -0.000453567  -0.000146458
 O      0.827005     -0.673446     -0.018848    0.00  -0.000650050  -0.000709587   0.001724558
 O      0.978212     -1.596543     -1.070283    0.00  -0.000406197  -0.004245480  -0.003979579
 C      1.511426     -2.823078     -0.569956    0.00  -0.000833559   0.006315972  -0.001219629
 H      2.486741     -2.993794     -1.030037    0.00  -0.000385483   0.002090711  -0.000076888
 O      0.867270     -3.553170      0.132172    0.00   0.003878627  -0.005107033   0.001580564
26
 Energy =      -0.192050385657
 C     -0.268100      1.981964      0.574518    0.00  -0.000268716   0.000115573   0.000130293
 C     -1.481629      2.069126     -0.359843    0.00  -0.000202778   0.000078962   0.000083386
 C     -1.569792      0.832861     -1.263860    0.00  -0.000196056   0.000081772   0.000035067
 C     -1.700396     -0.453800     -0.429012    0.00  -0.000240789   0.000281726   0.000032661
 C     -0.509221     -0.556628      0.541975    0.00  -0.000384157   0.000410092   0.000530788
 C     -0.279696      0.700424      1.410648    0.00  -0.000255917   0.000235674   0.000123781
 H     -2.430739      0.922870     -1.951100    0.00  -0.000011221   0.000005346  -0.000001517
 H     -2.410551      2.174415      0.232807    0.00  -0.000018154   0.000008099   0.000007465
 H     -1.411723      2.982909     -0.979937    0.00  -0.000015766   0.000003390   0.000007854
 H      0.664823      2.018744     -0.025372    0.00  -0.000021539   0.000004877   0.000011886
 H     -0.238921      2.862033      1.244576    0.00  -0.000025910   0.000006216   0.000014688
 H     -2.615391     -0.374048      0.217083    0.00  -0.000024933   0.000047425   0.000002744
 H     -1.077294      0.721304      2.181342    0.00  -0.000028170   0.000010050   0.000012789
 H      0.671242      0.590361      1.971962    0.00  -0.000036333   0.000025403   0.000005726
 H     -0.667692      0.767527     -1.905489    0.00  -0.000010214   0.000002786   0.000002327
 O     -0.670229     -1.622982      1.459799    0.00   0.000675885   0.000815740   0.001504464
 C     -1.852335     -1.685991     -1.315968    0.00  -0.000356481   0.000091362  -0.000271035
 H     -1.872397     -2.609696     -0.724874    0.00   0.000018175   0.000056836   0.000041884
 H     -2.785149     -1.646865     -1.889906    0.00  -0.000023122   0.000017828  -0.000097961
 H     -1.025295     -1.771949     -2.034072    0.00  -0.000063035  -0.000048180   0.000001213
 H     -0.596280     -2.510334      1.019978    0.00  -0.000224554  -0.000497499  -0.000153802
 O      0.826530     -0.674825     -0.016279    0.00  -0.000663240  -0.000803917   0.001765820
 O      0.986420     -1.593464     -1.070151    0.00  -0.000487618  -0.004529668  -0.004130640
 C      1.504831     -2.826946     -0.580588    0.00  -0.000728454   0.006770532  -0.001133456
 H      2.463490     -3.015801     -1.068961    0.00  -0.000362363   0.002208404  -0.000043084
 O      0.868437     -3.546789      0.139626    0.00   0.003955462  -0.005398827   0.001516660
26
 Energy =      -0.192716782029
 C     -0.268194      1.981359      0.574520    0.00  -0.000281298   0.000124287   0.000135645
 C     -1.481673      2.068679     -0.359851    0.00  -0.000216230   0.000087091   0.000089539
 C     -1.569784      0.832454     -1.263939    0.00  -0.000209020   0.000089400   0.000034022
 C     -1.700589     -0.454390     -0.429368    0.00  -0.000267124   0.000291910   0.000017365
 C     -0.510036     -0.557802      0.542111    0.00  -0.000412774   0.000420119   0.000527656
 C     -0.279942      0.699781      1.410480    0.00  -0.000270248   0.000248220   0.000122444
 H     -2.430699      0.922608     -1.951219    0.00  -0.000012129   0.000005948  -0.000001058
 H     -2.410614      2.173931      0.232783    0.00  -0.000019626   0.000008893   0.000008142
 H     -1.411745      2.982503     -0.979878    0.00  -0.000016602   0.000004042   0.000008646
 H      0.664783      2.018190     -0.025280    0.00  -0.000022191   0.000005270   0.000012240
 H     -0.238986      2.861354      1.244693    0.00  -0.000027037   0.000006928   0.000015539
 H     -2.615895     -0.374887      0.216361    0.00  -0.000028141   0.000048596   0.000002045
 H     -1.077368      0.720563      2.181360    0.00  -0.000030440   0.000011580   0.000013113
 H      0.671113      0.589422      1.971622    0.00  -0.000037453   0.000026251   0.000005900
 H     -0.667673      0.767288     -1.905519    0.00  -0.000010118   0.000003666   0.000001703
 O     -0.672754     -1.623036      1.460593    0.00   0.000730211   0.000869834   0.001572698
 C     -1.851842     -1.686503     -1.316496    0.00  -0.000384275   0.000096926  -0.000295296
 H     -1.874022     -2.609965     -0.725076    0.00   0.000018345   0.000059088   0.000042956
 H     -2.783831     -1.646764     -1.891822    0.00  -0.000025032   0.000018588  -0.000103240
 H     -1.023981     -1.772975     -2.033381    0.00  -0.000067153  -0.000049284   0.000000439
 H     -0.584344     -2.511450      1.024963    0.00  -0.000232023  -0.000539976  -0.000159188
 O      0.826152     -0.676135     -0.013701    0.00  -0.000677453  -0.000909064   0.001785092
 O      0.994652     -1.590475     -1.069903    0.00  -0.000559360  -0.004758509  -0.004231433
 C      1.497804     -2.830710     -0.591138    0.00  -0.000602368   0.007166580  -0.001020416
 H      2.438740     -3.037211     -1.107234    0.00  -0.000329068   0.002304369  -0.000002073
 O      0.869846     -3.540485      0.146919    0.00   0.003988607  -0.005640755   0.001417519
26
 Energy =      -0.193407212209
 C     -0.268292      1.980749      0.574516    0.00  -0.000292101   0.000132661   0.000139816
 C     -1.481722      2.068218     -0.359861    0.00  -0.000229435   0.000095541   0.000095541
 C     -1.569774      0.832038     -1.264028    0.00  -0.000222056   0.000096732   0.000031727
 C     -1.700746     -0.454999     -0.429747    0.00  -0.000295637   0.000297763  -0.000002374
 C     -0.510800     -0.558981      0.542220    0.00  -0.000440534   0.000422730   0.000513915
 C     -0.280179      0.699133      1.410300    0.00  -0.000283349   0.000258563   0.000118938
 H     -2.430668      0.922330     -1.951336    0.00  -0.000013152   0.000006561  -0.000000494
 H     -2.410683      2.173424      0.232757    0.00  -0.000021167   0.000009729   0.000008846
 H     -1.411779      2.982087     -0.979820    0.00  -0.000017366   0.000004779   0.000009484
 H      0.664738      2.017640     -0.025193    0.00  -0.000022648   0.000005689   0.000012463
 H     -0.239060      2.860669      1.244807    0.00  -0.000027958   0.000007685   0.000016287
 H     -2.616353     -0.375761      0.215637    0.00  -0.000031645   0.000048974   0.000001106
 H     -1.077446      0.719793      2.181355    0.00  -0.000032639   0.000013212   0.000013271
 H      0.670986      0.588494      1.971286    0.00  -0.000038092   0.000026738   0.000006039
 H     -0.667659      0.767060     -1.905572    0.00  -0.000009901   0.000004632   0.000000884
 O     -0.675322     -1.623065      1.461376    0.00   0.000782604   0.000921024   0.001630717
 C     -1.851326     -1.687031     -1.317047    0.00  -0.000411312   0.000102372  -0.000319312
 H     -1.875628     -2.610242     -0.725288    0.00   0.000018125   0.000060739   0.000043409
 H     -2.782487     -1.646674     -1.893757    0.00  -0.000026824   0.000019157  -0.000107727
 H     -1.022655     -1.774031     -2.032718    0.00  -0.000070965  -0.000049735  -0.000000511
 H     -0.572108     -2.512414      1.030306    0.00  -0.000236129  -0.000580386  -0.000162505
 O      0.825886     -0.677381     -0.011103    0.00  -0.000694582  -0.001024804   0.001783453
 O      1.002877     -1.587570     -1.069551    0.00  -0.000616434  -0.004923830  -0.004279563
 C      1.490347     -2.834365     -0.601598    0.00  -0.000459092   0.007495251  -0.000884349
 H      2.412543     -3.057986     -1.144808    0.00  -0.000286904   0.002376139   0.000044704
 O      0.871498     -3.534255      0.154050    0.00   0.003979195  -0.005827915   0.001286234
26
 Energy =      -0.194114857358
 C     -0.268393      1.980134      0.574505    0.00  -0.000300890   0.000140596   0.000142648
 C     -1.481777      2.067740     -0.359875    0.00  -0.000242362   0.000104316   0.000101324
 C     -1.569760      0.831609     -1.264128    0.00  -0.000235225   0.000103636   0.000027996
 C     -1.700858     -0.455629     -0.430151    0.00  -0.000326322   0.000298751  -0.000026733
 C     -0.511503     -0.560162      0.542303    0.00  -0.000466795   0.000417207   0.000489563
 C     -0.280408      0.698480      1.410108    0.00  -0.000294858   0.000266255   0.000113262
 H     -2.430644      0.922030     -1.951451    0.00  -0.000014311   0.000007179   0.000000170
 H     -2.410757      2.172889      0.232730    0.00  -0.000022792   0.000010611   0.000009579
 H     -1.411828      2.981657     -0.979762    0.00  -0.000018048   0.000005603   0.000010375
 H      0.664690      2.017094     -0.025112    0.00  -0.000022894   0.000006136   0.000012543
 H     -0.239146      2.859977      1.244916    0.00  -0.000028645   0.000008489   0.000016906
 H     -2.616755     -0.376675      0.214912    0.00  -0.000035436   0.000048511  -0.000000092
 H     -1.077528      0.718993      2.181327    0.00  -0.000034711   0.000014915   0.000013257
 H      0.670858      0.587578      1.970955    0.00  -0.000038194   0.000026817   0.000006155
 H     -0.667650      0.766843     -1.905652    0.00  -0.000009565   0.000005670  -0.000000151
 O     -0.677943     -1.623070      1.462147    0.00   0.000832514   0.000969101   0.001678098
 C     -1.850783     -1.687578     -1.317622    0.00  -0.000437449   0.000107473  -0.000342961
 H     -1.877212     -2.610530     -0.725513    0.00   0.000017478   0.000061721   0.000043197
 H     -2.781114     -1.646596     -1.895716    0.00  -0.000028473   0.000019501  -0.000111322
 H     -1.021317     -1.775125     -2.032089    0.00  -0.000074419  -0.000049502  -0.000001660
 H     -0.559559     -2.513207      1.036038    0.00  -0.000236693  -0.000618191  -0.000163719
 O      0.825753     -0.678575     -0.008472    0.00  -0.000716405  -0.001150208   0.001762753
 O      1.011064     -1.584742     -1.069108    0.00  -0.000654397  -0.005018998  -0.004273641
 C      1.482466     -2.837905     -0.611963    0.00  -0.000302756   0.007749026  -0.000729731
 H      2.384953     -3.078095     -1.181634    0.00  -0.000237448   0.002421846   0.000095612
 O      0.873390     -3.528090      0.161015    0.00   0.003929099  -0.005956462   0.001126568
26
 Energy =      -0.194832611578
 C     -0.268499      1.979509      0.574488    0.00  -0.000307396   0.000147981   0.000143963
 C     -1.481839      2.067241     -0.359894    0.00  -0.000254968   0.000113407   0.000106801
 C     -1.569739      0.831164     -1.264242    0.00  -0.000248580   0.000109943   0.000022622
 C     -1.700915     -0.456287     -0.430583    0.00  -0.000359024   0.000294417  -0.000055792
 C     -0.512135     -0.561346      0.542358    0.00  -0.000490818   0.000402935   0.000454932
 C     -0.280626      0.697820      1.409900    0.00  -0.000304328   0.000270816   0.000105469
 H     -2.430629      0.921705     -1.951563    0.00  -0.000015622   0.000007795   0.000000928
 H     -2.410839      2.172322      0.232699    0.00  -0.000024508   0.000011542   0.000010340
 H     -1.411895      2.981211     -0.979705    0.00  -0.000018635   0.000006529   0.000011323
 H      0.664636      2.016550     -0.025039    0.00  -0.000022916   0.000006606   0.000012466
 H     -0.239244      2.859276      1.245020    0.00  -0.000029056   0.000009344   0.000017366
 H     -2.617088     -0.377638      0.214187    0.00  -0.000039499   0.000047179  -0.000001556
 H     -1.077613      0.718159      2.181271    0.00  -0.000036587   0.000016646   0.000013061
 H      0.670732      0.586678      1.970633    0.00  -0.000037701   0.000026443   0.000006253
 H     -0.667647      0.766638     -1.905763    0.00  -0.000009109   0.000006777  -0.000001415
 O     -0.680628     -1.623046      1.462910    0.00   0.000879340   0.001013934   0.001714542
 C     -1.850210     -1.688148     -1.318226    0.00  -0.000462553   0.000111870  -0.000366139
 H     -1.878767     -2.610831     -0.725753    0.00   0.000016371   0.000061968   0.000042274
 H     -2.779711     -1.646531     -1.897698    0.00  -0.000029966   0.000019578  -0.000113925
 H     -1.019964     -1.776260     -2.031500    0.00  -0.000077456  -0.000048555  -0.000003024
 H     -0.546678     -2.513812      1.042192    0.00  -0.000233618  -0.000652938  -0.000162888
 O      0.825772     -0.679723     -0.005790    0.00  -0.000744465  -0.001283535   0.001725573
 O      1.019175     -1.581980     -1.068586    0.00  -0.000669605  -0.005039219  -0.004213335
 C      1.474164     -2.841326     -0.622225    0.00  -0.000137662   0.007922006  -0.000561664
 H      2.356027     -3.097510     -1.217663    0.00  -0.000182476   0.002440291   0.000148887
 O      0.875522     -3.521987      0.167808    0.00   0.003840837  -0.006023758   0.000942938
26
 Energy =      -0.195553240165
 C     -0.268609      1.978875      0.574463    0.00  -0.000311324   0.000154687   0.000143570
 C     -1.481908      2.066718     -0.359919    0.00  -0.000267169   0.000122786   0.000111854
 C     -1.569709      0.830701     -1.264370    0.00  -0.000262142   0.000115476   0.000015395
 C     -1.700907     -0.456973     -0.431046    0.00  -0.000393462   0.000284371  -0.000089495
 C     -0.512684     -0.562530      0.542385    0.00  -0.000511760   0.000379490   0.000410802
 C     -0.280831      0.697153      1.409680    0.00  -0.000311201   0.000271700   0.000095654
 H     -2.430621      0.921344     -1.951674    0.00  -0.000017104   0.000008399   0.000001761
 H     -2.410928      2.171713      0.232665    0.00  -0.000026331   0.000012528   0.000011130
 H     -1.411984      2.980744     -0.979647    0.00  -0.000019110   0.000007560   0.000012328
 H      0.664578      2.016007     -0.024976    0.00  -0.000022691   0.000007099   0.000012221
 H     -0.239357      2.858566      1.245116    0.00  -0.000029155   0.000010252   0.000017629
 H     -2.617340     -0.378654      0.213463    0.00  -0.000043790   0.000044977  -0.000003296
 H     -1.077704      0.717288      2.181184    0.00  -0.000038177   0.000018347   0.000012679
 H      0.670607      0.585801      1.970321    0.00  -0.000036563   0.000025572   0.000006335
 H     -0.667645      0.766447     -1.905910    0.00  -0.000008539   0.000007935  -0.000002925
 O     -0.683389     -1.622995      1.463662    0.00   0.000922441   0.001055497   0.001739818
 C     -1.849602     -1.688744     -1.318862    0.00  -0.000486490   0.000115107  -0.000388762
 H     -1.880287     -2.611146     -0.726010    0.00   0.000014768   0.000061402   0.000040595
 H     -2.778275     -1.646478     -1.899702    0.00  -0.000031297   0.000019347  -0.000115433
 H     -1.018593     -1.777440     -2.030955    0.00  -0.000080011  -0.000046874  -0.000004631
 H     -0.533441     -2.514204      1.048806    0.00  -0.000226905  -0.000684293  -0.000160153
 O      0.825960     -0.680840     -0.003041    0.00  -0.000780024  -0.001422239   0.001675131
 O      1.027172     -1.579276     -1.067999    0.00  -0.000659418  -0.004981746  -0.004099458
 C      1.465448     -2.844621     -0.632378    0.00   0.000031822   0.008010088  -0.000385635
 H      2.325825     -3.116207     -1.252853    0.00  -0.000123887   0.002431007   0.000202679
 O      0.877892     -3.515939      0.174424    0.00   0.003717520  -0.006028474   0.000740209
26
 Energy =      -0.196269551848
 C     -0.268724      1.978232      0.574429    0.00  -0.000312331   0.000160568   0.000141248
 C     -1.481985      2.066166     -0.359949    0.00  -0.000278864   0.000132418   0.000116340
 C     -1.569666      0.830216     -1.264518    0.00  -0.000275914   0.000120028   0.000006078
 C     -1.700820     -0.457694     -0.431544    0.00  -0.000429184   0.000268323  -0.000127627
 C     -0.513138     -0.563711      0.542383    0.00  -0.000528667   0.000346672   0.000358402
 C     -0.281021      0.696480      1.409445    0.00  -0.000314864   0.000268366   0.000083952
 H     -2.430618      0.920944     -1.951782    0.00  -0.000018769   0.000008979   0.000002646
 H     -2.411027      2.171054      0.232626    0.00  -0.000028265   0.000013566   0.000011944
 H     -1.412097      2.980255     -0.979590    0.00  -0.000019455   0.000008707   0.000013394
 H      0.664514      2.015469     -0.024924    0.00  -0.000022203   0.000007603   0.000011792
 H     -0.239485      2.857847      1.245201    0.00  -0.000028892   0.000011214   0.000017656
 H     -2.617497     -0.379733      0.212742    0.00  -0.000048252   0.000041935  -0.000005314
 H     -1.077800      0.716380      2.181066    0.00  -0.000039390   0.000019944   0.000012108
 H      0.670484      0.584950      1.970027    0.00  -0.000034734   0.000024168   0.000006404
 H     -0.667644      0.766269     -1.906096    0.00  -0.000007859   0.000009121  -0.000004691
 O     -0.686241     -1.622912      1.464405    0.00   0.000961031   0.001093896   0.001753830
 C     -1.848953     -1.689368     -1.319535    0.00  -0.000509129   0.000116605  -0.000410761
 H     -1.881760     -2.611481     -0.726288    0.00   0.000012640   0.000059937   0.000038126
 H     -2.776801     -1.646441     -1.901728    0.00  -0.000032468   0.000018761  -0.000115742
 H     -1.017200     -1.778671     -2.030463    0.00  -0.000082009  -0.000044450  -0.000006507
 H     -0.519812     -2.514360      1.055927    0.00  -0.000216570  -0.000712093  -0.000155747
 O      0.826338     -0.681937     -0.000203    0.00  -0.000823964  -0.001562951   0.001615161
 O      1.035008     -1.576619     -1.067361    0.00  -0.000622342  -0.004846056  -0.003934008
 C      1.456322     -2.847782     -0.642414    0.00   0.000201347   0.008011154  -0.000207402
 H      2.294410     -3.134161     -1.287158    0.00  -0.000063638   0.002394287   0.000255126
 O      0.880500     -3.509942      0.180856    0.00   0.003562746  -0.005970701   0.000523591
26
 Energy =      -0.196974579697
 C     -0.268844      1.977578      0.574382    0.00  -0.000310056   0.000165456   0.000136765
 C     -1.482071      2.065579     -0.359987    0.00  -0.000289898   0.000142229   0.000120075
 C     -1.569606      0.829704     -1.264685    0.00  -0.000289855   0.000123356  -0.000005559
 C     -1.700638     -0.458454     -0.432080    0.00  -0.000465529   0.000246131  -0.000169775
 C     -0.513483     -0.564886      0.542355    0.00  -0.000540536   0.000304554   0.000299420
 C     -0.281193      0.695802      1.409198    0.00  -0.000314633   0.000260265   0.000070551
 H     -2.430620      0.920494     -1.951888    0.00  -0.000020624   0.000009521   0.000003545
 H     -2.411135      2.170336      0.232581    0.00  -0.000030315   0.000014658   0.000012775
 H     -1.412242      2.979739     -0.979533    0.00  -0.000019647   0.000009975   0.000014516
 H      0.664443      2.014934     -0.024886    0.00  -0.000021435   0.000008113   0.000011169
 H     -0.239632      2.857120      1.245273    0.00  -0.000028219   0.000012230   0.000017405
 H     -2.617541     -0.380883      0.212021    0.00  -0.000052798   0.000038121  -0.000007601
 H     -1.077901      0.715434      2.180912    0.00  -0.000040117   0.000021355   0.000011341
 H      0.670363      0.584137      1.969756    0.00  -0.000032178   0.000022204   0.000006455
 H     -0.667642      0.766109     -1.906332    0.00  -0.000007085   0.000010301  -0.000006719
 O     -0.689199     -1.622798      1.465137    0.00   0.000994247   0.001129362   0.001756610
 C     -1.848253     -1.690026     -1.320248    0.00  -0.000530321   0.000115671  -0.000432066
 H     -1.883171     -2.611837     -0.726586    0.00   0.000009955   0.000057472   0.000034830
 H     -2.775288     -1.646422     -1.903771    0.00  -0.000033500   0.000017774  -0.000114747
 H     -1.015784     -1.779957     -2.030036    0.00  -0.000083368  -0.000041289  -0.000008681
 H     -0.505745     -2.514248      1.063605    0.00  -0.000202740  -0.000736330  -0.000149980
 O      0.826924     -0.683036      0.002744    0.00  -0.000876679  -0.001701536   0.001549764
 O      1.042635     -1.574000     -1.066686    0.00  -0.000558164  -0.004633988  -0.003720191
 C      1.446792     -2.850798     -0.652325    0.00   0.000366643   0.007925229  -0.000032831
 H      2.261850     -3.151348     -1.320537    0.00  -0.000003653   0.002331183   0.000304415
 O      0.883348     -3.503990      0.187097    0.00   0.003380504  -0.005852019   0.000298512
26
 Energy =      -0.197661768905
 C     -0.268969      1.976916      0.574322    0.00  -0.000304121   0.000169170   0.000129886
 C     -1.482167      2.064953     -0.360036    0.00  -0.000300063   0.000152120   0.000122831
 C     -1.569523      0.829162     -1.264879    0.00  -0.000303884   0.000125185  -0.000019741
 C     -1.700347     -0.459256     -0.432659    0.00  -0.000501603   0.000217851  -0.000215279
 C     -0.513706     -0.566049      0.542303    0.00  -0.000546348   0.000253546   0.000236035
 C     -0.281344      0.695124      1.408941    0.00  -0.000309774   0.000246899   0.000055683
 H     -2.430624      0.919985     -1.951992    0.00  -0.000022672   0.000010004   0.000004398
 H     -2.411256      2.169545      0.232531    0.00  -0.000032478   0.000015799   0.000013614
 H     -1.412424      2.979191     -0.979477    0.00  -0.000019661   0.000011366   0.000015686
 H      0.664365      2.014404     -0.024864    0.00  -0.000020373   0.000008611   0.000010339
 H     -0.239800      2.856388      1.245325    0.00  -0.000027092   0.000013295   0.000016826
 H     -2.617453     -0.382111      0.211304    0.00  -0.000057310   0.000033637  -0.000010141
 H     -1.078008      0.714455      2.180723    0.00  -0.000040244   0.000022478   0.000010381
 H      0.670246      0.583373      1.969514    0.00  -0.000028882   0.000019673   0.000006471
 H     -0.667635      0.765969     -1.906624    0.00  -0.000006232   0.000011429  -0.000009003
 O     -0.692283     -1.622648      1.465859    0.00   0.001021054   0.001162284   0.001748343
 C     -1.847494     -1.690722     -1.321005    0.00  -0.000549894   0.000111507  -0.000452592
 H     -1.884500     -2.612217     -0.726909    0.00   0.000006688   0.000053890   0.000030672
 H     -2.773733     -1.646426     -1.905824    0.00  -0.000034435   0.000016339  -0.000112346
 H     -1.014345     -1.781301     -2.029687    0.00  -0.000083989  -0.000037414  -0.000011185
 H     -0.491177     -2.513830      1.071904    0.00  -0.000185552  -0.000757188  -0.000143223
 O      0.827737     -0.684156      0.005828    0.00  -0.000938006  -0.001833147   0.001483141
 O      1.049994     -1.571408     -1.065990    0.00  -0.000467955  -0.004349853  -0.003462425
 C      1.436867     -2.853658     -0.662104    0.00   0.000523521   0.007754586   0.000132408
 H      2.228222     -3.167746     -1.352947    0.00   0.000054219   0.002243499   0.000348828
 O      0.886438     -3.498080      0.193134    0.00   0.003175086  -0.005675565   0.000070393
26
 Energy =      -0.198325167767
 C     -0.269099      1.976245      0.574245    0.00  -0.000294160   0.000171514   0.000120373
 C     -1.482274      2.064282     -0.360097    0.00  -0.000309086   0.000161934   0.000124331
 C     -1.569408      0.828585     -1.265103    0.00  -0.000317845   0.000125204  -0.000036669
 C     -1.699923     -0.460106     -0.433283    0.00  -0.000536249   0.000183749  -0.000263173
 C     -0.513790     -0.567191      0.542233    0.00  -0.000545077   0.000194472   0.000170831
 C     -0.281466      0.694452      1.408674    0.00  -0.000299592   0.000227884   0.000039625
 H     -2.430626      0.919406     -1.952097    0.00  -0.000024904   0.000010407   0.000005131
 H     -2.411389      2.168668      0.232472    0.00  -0.000034737   0.000016979   0.000014436
 H     -1.412650      2.978609     -0.979422    0.00  -0.000019470   0.000012879   0.000016894
 H      0.664278      2.013885     -0.024864    0.00  -0.000019011   0.000009083   0.000009293
 H     -0.239993      2.855657      1.245352    0.00  -0.000025460   0.000014398   0.000015873
 H     -2.617215     -0.383427      0.210587    0.00  -0.000061645   0.000028634  -0.000012901
 H     -1.078120      0.713446      2.180496    0.00  -0.000039657   0.000023206   0.000009223
 H      0.670135      0.582672      1.969310    0.00  -0.000024845   0.000016581   0.000006427
 H     -0.667618      0.765851     -1.906980    0.00  -0.000005341   0.000012431  -0.000011529
 O     -0.695511     -1.622463      1.466564    0.00   0.001040175   0.001193264   0.001729358
 C     -1.846663     -1.691461     -1.321810    0.00  -0.000567646   0.000103236  -0.000472226
 H     -1.885717     -2.612628     -0.727255    0.00   0.000002807   0.000049054   0.000025626
 H     -2.772130     -1.646462     -1.907874    0.00  -0.000035331   0.000014416  -0.000108431
 H     -1.012877     -1.782704     -2.029433    0.00  -0.000083760  -0.000032879  -0.000014052
 H     -0.476026     -2.513058      1.080897    0.00  -0.000165110  -0.000775084  -0.000135888
 O      0.828793     -0.685322      0.009073    0.00  -0.001007151  -0.001952460   0.001419462
 O      1.057020     -1.568834     -1.065289    0.00  -0.000354095  -0.004000405  -0.003166395
 C      1.426560     -2.856347     -0.671742    0.00   0.000667985   0.007503815   0.000282957
 H      2.193611     -3.183327     -1.384344    0.00   0.000108267   0.002133758   0.000386824
 O      0.889774     -3.492209      0.198955    0.00   0.002950938  -0.005446070  -0.000155398
26
 Energy =      -0.198959618142
 C     -0.269233      1.975572      0.574147    0.00  -0.000279839   0.000172274   0.000108018
 C     -1.482393      2.063560     -0.360173    0.00  -0.000316618   0.000171469   0.000124248
 C     -1.569254      0.827969     -1.265363    0.00  -0.000331507   0.000123053  -0.000056482
 C     -1.699347     -0.461004     -0.433958    0.00  -0.000568028   0.000144382  -0.000312154
 C     -0.513722     -0.568304      0.542152    0.00  -0.000535802   0.000128603   0.000106769
 C     -0.281556      0.693794      1.408404    0.00  -0.000283456   0.000203001   0.000022677
 H     -2.430621      0.918745     -1.952204    0.00  -0.000027303   0.000010700   0.000005641
 H     -2.411537      2.167689      0.232401    0.00  -0.000037063   0.000018185   0.000015217
 H     -1.412934      2.977988     -0.979370    0.00  -0.000019045   0.000014500   0.000018110
 H      0.664184      2.013379     -0.024889    0.00  -0.000017349   0.000009512   0.000008025
 H     -0.240213      2.854934      1.245344    0.00  -0.000023293   0.000015524   0.000014502
 H     -2.616804     -0.384838      0.209869    0.00  -0.000065619   0.000023305  -0.000015832
 H     -1.078236      0.712419      2.180232    0.00  -0.000038247   0.000023426   0.000007868
 H      0.670030      0.582054      1.969154    0.00  -0.000020102   0.000012969   0.000006286
 H     -0.667586      0.765761     -1.907411    0.00  -0.000004458   0.000013219  -0.000014261
 O     -0.698907     -1.622242      1.467250    0.00   0.001050063   0.001223137   0.001700154
 C     -1.845743     -1.692244     -1.322666    0.00  -0.000583323   0.000089929  -0.000490788
 H     -1.886784     -2.613070     -0.727626    0.00  -0.000001712   0.000042812   0.000019667
 H     -2.770480     -1.646539     -1.909904    0.00  -0.000036275   0.000011975  -0.000102904
 H     -1.011381     -1.784165     -2.029295    0.00  -0.000082551  -0.000027766  -0.000017315
 H     -0.460187     -2.511876      1.090676    0.00  -0.000141454  -0.000790657  -0.000128408
 O      0.830107     -0.686567      0.012513    0.00  -0.001082583  -0.002053837   0.001362526
 O      1.063634     -1.566269     -1.064601    0.00  -0.000220213  -0.003594897  -0.002838977
 C      1.415886     -2.858848     -0.681228    0.00   0.000796211   0.007179934   0.000414074
 H      2.158120     -3.198059     -1.414682    0.00   0.000156969   0.002005158   0.000417088
 O      0.893356     -3.486378      0.204542    0.00   0.002712600  -0.005169912  -0.000373749
26
 Energy =       -0.19956094193
 C     -0.269371      1.974903      0.574026    0.00  -0.000260921   0.000171249   0.000092663
 C     -1.482525      2.062781     -0.360269    0.00  -0.000322211   0.000180436   0.000122199
 C     -1.569048      0.827308     -1.265665    0.00  -0.000344540   0.000118357  -0.000079221
 C     -1.698593     -0.461953     -0.434685    0.00  -0.000595217   0.000100637  -0.000360540
 C     -0.513487     -0.569373      0.542072    0.00  -0.000517776   0.000057707   0.000047059
 C     -0.281607      0.693162      1.408134    0.00  -0.000260902   0.000172298   0.000005168
 H     -2.430600      0.917987     -1.952317    0.00  -0.000029839   0.000010850   0.000005799
 H     -2.411701      2.166591      0.232318    0.00  -0.000039405   0.000019393   0.000015913
 H     -1.413284      2.977325     -0.979321    0.00  -0.000018364   0.000016206   0.000019294
 H      0.664080      2.012894     -0.024944    0.00  -0.000015396   0.000009873   0.000006537
 H     -0.240463      2.854231      1.245291    0.00  -0.000020571   0.000016647   0.000012678
 H     -2.616199     -0.386352      0.209147    0.00  -0.000069019   0.000017883  -0.000018862
 H     -1.078353      0.711389      2.179931    0.00  -0.000035927   0.000023033   0.000006317
 H      0.669937      0.581543      1.969057    0.00  -0.000014720   0.000008907   0.000005996
 H     -0.667527      0.765702     -1.907926    0.00  -0.000003652   0.000013677  -0.000017144
 O     -0.702497     -1.621988      1.467908    0.00   0.001048810   0.001253044   0.001661351
 C     -1.844713     -1.693079     -1.323573    0.00  -0.000596606   0.000070667  -0.000507995
 H     -1.887647     -2.613550     -0.728016    0.00  -0.000006887   0.000034996   0.000012780
 H     -2.768779     -1.646674     -1.911887    0.00  -0.000037384   0.000009000  -0.000095672
 H     -1.009858     -1.785676     -2.029301    0.00  -0.000080217  -0.000022191  -0.000020998
 H     -0.443525     -2.510207      1.101347    0.00  -0.000114472  -0.000804781  -0.000121190
 O      0.831687     -0.687927      0.016174    0.00  -0.001161985  -0.002131649   0.001315484
 O      1.069753     -1.563704     -1.063946    0.00  -0.000071116  -0.003145021  -0.002488193
 C      1.404875     -2.861141     -0.690549    0.00   0.000904685   0.006792408   0.000521884
 H      2.121872     -3.211910     -1.443910    0.00   0.000199020   0.001861513   0.000438601
 O      0.897191     -3.480589      0.209876    0.00   0.002464614  -0.004855137  -0.000579909
26
 Energy =      -0.200126118312
 C     -0.269511      1.974244      0.573875    0.00  -0.000237307   0.000168241   0.000074243
 C     -1.482669      2.061941     -0.360390    0.00  -0.000325332   0.000188467   0.000117757
 C     -1.568775      0.826601     -1.266017    0.00  -0.000356498   0.000110723  -0.000104771
 C     -1.697640     -0.462952     -0.435467    0.00  -0.000615855   0.000053741  -0.000406268
 C     -0.513074     -0.570382      0.542008    0.00  -0.000490519  -0.000015920  -0.000005031
 C     -0.281612      0.692573      1.407874    0.00  -0.000231755   0.000136165  -0.000012575
 H     -2.430551      0.917119     -1.952443    0.00  -0.000032464   0.000010818   0.000005453
 H     -2.411882      2.165352      0.232216    0.00  -0.000041682   0.000020570   0.000016470
 H     -1.413713      2.976618     -0.979277    0.00  -0.000017407   0.000017960   0.000020386
 H      0.663969      2.012438     -0.025037    0.00  -0.000013180   0.000010146   0.000004836
 H     -0.240749      2.853564      1.245180    0.00  -0.000017304   0.000017727   0.000010382
 H     -2.615379     -0.387973      0.208415    0.00  -0.000071604   0.000012630  -0.000021894
 H     -1.078468      0.710380      2.179597    0.00  -0.000032641   0.000021941   0.000004575
 H      0.669859      0.581167      1.969032    0.00  -0.000008802   0.000004504   0.000005498
 H     -0.667428      0.765679     -1.908531    0.00  -0.000003012   0.000013659  -0.000020093
 O     -0.706308     -1.621705      1.468529    0.00   0.001034058   0.001284519   0.001613618
 C     -1.843552     -1.693966     -1.324531    0.00  -0.000607106   0.000044637  -0.000523420
 H     -1.888234     -2.614069     -0.728422    0.00  -0.000012729   0.000025445   0.000004969
 H     -2.767030     -1.646892     -1.913784    0.00  -0.000038794   0.000005495  -0.000086658
 H     -1.008306     -1.787222     -2.029478    0.00  -0.000076602  -0.000016308  -0.000025114
 H     -0.425869     -2.507959      1.113044    0.00  -0.000083824  -0.000818552  -0.000114582
 O      0.833535     -0.689444      0.020090    0.00  -0.001242244  -0.002180713   0.001280576
 O      1.075279     -1.561136     -1.063343    0.00   0.000087351  -0.002664725  -0.002123153
 C      1.393561     -2.863207     -0.699688    0.00   0.000990400   0.006353117   0.000603705
 H      2.085021     -3.224835     -1.471973    0.00   0.000233381   0.001707194   0.000450689
 O      0.901284     -3.474851      0.214930    0.00   0.002211471  -0.004511480  -0.000769598
26
 Energy =       -0.20065343907
 C     -0.269651      1.973613      0.573689    0.00  -0.000209137   0.000163080   0.000052834
 C     -1.482825      2.061037     -0.360542    0.00  -0.000325371   0.000195100   0.000110476
 C     -1.568418      0.825844     -1.266425    0.00  -0.000366805   0.000099780  -0.000132797
 C     -1.696462     -0.463996     -0.436301    0.00  -0.000627832   0.000005295  -0.000446938
 C     -0.512478     -0.571314      0.541979    0.00  -0.000453997  -0.000089514  -0.000046437
 C     -0.281562      0.692049      1.407632    0.00  -0.000196233   0.000095423  -0.000030247
 H     -2.430452      0.916128     -1.952591    0.00  -0.000035111   0.000010564   0.000004444
 H     -2.412081      2.163957      0.232092    0.00  -0.000043782   0.000021670   0.000016817
 H     -1.414237      2.975867     -0.979244    0.00  -0.000016169   0.000019698   0.000021302
 H      0.663850      2.012023     -0.025174    0.00  -0.000010742   0.000010299   0.000002941
 H     -0.241070      2.852952      1.244993    0.00  -0.000013538   0.000018718   0.000007626
 H     -2.614331     -0.389700      0.207667    0.00  -0.000073125   0.000007823  -0.000024803
 H     -1.078576      0.709420      2.179239    0.00  -0.000028387   0.000020100   0.000002648
 H      0.669804      0.580958      1.969087    0.00  -0.000002503  -0.000000092   0.000004728
 H     -0.667272      0.765696     -1.909235    0.00  -0.000002637   0.000013014  -0.000022999
 O     -0.710370     -1.621404      1.469092    0.00   0.001002865   0.001319585   0.001557518
 C     -1.842231     -1.694907     -1.325535    0.00  -0.000614348   0.000011258  -0.000536446
 H     -1.888450     -2.614629     -0.728828    0.00  -0.000019220   0.000014018  -0.000003739
 H     -2.765236     -1.647225     -1.915545    0.00  -0.000040660   0.000001490  -0.000075816
 H     -1.006732     -1.788776     -2.029864    0.00  -0.000071550  -0.000010297  -0.000029649
 H     -0.407014     -2.505005      1.125924    0.00  -0.000048816  -0.000833240  -0.000108808
 O      0.835647     -0.691165      0.024286    0.00  -0.001319447  -0.002196726   0.001258783
 O      1.080104     -1.558559     -1.062815    0.00   0.000248491  -0.002170016  -0.001753787
 C      1.382001     -2.865024     -0.708626    0.00   0.001051124   0.005876261   0.000658331
 H      2.047765     -3.236788     -1.498809    0.00   0.000259306   0.001547041   0.000453097
 O      0.905640     -3.469177      0.219677    0.00   0.001957625  -0.004150334  -0.000939078
26
 Energy =      -0.201142641312
 C     -0.269786      1.973025      0.573460    0.00  -0.000176866   0.000155647   0.000028714
 C     -1.482990      2.060068     -0.360731    0.00  -0.000321687   0.000199777   0.000099935
 C     -1.567956      0.825039     -1.266896    0.00  -0.000374768   0.000085260  -0.000162664
 C     -1.695046     -0.465077     -0.437184    0.00  -0.000629078  -0.000042809  -0.000479966
 C     -0.511699     -0.572143      0.542011    0.00  -0.000408711  -0.000159906  -0.000074665
 C     -0.281449      0.691615      1.407417    0.00  -0.000155119   0.000051347  -0.000047580
 H     -2.430281      0.915002     -1.952778    0.00  -0.000037685   0.000010051   0.000002619
 H     -2.412298      2.162388      0.231939    0.00  -0.000045560   0.000022634   0.000016864
 H     -1.414869      2.975075     -0.979225    0.00  -0.000014666   0.000021339   0.000021938
 H      0.663726      2.011665     -0.025364    0.00  -0.000008142   0.000010309   0.000000886
 H     -0.241428      2.852424      1.244714    0.00  -0.000009367   0.000019555   0.000004455
 H     -2.613049     -0.391525      0.206892    0.00  -0.000073347   0.000003723  -0.000027438
 H     -1.078668      0.708554      2.178864    0.00  -0.000023235   0.000017521   0.000000551
 H      0.669778      0.580957      1.969234    0.00   0.000003986  -0.000004702   0.000003626
 H     -0.667030      0.765754     -1.910034    0.00  -0.000002633   0.000011586  -0.000025724
 O     -0.714711     -1.621105      1.469574    0.00   0.000951580   0.001360826   0.001493242
 C     -1.840719     -1.695898     -1.326573    0.00  -0.000617784  -0.000029636  -0.000546231
 H     -1.888176     -2.615230     -0.729215    0.00  -0.000026308   0.000000644  -0.000013279
 H     -2.763406     -1.647722     -1.917098    0.00  -0.000043135  -0.000002955  -0.000063137
 H     -1.005140     -1.790296     -2.030499    0.00  -0.000064926  -0.000004351  -0.000034546
 H     -0.386713     -2.501190      1.140176    0.00  -0.000008311  -0.000850171  -0.000103910
 O      0.837999     -0.693137      0.028781    0.00  -0.001389110  -0.002176973   0.001249642
 O      1.084116     -1.555978     -1.062381    0.00   0.000405090  -0.001678303  -0.001390598
 C      1.370268     -2.866578     -0.717337    0.00   0.001085791   0.005377950   0.000686443
 H      2.010350     -3.247722     -1.524343    0.00   0.000276428   0.001386234   0.000446078
 O      0.910261     -3.463589      0.224082    0.00   0.001707563  -0.003784596  -0.001085257
26
 Energy =       -0.20159495435
 C     -0.269912      1.972502      0.573182    0.00  -0.000141366   0.000145881   0.000002421
 C     -1.483161      2.059044     -0.360966    0.00  -0.000313707   0.000201873   0.000085808
 C     -1.567366      0.824189     -1.267434    0.00  -0.000379590   0.000067073  -0.000193382
 C     -1.693386     -0.466175     -0.438104    0.00  -0.000617848  -0.000088496  -0.000502837
 C     -0.510750     -0.572846      0.542132    0.00  -0.000355860  -0.000223755  -0.000088228
 C     -0.281263      0.691301      1.407244    0.00  -0.000109855   0.000005650  -0.000064327
 H     -2.430002      0.913739     -1.953023    0.00  -0.000040070   0.000009248  -0.000000124
 H     -2.412528      2.160639      0.231748    0.00  -0.000046837   0.000023390   0.000016517
 H     -1.415615      2.974249     -0.979227    0.00  -0.000012938   0.000022774   0.000022168
 H      0.663603      2.011379     -0.025614    0.00  -0.000005463   0.000010142  -0.000001281
 H     -0.241821      2.852008      1.244322    0.00  -0.000004937   0.000020165   0.000000967
 H     -2.611542     -0.393427      0.206081    0.00  -0.000072079   0.000000544  -0.000029634
 H     -1.078735      0.707829      2.178486    0.00  -0.000017339   0.000014285  -0.000001692
 H      0.669792      0.581200      1.969477    0.00   0.000010429  -0.000009124   0.000002152
 H     -0.666673      0.765852     -1.910917    0.00  -0.000003089   0.000009259  -0.000028114
 O     -0.719351     -1.620842      1.469938    0.00   0.000875691   0.001411331   0.001420257
 C     -1.838989     -1.696935     -1.327626    0.00  -0.000616804  -0.000077585  -0.000551712
 H     -1.887261     -2.615868     -0.729554    0.00  -0.000033869  -0.000014632  -0.000023534
 H     -2.761561     -1.648442     -1.918354    0.00  -0.000046341  -0.000007758  -0.000048682
 H     -1.003547     -1.791719     -2.031421    0.00  -0.000056645   0.000001347  -0.000039681
 H     -0.364693     -2.496314      1.156013    0.00   0.000039345  -0.000870472  -0.000099666
 O      0.840551     -0.695407      0.033579    0.00  -0.001446426  -0.002120883   0.001251010
 O      1.087209     -1.553401     -1.062061    0.00   0.000549869  -0.001207556  -0.001044012
 C      1.358462     -2.867856     -0.725787    0.00   0.001094972   0.004875590   0.000690696
 H      1.973080     -3.257588     -1.548499    0.00   0.000284825   0.001230071   0.000430488
 O      0.915149     -3.458118      0.228114    0.00   0.001465933  -0.003428361  -0.001205579
26
 Energy =      -0.202013048928
 C     -0.270021      1.972068      0.572850    0.00  -0.000103967   0.000133801  -0.000025203
 C     -1.483330      2.057979     -0.361255    0.00  -0.000301055   0.000200728   0.000067972
 C     -1.566629      0.823306     -1.268042    0.00  -0.000380445   0.000045443  -0.000223613
 C     -1.691497     -0.467264     -0.439042    0.00  -0.000593084  -0.000129737  -0.000513496
 C     -0.509661     -0.573398      0.542370    0.00  -0.000297370  -0.000277824  -0.000086934
 C     -0.281000      0.691137      1.407122    0.00  -0.000062605  -0.000039654  -0.000080244
 H     -2.429575      0.912344     -1.953350    0.00  -0.000042115   0.000008147  -0.000003799
 H     -2.412768      2.158718      0.231511    0.00  -0.000047428   0.000023858   0.000015683
 H     -1.416479      2.973403     -0.979260    0.00  -0.000011057   0.000023874   0.000021865
 H      0.663485      2.011182     -0.025929    0.00  -0.000002814   0.000009771  -0.000003490
 H     -0.242242      2.851740      1.243804    0.00  -0.000000452   0.000020470  -0.000002689
 H     -2.609838     -0.395375      0.205223    0.00  -0.000069225  -0.000001597  -0.000031243
 H     -1.078764      0.707302      2.178119    0.00  -0.000010949   0.000010557  -0.000004048
 H      0.669859      0.581724      1.969815    0.00   0.000016569  -0.000013163   0.000000300
 H     -0.666161      0.765986     -1.911861    0.00  -0.000004059   0.000005994  -0.000030016
 O     -0.724300     -1.620664      1.470127    0.00   0.000769916   0.001474351   0.001336771
 C     -1.837014     -1.698003     -1.328666    0.00  -0.000610798  -0.000131290  -0.000551645
 H     -1.885542     -2.616534     -0.729805    0.00  -0.000041685  -0.000031580  -0.000034331
 H     -2.759728     -1.649459     -1.919204    0.00  -0.000050334  -0.000012820  -0.000032607
 H     -1.001971     -1.792961     -2.032669    0.00  -0.000046715   0.000006659  -0.000044847
 H     -0.340687     -2.490132      1.173668    0.00   0.000096195  -0.000894595  -0.000095511
 O      0.843244     -0.698007      0.038663    0.00  -0.001486724  -0.002030736   0.001259074
 O      1.089295     -1.550845     -1.061866    0.00   0.000676278  -0.000774716  -0.000723743
 C      1.346703     -2.868860     -0.733935    0.00   0.001080890   0.004386600   0.000676372
 H      1.936312     -3.266354     -1.571191    0.00   0.000285161   0.001083615   0.000407866
 O      0.920297     -3.452803      0.231747    0.00   0.001237871  -0.003096157  -0.001298444
26
 Energy =      -0.202400814252
 C     -0.270104      1.971750      0.572462    0.00  -0.000066475   0.000119497  -0.000052998
 C     -1.483486      2.056896     -0.361603    0.00  -0.000283708   0.000195743   0.000046614
 C     -1.565727      0.822408     -1.268711    0.00  -0.000376587   0.000020976  -0.000251766
 C     -1.689412     -0.468311     -0.439973    0.00  -0.000554758  -0.000164745  -0.000510807
 C     -0.508475     -0.573777      0.542747    0.00  -0.000235929  -0.000319448  -0.000072235
 C     -0.280654      0.691150      1.407062    0.00  -0.000016109  -0.000082536  -0.000094949
 H     -2.428959      0.910837     -1.953785    0.00  -0.000043669   0.000006762  -0.000008285
 H     -2.413006      2.156651      0.231218    0.00  -0.000047167   0.000023955   0.000014305
 H     -1.417448      2.972559     -0.979333    0.00  -0.000009123   0.000024500   0.000020912
 H      0.663384      2.011093     -0.026313    0.00  -0.000000323   0.000009171  -0.000005649
 H     -0.242681      2.851645      1.243150    0.00   0.000003841   0.000020400  -0.000006330
 H     -2.607992     -0.397318      0.204314    0.00  -0.000064804  -0.000002694  -0.000032142
 H     -1.078743      0.707026      2.177780    0.00  -0.000004385   0.000006574  -0.000006452
 H      0.669987      0.582551      1.970238    0.00   0.000022149  -0.000016664  -0.000001892
 H     -0.665458      0.766145     -1.912829    0.00  -0.000005526   0.000001874  -0.000031299
 O     -0.729545     -1.620645      1.470065    0.00   0.000628559   0.001552427   0.001239328
 C     -1.834783     -1.699084     -1.329655    0.00  -0.000599212  -0.000188518  -0.000544788
 H     -1.882852     -2.617213     -0.729919    0.00  -0.000049420  -0.000049731  -0.000045441
 H     -2.757951     -1.650853     -1.919533    0.00  -0.000055063  -0.000018042  -0.000015199
 H     -1.000447     -1.793922     -2.034268    0.00  -0.000035270   0.000011523  -0.000049741
 H     -0.314477     -2.482360      1.193361    0.00   0.000164322  -0.000921581  -0.000090445
 O      0.845996     -0.700948      0.043986    0.00  -0.001506119  -0.001911666   0.001268517
 O      1.090325     -1.548336     -1.061800    0.00   0.000779226  -0.000393848  -0.000437585
 C      1.335127     -2.869605     -0.741729    0.00   0.001047807   0.003926769   0.000650646
 H      1.900419     -3.274012     -1.592348    0.00   0.000278735   0.000951146   0.000380503
 O      0.925694     -3.447686      0.234973    0.00   0.001029005  -0.002801842  -0.001362822
26
 Energy =      -0.202762912463
 C     -0.270151      1.971567      0.572019    0.00  -0.000031057   0.000103163  -0.000079536
 C     -1.483616      2.055828     -0.362011    0.00  -0.000262151   0.000186453   0.000022305
 C     -1.564654      0.821518     -1.269430    0.00  -0.000367491  -0.000005298  -0.000276217
 C     -1.687195     -0.469273     -0.440864    0.00  -0.000504111  -0.000192282  -0.000494895
 C     -0.507247     -0.573968      0.543279    0.00  -0.000174564  -0.000346894  -0.000047087
 C     -0.280225      0.691355      1.407067    0.00   0.000026525  -0.000121169  -0.000107739
 H     -2.428116      0.909253     -1.954351    0.00  -0.000044572   0.000005130  -0.000013330
 H     -2.413232      2.154490      0.230862    0.00  -0.000045945   0.000023611   0.000012363
 H     -1.418494      2.971741     -0.979457    0.00  -0.000007255   0.000024518   0.000019248
 H      0.663310      2.011119     -0.026762    0.00   0.000001852   0.000008324  -0.000007652
 H     -0.243120      2.851747      1.242362    0.00   0.000007677   0.000019887  -0.000009741
 H     -2.606077     -0.399196      0.203353    0.00  -0.000058978  -0.000002880  -0.000032289
 H     -1.078660      0.707047      2.177483    0.00   0.000001991   0.000002592  -0.000008813
 H      0.670189      0.583690      1.970727    0.00   0.000026918  -0.000019523  -0.000004324
 H     -0.664532      0.766312     -1.913770    0.00  -0.000007400  -0.000002885  -0.000031884
 O     -0.735042     -1.620880      1.469654    0.00   0.000446904   0.001645750   0.001122831
 C     -1.832305     -1.700152     -1.330547    0.00  -0.000581619  -0.000246180  -0.000530130
 H     -1.879052     -2.617886     -0.729845    0.00  -0.000056641  -0.000068347  -0.000056593
 H     -2.756285     -1.652702     -1.919222    0.00  -0.000060346  -0.000023328   0.000003099
 H     -0.999017     -1.794495     -2.036230    0.00  -0.000022594   0.000015963  -0.000053995
 H     -0.285986     -2.472695      1.215268    0.00   0.000244751  -0.000948069  -0.000083055
 O      0.848717     -0.704207      0.049470    0.00  -0.001501947  -0.001771311   0.001272966
 O      1.090307     -1.545903     -1.061854    0.00   0.000855886  -0.000073885  -0.000190573
 C      1.323865     -2.870124     -0.749112    0.00   0.001001298   0.003507972   0.000622402
 H      1.865745     -3.280596     -1.611923    0.00   0.000267451   0.000835528   0.000351295
 O      0.931319     -3.442799      0.237811    0.00   0.000845416  -0.002556841  -0.001398656
26
 Energy =      -0.203104098789
 C     -0.270152      1.971529      0.571533    0.00  -0.000000079   0.000085061  -0.000103177
 C     -1.483702      2.054812     -0.362479    0.00  -0.000237389   0.000172595  -0.000003999
 C     -1.563419      0.820663     -1.270182    0.00  -0.000352987  -0.000032056  -0.000295628
 C     -1.684922     -0.470115     -0.441681    0.00  -0.000443625  -0.000211767  -0.000467319
 C     -0.506038     -0.573970      0.543961    0.00  -0.000116427  -0.000359572  -0.000015420
 C     -0.279719      0.691748      1.407142    0.00   0.000062228  -0.000154130  -0.000117359
 H     -2.427025      0.907639     -1.955063    0.00  -0.000044696   0.000003323  -0.000018579
 H     -2.413429      2.152303      0.230438    0.00  -0.000043736   0.000022783   0.000009900
 H     -1.419571      2.970977     -0.979640    0.00  -0.000005573   0.000023809   0.000016872
 H      0.663275      2.011263     -0.027262    0.00   0.000003522   0.000007233  -0.000009367
 H     -0.243540      2.852046      1.241455    0.00   0.000010796   0.000018892  -0.000012717
 H     -2.604179     -0.400944      0.202347    0.00  -0.000052019  -0.000002382  -0.000031735
 H     -1.078506      0.707385      2.177239    0.00   0.000007831  -0.000001158  -0.000010988
 H      0.670471      0.585120      1.971257    0.00   0.000030654  -0.000021698  -0.000006827
 H     -0.663365      0.766470     -1.914631    0.00  -0.000009521  -0.000007969  -0.000031753
 O     -0.740710     -1.621483      1.468775    0.00   0.000223588   0.001749997   0.000981334
 C     -1.829611     -1.701181     -1.331298    0.00  -0.000557793  -0.000300604  -0.000507196
 H     -1.874060     -2.618529     -0.729545    0.00  -0.000062877  -0.000086458  -0.000067463
 H     -2.754788     -1.655063     -1.918181    0.00  -0.000065849  -0.000028564   0.000021682
 H     -0.997734     -1.794584     -2.038540    0.00  -0.000009109   0.000020062  -0.000057251
 H     -0.255371     -2.460856      1.239457    0.00   0.000336063  -0.000967497  -0.000071584
 O      0.851319     -0.707726      0.055012    0.00  -0.001472746  -0.001618124   0.001265430
 O      1.089312     -1.543579     -1.062009    0.00   0.000906040   0.000182564   0.000015794
 C      1.313016     -2.870463     -0.756025    0.00   0.000947317   0.003136274   0.000600830
 H      1.832522     -3.286192     -1.629911    0.00   0.000253516   0.000737672   0.000323380
 O      0.937140     -3.438156      0.240321    0.00   0.000692871  -0.002368287  -0.001406862
26
 Energy =      -0.203428367177
 C     -0.270098      1.971630      0.571014    0.00   0.000024059   0.000065541  -0.000122107
 C     -1.483728      2.053883     -0.362998    0.00  -0.000210838   0.000154128  -0.000031102
 C     -1.562037      0.819870     -1.270944    0.00  -0.000333332  -0.000057916  -0.000309228
 C     -1.682673     -0.470800     -0.442398    0.00  -0.000376633  -0.000223066  -0.000430818
 C     -0.504901     -0.573795      0.544773    0.00  -0.000064462  -0.000357998   0.000018493
 C     -0.279146      0.692307      1.407285    0.00   0.000088376  -0.000180311  -0.000121861
 H     -2.425678      0.906047     -1.955924    0.00  -0.000043959   0.000001410  -0.000023664
 H     -2.413579      2.150165      0.229942    0.00  -0.000040616   0.000021461   0.000007016
 H     -1.420621      2.970292     -0.979884    0.00  -0.000004187   0.000022280   0.000013854
 H      0.663294      2.011507     -0.027798    0.00   0.000004482   0.000005902  -0.000010643
 H     -0.243914      2.852527      1.240460    0.00   0.000012955   0.000017387  -0.000015075
 H     -2.602379     -0.402501      0.201312    0.00  -0.000044262  -0.000001468  -0.000030616
 H     -1.078282      0.708036      2.177054    0.00   0.000012837  -0.000004497  -0.000012770
 H      0.670838      0.586802      1.971803    0.00   0.000033137  -0.000023177  -0.000009162
 H     -0.661956      0.766601     -1.915367    0.00  -0.000011690  -0.000013012  -0.000030963
 O     -0.746435     -1.622571      1.467302    0.00  -0.000035908   0.001854429   0.000810294
 C     -1.826753     -1.702145     -1.331873    0.00  -0.000527700  -0.000347960  -0.000476262
 H     -1.867866     -2.619122     -0.728993    0.00  -0.000067706  -0.000102935  -0.000077693
 H     -2.753518     -1.657963     -1.916356    0.00  -0.000071112  -0.000033586   0.000039816
 H     -0.996655     -1.794124     -2.041175    0.00   0.000004673   0.000023950  -0.000059222
 H     -0.223100     -2.446654      1.265839    0.00   0.000432748  -0.000970172  -0.000054356
 O      0.853734     -0.711419      0.060505    0.00  -0.001417874  -0.001459508   0.001238916
 O      1.087457     -1.541386     -1.062235    0.00   0.000931653   0.000379321   0.000183308
 C      1.302619     -2.870678     -0.762418    0.00   0.000891069   0.002810830   0.000593622
 H      1.800806     -3.290931     -1.646365    0.00   0.000238969   0.000656341   0.000299524
 O      0.943133     -3.433732      0.242603    0.00   0.000575320  -0.002237374  -0.001389301
26
 Energy =      -0.203738126722
 C     -0.269980      1.971849      0.570485    0.00   0.000039124   0.000044969  -0.000134389
 C     -1.483677      2.053063     -0.363556    0.00  -0.000184130   0.000131186  -0.000057738
 C     -1.560534      0.819160     -1.271698    0.00  -0.000309166  -0.000081651  -0.000316958
 C     -1.680516     -0.471309     -0.442999    0.00  -0.000306882  -0.000226252  -0.000388887
 C     -0.503875     -0.573467      0.545687    0.00  -0.000021311  -0.000343546   0.000050668
 C     -0.278523      0.692990      1.407498    0.00   0.000103058  -0.000198631  -0.000118721
 H     -2.424087      0.904527     -1.956925    0.00  -0.000042336  -0.000000545  -0.000028287
 H     -2.413666      2.148149      0.229378    0.00  -0.000036737   0.000019682   0.000003837
 H     -1.421584      2.969702     -0.980185    0.00  -0.000003190   0.000019857   0.000010303
 H      0.663380      2.011818     -0.028342    0.00   0.000004518   0.000004331  -0.000011299
 H     -0.244222      2.853150      1.239412    0.00   0.000013949   0.000015366  -0.000016654
 H     -2.600735     -0.403819      0.200260    0.00  -0.000036062  -0.000000395  -0.000029121
 H     -1.077992      0.708970      2.176936    0.00   0.000016750  -0.000007293  -0.000013881
 H      0.671286      0.588671      1.972344    0.00   0.000034140  -0.000023933  -0.000010987
 H     -0.660319      0.766693     -1.915943    0.00  -0.000013698  -0.000017682  -0.000029625
 O     -0.752082     -1.624248      1.465121    0.00  -0.000316303   0.001941861   0.000609811
 C     -1.823788     -1.703025     -1.332253    0.00  -0.000491477  -0.000384491  -0.000438397
 H     -1.860529     -2.619648     -0.728200    0.00  -0.000070810  -0.000116602  -0.000086886
 H     -2.752521     -1.661400     -1.913732    0.00  -0.000075600  -0.000038186   0.000056687
 H     -0.995830     -1.793078     -2.044104    0.00   0.000018207   0.000027779  -0.000059730
 H     -0.189973     -2.430063      1.294119    0.00   0.000524742  -0.000945103  -0.000030430
 O      0.855927     -0.715187      0.065847    0.00  -0.001336763  -0.001300054   0.001186939
 O      1.084880     -1.539336     -1.062505    0.00   0.000935763   0.000525032   0.000316111
 C      1.292643     -2.870819     -0.768258    0.00   0.000836011   0.002524402   0.000604985
 H      1.770444     -3.294985     -1.661392    0.00   0.000225151   0.000588444   0.000281488
 O      0.949286     -3.429469      0.244792    0.00   0.000493053  -0.002158545  -0.001348838
26
 Energy =      -0.204033669619
 C     -0.269793      1.972148      0.569968    0.00   0.000043289   0.000023679  -0.000138052
 C     -1.483529      2.052367     -0.364141    0.00  -0.000158941   0.000103991  -0.000082768
 C     -1.558926      0.818547     -1.272433    0.00  -0.000281401  -0.000102313  -0.000319439
 C     -1.678493     -0.471637     -0.443484    0.00  -0.000238225  -0.000221500  -0.000345333
 C     -0.502975     -0.573022      0.546664    0.00   0.000010859  -0.000317936   0.000077848
 C     -0.277869      0.693742      1.407789    0.00   0.000105245  -0.000207834  -0.000105309
 H     -2.422265      0.903118     -1.958060    0.00  -0.000039825  -0.000002479  -0.000032233
 H     -2.413676      2.146306      0.228747    0.00  -0.000032289   0.000017501   0.000000474
 H     -1.422395      2.969216     -0.980534    0.00  -0.000002664   0.000016478   0.000006372
 H      0.663545      2.012147     -0.028864    0.00   0.000003440   0.000002504  -0.000011150
 H     -0.244439      2.853868      1.238354    0.00   0.000013625   0.000012834  -0.000017288
 H     -2.599282     -0.404864      0.199199    0.00  -0.000027777   0.000000631  -0.000027470
 H     -1.077651      0.710137      2.176892    0.00   0.000019335  -0.000009389  -0.000014009
 H      0.671803      0.590651      1.972876    0.00   0.000033451  -0.000023902  -0.000011853
 H     -0.658466      0.766739     -1.916346    0.00  -0.000015369  -0.000021731  -0.000027911
 O     -0.757513     -1.626582      1.462147    0.00  -0.000591914   0.001991442   0.000387844
 C     -1.820771     -1.703811     -1.332433    0.00  -0.000449369  -0.000406597  -0.000395288
 H     -1.852134     -2.620099     -0.727198    0.00  -0.000071947  -0.000126355  -0.000094620
 H     -2.751830     -1.665358     -1.910320    0.00  -0.000078752  -0.000042109   0.000071483
 H     -0.995312     -1.791437     -2.047310    0.00   0.000030956   0.000031704  -0.000058686
 H     -0.157048     -2.411292      1.323797    0.00   0.000598640  -0.000883661  -0.000000504
 O      0.857895     -0.718930      0.070957    0.00  -0.001228678  -0.001141010   0.001104227
 O      1.081699     -1.537431     -1.062797    0.00   0.000921124   0.000630757   0.000419133
 C      1.282991     -2.870925     -0.773527    0.00   0.000783328   0.002265318   0.000634274
 H      1.741109     -3.298538     -1.675130    0.00   0.000212469   0.000529776   0.000269660
 O      0.955617     -3.425274      0.247041    0.00   0.000441392  -0.002119800  -0.001289403
26
 Energy =      -0.204313210669
 C     -0.269533      1.972479      0.569491    0.00   0.000035478   0.000001777  -0.000131308
 C     -1.483264      2.051794     -0.364742    0.00  -0.000136813   0.000072836  -0.000105266
 C     -1.557221      0.818040     -1.273146    0.00  -0.000251145  -0.000119325  -0.000317705
 C     -1.676624     -0.471783     -0.443871    0.00  -0.000174229  -0.000208932  -0.000303730
 C     -0.502203     -0.572502      0.547673    0.00   0.000030560  -0.000283331   0.000097403
 C     -0.277213      0.694498      1.408169    0.00   0.000095044  -0.000206642  -0.000079751
 H     -2.420220      0.901855     -1.959319    0.00  -0.000036474  -0.000004360  -0.000035384
 H     -2.413590      2.144672      0.228046    0.00  -0.000027507   0.000015016  -0.000002950
 H     -1.422987      2.968835     -0.980915    0.00  -0.000002660   0.000012108   0.000002196
 H      0.663804      2.012432     -0.029321    0.00   0.000001164   0.000000359  -0.000010019
 H     -0.244542      2.854617      1.237331    0.00   0.000011912   0.000009823  -0.000016832
 H     -2.598024     -0.405620      0.198125    0.00  -0.000019770   0.000001468  -0.000025848
 H     -1.077285      0.711469      2.176932    0.00   0.000020389  -0.000010515  -0.000012867
 H      0.672366      0.592654      1.973410    0.00   0.000030952  -0.000023007  -0.000011214
 H     -0.656406      0.766741     -1.916572    0.00  -0.000016546  -0.000024959  -0.000026007
 O     -0.762610     -1.629597      1.458340    0.00  -0.000830362   0.001984258   0.000161423
 C     -1.817745     -1.704499     -1.332429    0.00  -0.000401715  -0.000410909  -0.000349003
 H     -1.842769     -2.620471     -0.726045    0.00  -0.000070884  -0.000131265  -0.000100493
 H     -2.751470     -1.669807     -1.906141    0.00  -0.000080057  -0.000045138   0.000083444
 H     -0.995153     -1.789203     -2.050807    0.00   0.000042401   0.000035903  -0.000056008
 H     -0.125498     -2.390822      1.354182    0.00   0.000640933  -0.000783943   0.000032388
 O      0.859654     -0.722553      0.075768    0.00  -0.001093221  -0.000980917   0.000987938
 O      1.077981     -1.535664     -1.063105    0.00   0.000889224   0.000707658   0.000496697
 C      1.273528     -2.871018     -0.778220    0.00   0.000731760   0.002020337   0.000675885
 H      1.712371     -3.301775     -1.687717    0.00   0.000200436   0.000475855   0.000263083
 O      0.962178     -3.421044      0.249503    0.00   0.000411128  -0.002104155  -0.001216071
26
 Energy =      -0.204573574298
 C     -0.269191      1.972783      0.569095    0.00   0.000015997  -0.000020940  -0.000113141
 C     -1.482851      2.051339     -0.365346    0.00  -0.000119041   0.000038106  -0.000124573
 C     -1.555413      0.817645     -1.273845    0.00  -0.000219627  -0.000132482  -0.000312876
 C     -1.674905     -0.471758     -0.444189    0.00  -0.000117898  -0.000188921  -0.000266808
 C     -0.501548     -0.571955      0.548680    0.00   0.000037797  -0.000242009   0.000107588
 C     -0.276594      0.695186      1.408660    0.00   0.000073959  -0.000194337  -0.000041722
 H     -2.417944      0.900768     -1.960703    0.00  -0.000032355  -0.000006167  -0.000037661
 H     -2.413390      2.143268      0.227265    0.00  -0.000022616   0.000012321  -0.000006336
 H     -1.423281      2.968558     -0.981305    0.00  -0.000003214   0.000006771  -0.000002078
 H      0.664178      2.012592     -0.029657    0.00  -0.000002224  -0.000002214  -0.000007811
 H     -0.244513      2.855327      1.236395    0.00   0.000008906   0.000006397  -0.000015153
 H     -2.596943     -0.406071      0.197028    0.00  -0.000012399   0.000002065  -0.000024377
 H     -1.076939      0.712880      2.177065    0.00   0.000019812  -0.000010309  -0.000010303
 H      0.672930      0.594574      1.973984    0.00   0.000026725  -0.000021224  -0.000008545
 H     -0.654132      0.766705     -1.916632    0.00  -0.000017124  -0.000027234  -0.000024099
 O     -0.767280     -1.633267      1.453707    0.00  -0.001000644   0.001909353  -0.000046183
 C     -1.814749     -1.705091     -1.332271    0.00  -0.000348849  -0.000394627  -0.000301735
 H     -1.832512     -2.620769     -0.724815    0.00  -0.000067384  -0.000130669  -0.000104121
 H     -2.751478     -1.674722     -1.901211    0.00  -0.000079088  -0.000047115   0.000091884
 H     -0.995421     -1.786384     -2.054640    0.00   0.000052021   0.000040461  -0.000051589
 H     -0.096440     -2.369386      1.384448    0.00   0.000642237  -0.000653475   0.000063086
 O      0.861230     -0.725965      0.080212    0.00  -0.000931995  -0.000816994   0.000839245
 O      1.073746     -1.534038     -1.063439    0.00   0.000840143   0.000765205   0.000551636
 C      1.264117     -2.871105     -0.782332    0.00   0.000677779   0.001777577   0.000720610
 H      1.683796     -3.304871     -1.699248    0.00   0.000188083   0.000422775   0.000259757
 O      0.969061     -3.416679      0.252325    0.00   0.000390998  -0.002092315  -0.001134695
26
 Energy =       -0.20481131817
 C     -0.268761      1.972990      0.568832    0.00  -0.000012878  -0.000044985  -0.000083980
 C     -1.482247      2.050994     -0.365938    0.00  -0.000106379   0.000000428  -0.000140336
 C     -1.553479      0.817368     -1.274539    0.00  -0.000188099  -0.000142028  -0.000305792
 C     -1.673323     -0.471573     -0.444481    0.00  -0.000071092  -0.000162099  -0.000235615
 C     -0.500992     -0.571427      0.549652    0.00   0.000034503  -0.000196341   0.000108090
 C     -0.276063      0.695727      1.409290    0.00   0.000045094  -0.000171408   0.000006843
 H     -2.415423      0.899896     -1.962215    0.00  -0.000027608  -0.000007904  -0.000039044
 H     -2.413047      2.142114      0.226393    0.00  -0.000017861   0.000009513  -0.000009568
 H     -1.423177      2.968382     -0.981675    0.00  -0.000004295   0.000000619  -0.000006300
 H      0.664698      2.012542     -0.029789    0.00  -0.000006397  -0.000005338  -0.000004573
 H     -0.244332      2.855915      1.235616    0.00   0.000004905   0.000002663  -0.000012214
 H     -2.596014     -0.406209      0.195883    0.00  -0.000005939   0.000002477  -0.000023071
 H     -1.076693      0.714260      2.177293    0.00   0.000017724  -0.000008417  -0.000006381
 H      0.673419      0.596286      1.974670    0.00   0.000021135  -0.000018642  -0.000003527
 H     -0.651628      0.766645     -1.916541    0.00  -0.000017095  -0.000028497  -0.000022302
 O     -0.771466     -1.637516      1.448316    0.00  -0.001082916   0.001767632  -0.000212247
 C     -1.811834     -1.705582     -1.332004    0.00  -0.000291093  -0.000356305  -0.000255503
 H     -1.821452     -2.620985     -0.723601    0.00  -0.000061267  -0.000124260  -0.000105153
 H     -2.751898     -1.680062     -1.895548    0.00  -0.000075547  -0.000047936   0.000096195
 H     -0.996207     -1.782988     -2.058882    0.00   0.000059302   0.000045250  -0.000045333
 H     -0.070766     -2.347900      1.413690    0.00   0.000600983  -0.000508237   0.000085759
 O      0.862636     -0.729065      0.084192    0.00  -0.000750397  -0.000646772   0.000664843
 O      1.068961     -1.532572     -1.063832    0.00   0.000773411   0.000809983   0.000585265
 C      1.254658     -2.871184     -0.785841    0.00   0.000616209   0.001528885   0.000758090
 H      1.655055     -3.307988     -1.709747    0.00   0.000174311   0.000367858   0.000257063
 O      0.976383     -3.412098      0.255635    0.00   0.000371285  -0.002066140  -0.001051211
26
 Energy =      -0.205023853673
 C     -0.268229      1.973029      0.568774    0.00  -0.000046768  -0.000070771  -0.000046217
 C     -1.481393      2.050746     -0.366500    0.00  -0.000098665  -0.000039150  -0.000152528
 C     -1.551388      0.817223     -1.275244    0.00  -0.000157714  -0.000148671  -0.000296673
 C     -1.671868     -0.471237     -0.444796    0.00  -0.000033940  -0.000129667  -0.000209007
 C     -0.500523     -0.570965      0.550551    0.00   0.000024695  -0.000148100   0.000100416
 C     -0.275685      0.696033      1.410094    0.00   0.000012788  -0.000139827   0.000061613
 H     -2.412626      0.899290     -1.963860    0.00  -0.000022427  -0.000009573  -0.000039567
 H     -2.412523      2.141235      0.225408    0.00  -0.000013418   0.000006679  -0.000012570
 H     -1.422544      2.968307     -0.981987    0.00  -0.000005813  -0.000006034  -0.000010304
 H      0.665404      2.012190     -0.029600    0.00  -0.000010791  -0.000009080  -0.000000551
 H     -0.243984      2.856294      1.235093    0.00   0.000000442  -0.000001207  -0.000008134
 H     -2.595213     -0.406018      0.194663    0.00  -0.000000523   0.000002881  -0.000021823
 H     -1.076661      0.715479      2.177602    0.00   0.000014510  -0.000004729  -0.000001483
 H      0.673719      0.597643      1.975581    0.00   0.000014814  -0.000015461   0.000003686
 H     -0.648865      0.766573     -1.916316    0.00  -0.000016591  -0.000028836  -0.000020625
 O     -0.775133     -1.642221      1.442293    0.00  -0.001075935   0.001571747  -0.000322519
 C     -1.809068     -1.705963     -1.331694    0.00  -0.000228779  -0.000296832  -0.000211792
 H     -1.809736     -2.621112     -0.722515    0.00  -0.000052571  -0.000112206  -0.000103228
 H     -2.752794     -1.685746     -1.889197    0.00  -0.000069293  -0.000047457   0.000095884
 H     -0.997623     -1.779045     -2.063614    0.00   0.000063807   0.000049734  -0.000037300
 H     -0.049006     -2.327324      1.441015    0.00   0.000524820  -0.000367747   0.000096249
 O      0.863860     -0.731740      0.087575    0.00  -0.000558688  -0.000469863   0.000477353
 O      1.063563     -1.531313     -1.064337    0.00   0.000689152   0.000845027   0.000598217
 C      1.245129     -2.871252     -0.788704    0.00   0.000542144   0.001271634   0.000778939
 H      1.626020     -3.311275     -1.719145    0.00   0.000158159   0.000310161   0.000252219
 O      0.984267     -3.407245      0.259541    0.00   0.000346583  -0.002012651  -0.000970254
26
 Energy =      -0.205210209068
 C     -0.267576      1.972830      0.569020    0.00  -0.000079893  -0.000097960  -0.000004255
 C     -1.480213      2.050592     -0.367006    0.00  -0.000094439  -0.000078883  -0.000161452
 C     -1.549103      0.817223     -1.275966    0.00  -0.000129251  -0.000153371  -0.000284987
 C     -1.670549     -0.470765     -0.445184    0.00  -0.000004590  -0.000093186  -0.000183886
 C     -0.500150     -0.570611      0.551333    0.00   0.000012911  -0.000098702   0.000087856
 C     -0.275540      0.696016      1.411104    0.00  -0.000018312  -0.000102825   0.000116270
 H     -2.409514      0.899025     -1.965640    0.00  -0.000017074  -0.000011191  -0.000039373
 H     -2.411769      2.140666      0.224291    0.00  -0.000009374   0.000003877  -0.000015272
 H     -1.421221      2.968333     -0.982196    0.00  -0.000007588  -0.000012695  -0.000013937
 H      0.666353      2.011459     -0.028934    0.00  -0.000014698  -0.000013347   0.000003828
 H     -0.243466      2.856371      1.234947    0.00  -0.000003857  -0.000004991  -0.000003223
 H     -2.594538     -0.405486      0.193332    0.00   0.000003931   0.000003467  -0.000020424
 H     -1.077003      0.716387      2.177954    0.00   0.000010766   0.000000420   0.000003730
 H      0.673676      0.598474      1.976861    0.00   0.000008471  -0.000011909   0.000012284
 H     -0.645810      0.766497     -1.915963    0.00  -0.000015849  -0.000028485  -0.000018930
 O     -0.778266     -1.647232      1.435821    0.00  -0.000997549   0.001343099  -0.000376108
 C     -1.806566     -1.706206     -1.331429    0.00  -0.000162384  -0.000220376  -0.000171201
 H     -1.797637     -2.621128     -0.721694    0.00  -0.000041722  -0.000095258  -0.000097953
 H     -2.754241     -1.691615     -1.882277    0.00  -0.000060366  -0.000045397   0.000090720
 H     -0.999787     -1.774619     -2.068887    0.00   0.000065220   0.000053001  -0.000027883
 H     -0.031266     -2.308502      1.465657    0.00   0.000428683  -0.000248520   0.000093829
 O      0.864851     -0.733876      0.090175    0.00  -0.000371238  -0.000289480   0.000293483
 O      1.057489     -1.530344     -1.065034    0.00   0.000589461   0.000869716   0.000591703
 C      1.235620     -2.871320     -0.790851    0.00   0.000453544   0.001009367   0.000776436
 H      1.596858     -3.314866     -1.727277    0.00   0.000138968   0.000250709   0.000242750
 O      0.992832     -3.402091      0.264129    0.00   0.000316230  -0.001927081  -0.000894008
26
 Energy =      -0.205371290882
 C     -0.266783      1.972344      0.569675    0.00  -0.000106776  -0.000124822   0.000036376
 C     -1.478623      2.050537     -0.367425    0.00  -0.000091079  -0.000116280  -0.000167494
 C     -1.546594      0.817394     -1.276699    0.00  -0.000102834  -0.000156865  -0.000269736
 C     -1.669416     -0.470163     -0.445686    0.00   0.000020157  -0.000055002  -0.000156770
 C     -0.499911     -0.570400      0.551947    0.00   0.000002698  -0.000049487   0.000074303
 C     -0.275717      0.695599      1.412343    0.00  -0.000044760  -0.000064281   0.000163523
 H     -2.406047      0.899197     -1.967551    0.00  -0.000011851  -0.000012739  -0.000038621
 H     -2.410728      2.140468      0.223022    0.00  -0.000005693   0.000001172  -0.000017634
 H     -1.419036      2.968468     -0.982265    0.00  -0.000009370  -0.000018786  -0.000017054
 H      0.667608      2.010313     -0.027614    0.00  -0.000017467  -0.000017789   0.000008019
 H     -0.242788      2.856068      1.235332    0.00  -0.000007442  -0.000008422   0.000002018
 H     -2.594024     -0.404587      0.191863    0.00   0.000007661   0.000004299  -0.000018663
 H     -1.077891      0.716841      2.178292    0.00   0.000007049   0.000006207   0.000008432
 H      0.673122      0.598611      1.978652    0.00   0.000002710  -0.000008186   0.000020869
 H     -0.642429      0.766408     -1.915473    0.00  -0.000015100  -0.000027744  -0.000017002
 O     -0.780845     -1.652382      1.429128    0.00  -0.000877933   0.001107549  -0.000384232
 C     -1.804499     -1.706265     -1.331310    0.00  -0.000092863  -0.000134442  -0.000133205
 H     -1.785630     -2.620997     -0.721289    0.00  -0.000029677  -0.000074898  -0.000088888
 H     -2.756297     -1.697391     -1.875036    0.00  -0.000048960  -0.000041231   0.000081041
 H     -1.002778     -1.769829     -2.074666    0.00   0.000063426   0.000053991  -0.000018028
 H     -0.017223     -2.291999      1.487095    0.00   0.000329884  -0.000159195   0.000081390
 O      0.865514     -0.735376      0.091779    0.00  -0.000203363  -0.000113387   0.000130087
 O      1.050701     -1.529784     -1.066014    0.00   0.000479136   0.000880617   0.000568533
 C      1.226357     -2.871424     -0.792192    0.00   0.000353345   0.000751362   0.000747777
 H      1.568101     -3.318874     -1.733905    0.00   0.000116587   0.000192435   0.000226970
 O      1.002157     -3.396636      0.269448    0.00   0.000282517  -0.001814078  -0.000822012
26
 Energy =      -0.205509718708
 C     -0.265835      1.971556      0.570836    0.00  -0.000124155  -0.000148335   0.000070426
 C     -1.476555      2.050604     -0.367724    0.00  -0.000085711  -0.000148450  -0.000170766
 C     -1.543851      0.817762     -1.277417    0.00  -0.000077876  -0.000159001  -0.000250188
 C     -1.668562     -0.469435     -0.446316    0.00   0.000043439  -0.000018210  -0.000125990
 C     -0.499870     -0.570361      0.552332    0.00  -0.000004457  -0.000002574   0.000062623
 C     -0.276278      0.694727      1.413800    0.00  -0.000065351  -0.000028145   0.000196968
 H     -2.402204      0.899909     -1.969574    0.00  -0.000007023  -0.000014151  -0.000037406
 H     -2.409351      2.140723      0.221596    0.00  -0.000002299  -0.000001378  -0.000019606
 H     -1.415836      2.968724     -0.982165    0.00  -0.000010897  -0.000023783  -0.000019491
 H      0.669222      2.008776     -0.025479    0.00  -0.000018751  -0.000021825   0.000011513
 H     -0.241984      2.855333      1.236393    0.00  -0.000010035  -0.000011247   0.000006996
 H     -2.593752     -0.403288      0.190255    0.00   0.000010922   0.000005214  -0.000016455
 H     -1.079463      0.716730      2.178544    0.00   0.000003705   0.000011496   0.000011867
 H      0.671922      0.597908      1.981038    0.00  -0.000002146  -0.000004449   0.000027850
 H     -0.638714      0.766283     -1.914803    0.00  -0.000014417  -0.000026796  -0.000014687
 O     -0.782857     -1.657516      1.422442    0.00  -0.000748361   0.000891011  -0.000364215
 C     -1.803080     -1.706070     -1.331434    0.00  -0.000022086  -0.000048745  -0.000096491
 H     -1.774431     -2.620672     -0.721429    0.00  -0.000017878  -0.000053293  -0.000075784
 H     -2.758983     -1.702664     -1.867888    0.00  -0.000035447  -0.000034338   0.000068062
 H     -1.006594     -1.764871     -2.080771    0.00   0.000058573   0.000052048  -0.000009204
 H     -0.006248     -2.278015      1.505132    0.00   0.000242455  -0.000099639   0.000063936
 O      0.865728     -0.736195      0.092185    0.00  -0.000067192   0.000047100  -0.000000491
 O      1.043234     -1.529768     -1.067358    0.00   0.000365389   0.000873392   0.000533439
 C      1.217706     -2.871616     -0.792644    0.00   0.000249932   0.000510903   0.000694394
 H      1.540642     -3.323384     -1.738767    0.00   0.000091701   0.000139469   0.000204556
 O      1.012260     -3.390912      0.275502    0.00   0.000247965  -0.001686275  -0.000751855
26
 Energy =       -0.20562934075
 C     -0.264729      1.970495      0.572540    0.00  -0.000132101  -0.000165449   0.000094481
 C     -1.473987      2.050834     -0.367878    0.00  -0.000076645  -0.000173036  -0.000170833
 C     -1.540922      0.818355     -1.278071    0.00  -0.000053487  -0.000158639  -0.000226652
 C     -1.668110     -0.468568     -0.447052    0.00   0.000066915   0.000013912  -0.000093052
 C     -0.500108     -0.570518      0.552437    0.00  -0.000008757   0.000039415   0.000053573
 C     -0.277232      0.693386      1.415419    0.00  -0.000080952   0.000002118   0.000213191
 H     -2.398016      0.901247     -1.971668    0.00  -0.000002749  -0.000015290  -0.000035674
 H     -2.407615      2.141526      0.220029    0.00   0.000000806  -0.000003724  -0.000021087
 H     -1.411561      2.969123     -0.981892    0.00  -0.000011947  -0.000027388  -0.000021060
 H      0.671212      2.006944     -0.022459    0.00  -0.000018653  -0.000024812   0.000013960
 H     -0.241099      2.854155      1.238228    0.00  -0.000011690  -0.000013288   0.000011120
 H     -2.593825     -0.401550      0.188550    0.00   0.000013850   0.000005893  -0.000013931
 H     -1.081736      0.716000      2.178652    0.00   0.000000821   0.000015272   0.000013646
 H      0.670051      0.596288      1.983974    0.00  -0.000006053  -0.000000894   0.000032047
 H     -0.634708      0.766093     -1.913903    0.00  -0.000013642  -0.000025581  -0.000012025
 O     -0.784313     -1.662521      1.415948    0.00  -0.000631530   0.000714080  -0.000332464
 C     -1.802544     -1.705542     -1.331860    0.00   0.000046747   0.000027444  -0.000059967
 H     -1.764942     -2.620096     -0.722160    0.00  -0.000007764  -0.000032911  -0.000059157
 H     -2.762268     -1.706925     -1.861374    0.00  -0.000020587  -0.000024615   0.000053802
 H     -1.011111     -1.760010     -2.086854    0.00   0.000051253   0.000047395  -0.000002865
 H      0.002413     -2.266414      1.519900    0.00   0.000173727  -0.000063617   0.000046359
 O      0.865383     -0.736362      0.091278    0.00   0.000031702   0.000180338  -0.000093374
 O      1.035242     -1.530412     -1.069102    0.00   0.000256335   0.000845828   0.000492176
 C      1.210101     -2.871957     -0.792161    0.00   0.000154360   0.000301713   0.000622215
 H      1.515574     -3.328425     -1.741671    0.00   0.000066145   0.000095611   0.000177097
 O      1.023075     -3.384992      0.282229    0.00   0.000213897  -0.001559777  -0.000681526
26
 Energy =      -0.205734494029
 C     -0.263478      1.969224      0.574744    0.00  -0.000133314  -0.000174677   0.000107679
 C     -1.470977      2.051268     -0.367870    0.00  -0.000064157  -0.000189198  -0.000167049
 C     -1.537912      0.819197     -1.278611    0.00  -0.000029089  -0.000154534  -0.000200630
 C     -1.668168     -0.467544     -0.447846    0.00   0.000090169   0.000039260  -0.000061615
 C     -0.500676     -0.570874      0.552225    0.00  -0.000011188   0.000074203   0.000046337
 C     -0.278504      0.691609      1.417100    0.00  -0.000093197   0.000024424   0.000213052
 H     -2.393610      0.903245     -1.973759    0.00   0.000000953  -0.000016007  -0.000033354
 H     -2.405546      2.142939      0.218385    0.00   0.000003475  -0.000005844  -0.000021903
 H     -1.406296      2.969691     -0.981456    0.00  -0.000012385  -0.000029590  -0.000021627
 H      0.673534      2.004954     -0.018634    0.00  -0.000017661  -0.000026368   0.000015248
 H     -0.240162      2.852571      1.240829    0.00  -0.000012701  -0.000014543   0.000013974
 H     -2.594316     -0.399343      0.186844    0.00   0.000016410   0.000006090  -0.000011376
 H     -1.084557      0.714675      2.178600    0.00  -0.000001628   0.000017082   0.000013925
 H      0.667635      0.593781      1.987264    0.00  -0.000009160   0.000002191   0.000033179
 H     -0.630544      0.765832     -1.912754    0.00  -0.000012523  -0.000023912  -0.000009273
 O     -0.785285     -1.667333      1.409734    0.00  -0.000537525   0.000586407  -0.000300285
 C     -1.803070     -1.704618     -1.332582    0.00   0.000109384   0.000088380  -0.000024062
 H     -1.758014     -2.619221     -0.723402    0.00   0.000000061  -0.000015644  -0.000040886
 H     -2.766065     -1.709706     -1.856010    0.00  -0.000005775  -0.000013316   0.000040354
 H     -1.016102     -1.755540     -2.092481    0.00   0.000042657   0.000041164   0.000000636
 H      0.009430     -2.256846      1.531775    0.00   0.000124479  -0.000042978   0.000031871
 O      0.864434     -0.735986      0.089101    0.00   0.000094957   0.000279252  -0.000151255
 O      1.026988     -1.531770     -1.071206    0.00   0.000158909   0.000800252   0.000450112
 C      1.203919     -2.872494     -0.790772    0.00   0.000075369   0.000133123   0.000540774
 H      1.493851     -3.333947     -1.742599    0.00   0.000042582   0.000062496   0.000148052
 O      1.034449     -3.378983      0.289502    0.00   0.000180900  -0.001447713  -0.000611878
26
 Energy =      -0.205829182935
 C     -0.262108      1.967814      0.577318    0.00  -0.000131198  -0.000176755   0.000111400
 C     -1.467650      2.051928     -0.367691    0.00  -0.000049930  -0.000197900  -0.000159239
 C     -1.534972      0.820297     -1.279009    0.00  -0.000004852  -0.000146487  -0.000174132
 C     -1.668775     -0.466338     -0.448645    0.00   0.000111436   0.000057533  -0.000035019
 C     -0.501578     -0.571415      0.551691    0.00  -0.000012507   0.000101013   0.000039941
 C     -0.279956      0.689473      1.418730    0.00  -0.000103305   0.000038729   0.000200852
 H     -2.389192      0.905870     -1.975749    0.00   0.000004190  -0.000016204  -0.000030477
 H     -2.403211      2.144944      0.216765    0.00   0.000005568  -0.000007739  -0.000021925
 H     -1.400275      2.970444     -0.980860    0.00  -0.000012189  -0.000030610  -0.000021218
 H      0.676093      2.002928     -0.014236    0.00  -0.000016372  -0.000026508   0.000015458
 H     -0.239174      2.850651      1.244066    0.00  -0.000013372  -0.000015184   0.000015451
 H     -2.595232     -0.396672      0.185249    0.00   0.000018459   0.000005789  -0.000009064
 H     -1.087649      0.712848      2.178418    0.00  -0.000003667   0.000017141   0.000013226
 H      0.664923      0.590514      1.990623    0.00  -0.000011646   0.000004555   0.000031855
 H     -0.626428      0.765534     -1.911400    0.00  -0.000010942  -0.000021725  -0.000006771
 O     -0.785914     -1.671946      1.403787    0.00  -0.000466291   0.000504817  -0.000273009
 C     -1.804717     -1.703277     -1.333530    0.00   0.000161899   0.000133170   0.000008978
 H     -1.754152     -2.618026     -0.724976    0.00   0.000006140  -0.000002156  -0.000023761
 H     -2.770268     -1.710744     -1.852107    0.00   0.000007260  -0.000002802   0.000028974
 H     -1.021318     -1.751691     -2.097291    0.00   0.000034306   0.000034780   0.000002396
 H      0.015273     -2.248888      1.541278    0.00   0.000091501  -0.000030911   0.000021602
 O      0.862929     -0.735230      0.085857    0.00   0.000129377   0.000344113  -0.000181759
 O      1.018782     -1.533805     -1.073555    0.00   0.000077151   0.000743371   0.000411029
 C      1.199343     -2.873239     -0.788584    0.00   0.000015668   0.000006422   0.000460844
 H      1.475938     -3.339841     -1.741744    0.00   0.000023331   0.000039026   0.000121392
 O      1.046195     -3.372997      0.297152    0.00   0.000149985  -0.001355477  -0.000547024
26
 Energy =      -0.205916520004
 C     -0.260642      1.966323      0.580106    0.00  -0.000128265  -0.000173761   0.000108202
 C     -1.464159      2.052808     -0.367337    0.00  -0.000035762  -0.000201099  -0.000148034
 C     -1.532244      0.821650     -1.279256    0.00   0.000018484  -0.000135554  -0.000148744
 C     -1.669895     -0.464944     -0.449417    0.00   0.000129056   0.000069870  -0.000014636
 C     -0.502764     -0.572107      0.550854    0.00  -0.000013126   0.000120490   0.000033920
 C     -0.281433      0.687070      1.420221    0.00  -0.000111680   0.000046555   0.000181960
 H     -2.384983      0.909041     -1.977545    0.00   0.000007058  -0.000015915  -0.000027230
 H     -2.400692      2.147447      0.215296    0.00   0.000007053  -0.000009420  -0.000021152
 H     -1.393803      2.971388     -0.980090    0.00  -0.000011439  -0.000030762  -0.000020063
 H      0.678783      2.000929     -0.009553    0.00  -0.000015205  -0.000025559   0.000014827
 H     -0.238089      2.848482      1.247745    0.00  -0.000013906  -0.000015461   0.000015718
 H     -2.596516     -0.393587      0.183849    0.00   0.000019882   0.000005163  -0.000007131
 H     -1.090719      0.710647      2.178155    0.00  -0.000005303   0.000016046   0.000012072
 H      0.662182      0.586665      1.993792    0.00  -0.000013636   0.000006145   0.000029064
 H     -0.622568      0.765267     -1.909936    0.00  -0.000008968  -0.000019160  -0.000004733
 O     -0.786366     -1.676379      1.398019    0.00  -0.000412894   0.000457741  -0.000251474
 C     -1.807405     -1.701548     -1.334621    0.00   0.000202344   0.000164204   0.000036359
 H     -1.753359     -2.616521     -0.726693    0.00   0.000011331   0.000007900  -0.000009998
 H     -2.774774     -1.710049     -1.849695    0.00   0.000017331   0.000005044   0.000019904
 H     -1.026571     -1.748549     -2.101124    0.00   0.000027379   0.000029238   0.000003821
 H      0.020210     -2.242148      1.548949    0.00   0.000070278  -0.000023151   0.000015125
 O      0.860983     -0.734260      0.081834    0.00   0.000143608   0.000381178  -0.000193792
 O      1.010872     -1.536421     -1.076016    0.00   0.000011767   0.000683119   0.000376976
 C      1.196323     -2.874176     -0.785749    0.00  -0.000027244  -0.000084133   0.000390755
 H      1.461712     -3.345974     -1.739431    0.00   0.000009201   0.000022713   0.000099649
 O      1.058142     -3.367119      0.305023    0.00   0.000122657  -0.001281430  -0.000491363
26
 Energy =      -0.205998619573
 C     -0.259090      1.964785      0.582963    0.00  -0.000125670  -0.000167856   0.000100730
 C     -1.460633      2.053876     -0.366804    0.00  -0.000022817  -0.000200785  -0.000134560
 C     -1.529828      0.823241     -1.279365    0.00   0.000040112  -0.000123262  -0.000125335
 C     -1.671446     -0.463370     -0.450149    0.00   0.000142279   0.000077767  -0.000000098
 C     -0.504170     -0.572908      0.549753    0.00  -0.000013227   0.000133982   0.000028269
 C     -0.282817      0.684484      1.421524    0.00  -0.000118373   0.000049947   0.000160746
 H     -2.381157      0.912661     -1.979076    0.00   0.000009614  -0.000015270  -0.000023831
 H     -2.398061      2.150322      0.214087    0.00   0.000008009  -0.000010899  -0.000019752
 H     -1.387164      2.972514     -0.979123    0.00  -0.000010290  -0.000030348  -0.000018435
 H      0.681516      1.998965     -0.004852    0.00  -0.000014335  -0.000023925   0.000013650
 H     -0.236848      2.846136      1.251664    0.00  -0.000014377  -0.000015573   0.000015106
 H     -2.598081     -0.390176      0.182679    0.00   0.000020660   0.000004432  -0.000005579
 H     -1.093558      0.708193      2.177862    0.00  -0.000006571   0.000014393   0.000010777
 H      0.659609      0.582403      1.996605    0.00  -0.000015188   0.000007105   0.000025699
 H     -0.619127      0.765100     -1.908461    0.00  -0.000006778  -0.000016452  -0.000003201
 O     -0.786782     -1.680662      1.392341    0.00  -0.000371769   0.000432122  -0.000234457
 C     -1.810962     -1.699480     -1.335793    0.00   0.000231170   0.000184733   0.000056254
 H     -1.755259     -2.614737     -0.728435    0.00   0.000015974   0.000015214  -0.000000275
 H     -2.779491     -1.707836     -1.848604    0.00   0.000024286   0.000009854   0.000012845
 H     -1.031755     -1.746066     -2.104020    0.00   0.000022278   0.000024856   0.000005489
 H      0.024387     -2.236310      1.555260    0.00   0.000056715  -0.000017554   0.000011393
 O      0.858726     -0.733210      0.077309    0.00   0.000145332   0.000398764  -0.000194875
 O      1.003390     -1.539498     -1.078472    0.00  -0.000038974   0.000625569   0.000348680
 C      1.194650     -2.875273     -0.782420    0.00  -0.000057638  -0.000147035   0.000334102
 H      1.450661     -3.352244     -1.736007    0.00  -0.000000447   0.000011256   0.000083255
 O      1.070178     -3.361388      0.312998    0.00   0.000100026  -0.001221035  -0.000446595
26
 Energy =      -0.206076796266
 C     -0.257458      1.963219      0.585792    0.00  -0.000123658  -0.000160619   0.000091145
 C     -1.457162      2.055100     -0.366089    0.00  -0.000011538  -0.000198446  -0.000119944
 C     -1.527774      0.825044     -1.279349    0.00   0.000059487  -0.000110885  -0.000104165
 C     -1.673329     -0.461638     -0.450847    0.00   0.000151270   0.000082589   0.000009726
 C     -0.505734     -0.573786      0.548431    0.00  -0.000012989   0.000142839   0.000023043
 C     -0.284043      0.681780      1.422627    0.00  -0.000123371   0.000050622   0.000139896
 H     -2.377818      0.916643     -1.980302    0.00   0.000011858  -0.000014443  -0.000020480
 H     -2.395368      2.153440      0.213219    0.00   0.000008550  -0.000012187  -0.000017946
 H     -1.380567      2.973807     -0.977938    0.00  -0.000008919  -0.000029602  -0.000016582
 H      0.684234      1.997014     -0.000319    0.00  -0.000013747  -0.000021948   0.000012207
 H     -0.235388      2.843671      1.255671    0.00  -0.000014803  -0.000015619   0.000013947
 H     -2.599844     -0.386538      0.181736    0.00   0.000020870   0.000003751  -0.000004338
 H     -1.096052      0.705587      2.177567    0.00  -0.000007518   0.000012592   0.000009491
 H      0.657316      0.577863      1.998996    0.00  -0.000016351   0.000007639   0.000022313
 H     -0.616193      0.765093     -1.907053    0.00  -0.000004534  -0.000013796  -0.000002082
 O     -0.787258     -1.684816      1.386689    0.00  -0.000338617   0.000417731  -0.000220420
 C     -1.815186     -1.697131     -1.337021    0.00   0.000250274   0.000197551   0.000068375
 H     -1.759308     -2.612713     -0.730165    0.00   0.000019950   0.000020424   0.000005907
 H     -2.784336     -1.704390     -1.848594    0.00   0.000028674   0.000012314   0.000007375
 H     -1.036827     -1.744109     -2.106136    0.00   0.000018809   0.000021534   0.000007212
 H      0.027888     -2.231145      1.560576    0.00   0.000047815  -0.000013181   0.000009368
 O      0.856267     -0.732171      0.072489    0.00   0.000140067   0.000404186  -0.000190201
 O      0.996369     -1.542939     -1.080854    0.00  -0.000077880   0.000573975   0.000325973
 C      1.194069     -2.876503     -0.778719    0.00  -0.000079230  -0.000190130   0.000290523
 H      1.442161     -3.358587     -1.731756    0.00  -0.000006814   0.000003055   0.000071349
 O      1.082240     -3.355805      0.321010    0.00   0.000082343  -0.001169945  -0.000411691
26
 Energy =      -0.206151832596
 C     -0.255750      1.961634      0.588534    0.00  -0.000122023  -0.000152989   0.000080910
 C     -1.453799      2.056444     -0.365192    0.00  -0.000001943  -0.000195000  -0.000105030
 C     -1.526097      0.827039     -1.279221    0.00   0.000076408  -0.000099204  -0.000085232
 C     -1.675462     -0.459778     -0.451520    0.00   0.000156639   0.000085297   0.000016044
 C     -0.507407     -0.574710      0.546926    0.00  -0.000012541   0.000148216   0.000018291
 C     -0.285083      0.679003      1.423538    0.00  -0.000126817   0.000049782   0.000120672
 H     -2.375011      0.920917     -1.981205    0.00   0.000013789  -0.000013564  -0.000017295
 H     -2.392648      2.156706      0.212739    0.00   0.000008786  -0.000013292  -0.000015949
 H     -1.374150      2.975251     -0.976523    0.00  -0.000007470  -0.000028677  -0.000014651
 H      0.686906      1.995046      0.003937    0.00  -0.000013356  -0.000019859   0.000010699
 H     -0.233670      2.841128      1.259661    0.00  -0.000015169  -0.000015627   0.000012518
 H     -2.601739     -0.382775      0.180992    0.00   0.000020629   0.000003196  -0.000003333
 H     -1.098167      0.702898      2.177286    0.00  -0.000008210   0.000010858   0.000008272
 H      0.655342      0.573136      2.000959    0.00  -0.000017178   0.000007914   0.000019182
 H     -0.613799      0.765284     -1.905759    0.00  -0.000002354  -0.000011325  -0.000001262
 O     -0.787840     -1.688855      1.381034    0.00  -0.000310652   0.000408098  -0.000208248
 C     -1.819886     -1.694546     -1.338308    0.00   0.000261891   0.000204794   0.000073601
 H     -1.764968     -2.610490     -0.731905    0.00   0.000023084   0.000024038   0.000009442
 H     -2.789239     -1.699991     -1.849440    0.00   0.000031219   0.000013305   0.000003115
 H     -1.041768     -1.742519     -2.107660    0.00   0.000016565   0.000019027   0.000008631
 H      0.030782     -2.226492      1.565155    0.00   0.000041674  -0.000009628   0.000008314
 O      0.853683     -0.731196      0.067511    0.00   0.000131272   0.000402615  -0.000182936
 O      0.989777     -1.546667     -1.083125    0.00  -0.000107782   0.000529287   0.000308140
 C      1.194341     -2.877842     -0.774737    0.00  -0.000094661  -0.000219399   0.000257792
 H      1.435632     -3.364974     -1.726892    0.00  -0.000010985  -0.000002915   0.000062764
 O      1.094295     -3.350355      0.329023    0.00   0.000069185  -0.001124948  -0.000384456
26
 Energy =       -0.20622418767
 C     -0.253969      1.960033      0.591161    0.00  -0.000120470  -0.000145438   0.000070926
 C     -1.450573      2.057884     -0.364116    0.00   0.000006155  -0.000190942  -0.000090358
 C     -1.524786      0.829206     -1.278992    0.00   0.000090909  -0.000088589  -0.000068392
 C     -1.677776     -0.457815     -0.452183    0.00   0.000159127   0.000086544   0.000019849
 C     -0.509151     -0.575664      0.545273    0.00  -0.000011981   0.000151005   0.000013980
 C     -0.285933      0.676183      1.424271    0.00  -0.000128925   0.000048150   0.000103466
 H     -2.372739      0.925430     -1.981786    0.00   0.000015413  -0.000012715  -0.000014344
 H     -2.389921      2.160044      0.212667    0.00   0.000008802  -0.000014224  -0.000013910
 H     -1.367993      2.976826     -0.974870    0.00  -0.000006037  -0.000027670  -0.000012729
 H      0.689514      1.993043      0.007864    0.00  -0.000013066  -0.000017797   0.000009250
 H     -0.231678      2.838533      1.263576    0.00  -0.000015466  -0.000015596   0.000011011
 H     -2.603720     -0.378967      0.180413    0.00   0.000020058   0.000002785  -0.000002505
 H     -1.099908      0.700170      2.177023    0.00  -0.000008707   0.000009275   0.000007146
 H      0.653687      0.568286      2.002522    0.00  -0.000017730   0.000008037   0.000016389
 H     -0.611938      0.765692     -1.904602    0.00  -0.000000303  -0.000009098  -0.000000643
 O     -0.788545     -1.692784      1.375367    0.00  -0.000286234   0.000399749  -0.000197297
 C     -1.824905     -1.691764     -1.339670    0.00   0.000267982   0.000208035   0.000073343
 H     -1.771781     -2.608103     -0.733700    0.00   0.000025336   0.000026460   0.000011154
 H     -2.794142     -1.694868     -1.850962    0.00   0.000032520   0.000013484  -0.000000233
 H     -1.046567     -1.741153     -2.108772    0.00   0.000015159   0.000017103   0.000009545
 H      0.033130     -2.222244      1.569175    0.00   0.000037173  -0.000006693   0.000007770
 O      0.851023     -0.730313      0.062448    0.00   0.000120913   0.000397252  -0.000174827
 O      0.983559     -1.550638     -1.085276    0.00  -0.000131027   0.000491127   0.000294235
 C      1.195267     -2.879277     -0.770536    0.00  -0.000105708  -0.000239045   0.000233363
 H      1.430612     -3.371403     -1.721560    0.00  -0.000013728  -0.000007322   0.000056506
 O      1.106328     -3.345007      0.337022    0.00   0.000059837  -0.001083877  -0.000362696
26
 Energy =      -0.206294132705
 C     -0.252119      1.958421      0.593664    0.00  -0.000118756  -0.000138168   0.000061677
 C     -1.447499      2.059397     -0.362862    0.00   0.000012992  -0.000186523  -0.000076232
 C     -1.523819      0.831523     -1.278668    0.00   0.000103160  -0.000079142  -0.000053467
 C     -1.680219     -0.455777     -0.452843    0.00   0.000159414   0.000086770   0.000021868
 C     -0.510942     -0.576633      0.543498    0.00  -0.000011405   0.000151883   0.000010048
 C     -0.286598      0.673340      1.424842    0.00  -0.000129940   0.000046122   0.000088223
 H     -2.370983      0.930142     -1.982051    0.00   0.000016746  -0.000011934  -0.000011657
 H     -2.387204      2.163405      0.213005    0.00   0.000008661  -0.000014986  -0.000011915
 H     -1.362139      2.978520     -0.972979    0.00  -0.000004674  -0.000026631  -0.000010867
 H      0.692052      1.990991      0.011443    0.00  -0.000012800  -0.000015839   0.000007923
 H     -0.229409      2.835902      1.267388    0.00  -0.000015687  -0.000015511   0.000009546
 H     -2.605755     -0.375181      0.179964    0.00   0.000019261   0.000002496  -0.000001813
 H     -1.101296      0.697430      2.176780    0.00  -0.000009064   0.000007867   0.000006122
 H      0.652337      0.563354      2.003719    0.00  -0.000018062   0.000008067   0.000013930
 H     -0.610587      0.766329     -1.903586    0.00   0.000001588  -0.000007135  -0.000000157
 O     -0.789370     -1.696606      1.369697    0.00  -0.000264410   0.000391088  -0.000187238
 C     -1.830118     -1.688813     -1.341127    0.00   0.000270072   0.000208410   0.000069093
 H     -1.779390     -2.605583     -0.735603    0.00   0.000026793   0.000027999   0.000011665
 H     -2.798998     -1.689195     -1.853028    0.00   0.000033002   0.000013248  -0.000002895
 H     -1.051222     -1.739891     -2.109617    0.00   0.000014300   0.000015589   0.000009927
 H      0.034991     -2.218326      1.572755    0.00   0.000033680  -0.000004249   0.000007476
 O      0.848320     -0.729537      0.057345    0.00   0.000110077   0.000389917  -0.000166790
 O      0.977650     -1.554819     -1.087304    0.00  -0.000149369   0.000458500   0.000283310
 C      1.196698     -2.880797     -0.766159    0.00  -0.000113574  -0.000251897   0.000215065
 H      1.426750     -3.377876     -1.715855    0.00  -0.000015542  -0.000010618   0.000051854
 O      1.118327     -3.339740      0.345004    0.00   0.000053537  -0.001045321  -0.000344695
26
 Energy =      -0.206361831396
 C     -0.250211      1.956802      0.596043    0.00  -0.000116715  -0.000131239   0.000053381
 C     -1.444584      2.060969     -0.361435    0.00   0.000018783  -0.000181850  -0.000062800
 C     -1.523174      0.833978     -1.278253    0.00   0.000113371  -0.000070831  -0.000040284
 C     -1.682752     -0.453680     -0.453510    0.00   0.000158077   0.000086260   0.000022637
 C     -0.512761     -0.577609      0.541620    0.00  -0.000010844   0.000151326   0.000006406
 C     -0.287093      0.670484      1.425270    0.00  -0.000130090   0.000043919   0.000074732
 H     -2.369714      0.935022     -1.982016    0.00   0.000017813  -0.000011237  -0.000009241
 H     -2.384508      2.166750      0.213746    0.00   0.000008409  -0.000015589  -0.000010015
 H     -1.356610      2.980320     -0.970854    0.00  -0.000003402  -0.000025585  -0.000009085
 H      0.694513      1.988893      0.014680    0.00  -0.000012509  -0.000014021   0.000006739
 H     -0.226876      2.833248      1.271086    0.00  -0.000015827  -0.000015367   0.000008191
 H     -2.607821     -0.371462      0.179618    0.00   0.000018320   0.000002307  -0.000001232
 H     -1.102360      0.694692      2.176556    0.00  -0.000009322   0.000006618   0.000005196
 H      0.651269      0.558367      2.004586    0.00  -0.000018223   0.000008039   0.000011761
 H     -0.609712      0.767199     -1.902707    0.00   0.000003308  -0.000005431   0.000000236
 O     -0.790303     -1.700321      1.364033    0.00  -0.000244652   0.000381566  -0.000177924
 C     -1.835433     -1.685711     -1.342697    0.00   0.000269277   0.000206733   0.000062160
 H     -1.787526     -2.602953     -0.737656    0.00   0.000027590   0.000028886   0.000011405
 H     -2.803770     -1.683107     -1.855540    0.00   0.000032946   0.000012810  -0.000005027
 H     -1.055730     -1.738640     -2.110307    0.00   0.000013787   0.000014362   0.000009849
 H      0.036418     -2.214684      1.575978    0.00   0.000030843  -0.000002211   0.000007291
 O      0.845593     -0.728873      0.052221    0.00   0.000099306   0.000381568  -0.000159224
 O      0.971996     -1.559194     -1.089219    0.00  -0.000164060   0.000430329   0.000274539
 C      1.198516     -2.882397     -0.761635    0.00  -0.000119060  -0.000259896   0.000201199
 H      1.423780     -3.384405     -1.709843    0.00  -0.000016729  -0.000013110   0.000048313
 O      1.130287     -3.334527      0.352967    0.00   0.000049605  -0.001008356  -0.000329202
26
 Energy =      -0.206427385606
 C     -0.248252      1.955180      0.598307    0.00  -0.000114273  -0.000124640   0.000046092
 C     -1.441828      2.062587     -0.359838    0.00   0.000023709  -0.000176976  -0.000050134
 C     -1.522823      0.836557     -1.277754    0.00   0.000121770  -0.000063557  -0.000028667
 C     -1.685346     -0.451541     -0.454187    0.00   0.000155542   0.000085204   0.000022520
 C     -0.514591     -0.578585      0.539653    0.00  -0.000010334   0.000149699   0.000003003
 C     -0.287425      0.667626      1.425566    0.00  -0.000129569   0.000041649   0.000062741
 H     -2.368898      0.940048     -1.981698    0.00   0.000018639  -0.000010620  -0.000007085
 H     -2.381843      2.170053      0.214876    0.00   0.000008077  -0.000016041  -0.000008230
 H     -1.351416      2.982216     -0.968498    0.00  -0.000002231  -0.000024550  -0.000007396
 H      0.696894      1.986753      0.017588    0.00  -0.000012163  -0.000012353   0.000005700
 H     -0.224101      2.830578      1.274672    0.00  -0.000015887  -0.000015160   0.000006977
 H     -2.609900     -0.367844      0.179352    0.00   0.000017295   0.000002187  -0.000000745
 H     -1.103127      0.691961      2.176350    0.00  -0.000009515   0.000005508   0.000004363
 H      0.650462      0.553345      2.005154    0.00  -0.000018251   0.000007971   0.000009835
 H     -0.609275      0.768300     -1.901957    0.00   0.000004858  -0.000003966   0.000000564
 O     -0.791331     -1.703929      1.358384    0.00  -0.000226621   0.000371106  -0.000169290
 C     -1.840782     -1.682477     -1.344393    0.00   0.000266402   0.000203579   0.000053591
 H     -1.795988     -2.600231     -0.739894    0.00   0.000027875   0.000029292   0.000010668
 H     -2.808434     -1.676698     -1.858422    0.00   0.000032536   0.000012280  -0.000006742
 H     -1.060090     -1.737335     -2.110927    0.00   0.000013487   0.000013342   0.000009423
 H      0.037460     -2.211278      1.578902    0.00   0.000028461  -0.000000500   0.000007148
 O      0.842855     -0.728321      0.047085    0.00   0.000088890   0.000372696  -0.000152300
 O      0.966552     -1.563749     -1.091026    0.00  -0.000175955   0.000405600   0.000267257
 C      1.200634     -2.884071     -0.756985    0.00  -0.000122735  -0.000264347   0.000190535
 H      1.421512     -3.390997     -1.703568    0.00  -0.000017486  -0.000015014   0.000045548
 O      1.142199     -3.329351      0.360914    0.00   0.000047478  -0.000972388  -0.000315377
26
 Energy =      -0.206490860806
 C     -0.246252      1.953558      0.600463    0.00  -0.000111410  -0.000118349   0.000039785
 C     -1.439232      2.064243     -0.358079    0.00   0.000027905  -0.000171927  -0.000038260
 C     -1.522743      0.839250     -1.277172    0.00   0.000128559  -0.000057196  -0.000018460
 C     -1.687977     -0.449373     -0.454881    0.00   0.000152134   0.000083724   0.000021785
 C     -0.516422     -0.579559      0.537610    0.00  -0.000009877   0.000147271  -0.000000209
 C     -0.287607      0.664771      1.425743    0.00  -0.000128523   0.000039373   0.000052021
 H     -2.368498      0.945201     -1.981113    0.00   0.000019254  -0.000010076  -0.000005172
 H     -2.379218      2.173294      0.216380    0.00   0.000007690  -0.000016355  -0.000006571
 H     -1.346559      2.984199     -0.965918    0.00  -0.000001160  -0.000023528  -0.000005802
 H      0.699192      1.984586      0.020188    0.00  -0.000011754  -0.000010835   0.000004796
 H     -0.221110      2.827899      1.278154    0.00  -0.000015867  -0.000014891   0.000005914
 H     -2.611983     -0.364353      0.179147    0.00   0.000016231   0.000002113  -0.000000339
 H     -1.103614      0.689238      2.176163    0.00  -0.000009663   0.000004516   0.000003612
 H      0.649899      0.548301      2.005447    0.00  -0.000018173   0.000007874   0.000008109
 H     -0.609241      0.769630     -1.901325    0.00   0.000006241  -0.000002719   0.000000843
 O     -0.792438     -1.707433      1.352758    0.00  -0.000210097   0.000359847  -0.000161286
 C     -1.846117     -1.679123     -1.346223    0.00   0.000262012   0.000199354   0.000044180
 H     -1.804634     -2.597432     -0.742339    0.00   0.000027773   0.000029339   0.000009647
 H     -2.812975     -1.670041     -1.861621    0.00   0.000031890   0.000011712  -0.000008121
 H     -1.064301     -1.735929     -2.111538    0.00   0.000013313   0.000012474   0.000008751
 H      0.038162     -2.208077      1.581572    0.00   0.000026409   0.000000935   0.000007009
 O      0.840118     -0.727880      0.041937    0.00   0.000078956   0.000363524  -0.000146033
 O      0.961280     -1.568477     -1.092736    0.00  -0.000185638   0.000383493   0.000260943
 C      1.202986     -2.885819     -0.752222    0.00  -0.000124992  -0.000266166   0.000182184
 H      1.419801     -3.397662     -1.697060    0.00  -0.000017927  -0.000016477   0.000043332
 O      1.154055     -3.324195      0.368847    0.00   0.000046714  -0.000937031  -0.000302659
26
 Energy =      -0.206552300161
 C     -0.244221      1.951942      0.602522    0.00  -0.000108154  -0.000112325   0.000034376
 C     -1.436796      2.065928     -0.356160    0.00   0.000031476  -0.000166719  -0.000027185
 C     -1.522912      0.842049     -1.276511    0.00   0.000133919  -0.000051634  -0.000009508
 C     -1.690629     -0.447183     -0.455594    0.00   0.000148106   0.000081930   0.000020624
 C     -0.518245     -0.580526      0.535497    0.00  -0.000009485   0.000144214  -0.000003252
 C     -0.287646      0.661920      1.425810    0.00  -0.000127067   0.000037122   0.000042384
 H     -2.368483      0.950464     -1.980279    0.00   0.000019679  -0.000009595  -0.000003483
 H     -2.376642      2.176457      0.218240    0.00   0.000007263  -0.000016541  -0.000005036
 H     -1.342042      2.986263     -0.963118    0.00  -0.000000187  -0.000022526  -0.000004305
 H      0.701403      1.982404      0.022500    0.00  -0.000011281  -0.000009459   0.000004014
 H     -0.217926      2.825213      1.281541    0.00  -0.000015774  -0.000014565   0.000004998
 H     -2.614059     -0.360999      0.178990    0.00   0.000015155   0.000002067  -0.000000004
 H     -1.103839      0.686519      2.175997    0.00  -0.000009781   0.000003624   0.000002935
 H      0.649567      0.543248      2.005482    0.00  -0.000018010   0.000007758   0.000006551
 H     -0.609574      0.771186     -1.900797    0.00   0.000007468  -0.000001665   0.000001082
 O     -0.793612     -1.710834      1.347162    0.00  -0.000194914   0.000347962  -0.000153877
 C     -1.851402     -1.675660     -1.348192    0.00   0.000256509   0.000194345   0.000034479
 H     -1.813357     -2.594568     -0.745003    0.00   0.000027385   0.000029117   0.000008473
 H     -2.817381     -1.663192     -1.865089    0.00   0.000031086   0.000011132  -0.000009221
 H     -1.068369     -1.734390     -2.112186    0.00   0.000013207   0.000011720   0.000007924
 H      0.038562     -2.205054      1.584020    0.00   0.000024615   0.000002145   0.000006864
 O      0.837387     -0.727545      0.036777    0.00   0.000069568   0.000354159  -0.000140378
 O      0.956153     -1.573370     -1.094355    0.00  -0.000193497   0.000363361   0.000255216
 C      1.205525     -2.887636     -0.747357    0.00  -0.000126120  -0.000265994   0.000175513
 H      1.418537     -3.404406     -1.690340    0.00  -0.000018134  -0.000017605   0.000041506
 O      1.165848     -3.319047      0.376769    0.00   0.000046967  -0.000902030  -0.000290690
26
 Energy =      -0.206611732413
 C     -0.242170      1.950335      0.604492    0.00  -0.000104550  -0.000106534   0.000029770
 C     -1.434518      2.067637     -0.354089    0.00   0.000034500  -0.000161383  -0.000016902
 C     -1.523307      0.844945     -1.275776    0.00   0.000138006  -0.000046747  -0.000001680
 C     -1.693290     -0.444979     -0.456328    0.00   0.000143608   0.000079871   0.000019175
 C     -0.520053     -0.581485      0.533321    0.00  -0.000009148   0.000140695  -0.000006135
 C     -0.287549      0.659076      1.425774    0.00  -0.000125270   0.000034912   0.000033687
 H     -2.368822      0.955824     -1.979213    0.00   0.000019939  -0.000009164  -0.000001997
 H     -2.374122      2.179531      0.220439    0.00   0.000006810  -0.000016614  -0.000003628
 H     -1.337859      2.988403     -0.960106    0.00   0.000000692  -0.000021544  -0.000002904
 H      0.703526      1.980224      0.024546    0.00  -0.000010747  -0.000008215   0.000003339
 H     -0.214579      2.822524      1.284845    0.00  -0.000015615  -0.000014188   0.000004219
 H     -2.616122     -0.357791      0.178869    0.00   0.000014087   0.000002039   0.000000267
 H     -1.103819      0.683801      2.175850    0.00  -0.000009875   0.000002817   0.000002323
 H      0.649454      0.538191      2.005274    0.00  -0.000017778   0.000007627   0.000005131
 H     -0.610244      0.772962     -1.900361    0.00   0.000008546  -0.000000780   0.000001290
 O     -0.794841     -1.714136      1.341597    0.00  -0.000180933   0.000335622  -0.000147007
 C     -1.856614     -1.672098     -1.350301    0.00   0.000250180   0.000188748   0.000024883
 H     -1.822080     -2.591649     -0.747894    0.00   0.000026792   0.000028694   0.000007228
 H     -2.821649     -1.656190     -1.868792    0.00   0.000030172   0.000010556  -0.000010090
 H     -1.072297     -1.732699     -2.112901    0.00   0.000013132   0.000011052   0.000007009
 H      0.038694     -2.202191      1.586272    0.00   0.000023021   0.000003165   0.000006703
 O      0.834669     -0.727313      0.031603    0.00   0.000060740   0.000344640  -0.000135268
 O      0.951151     -1.578424     -1.095888    0.00  -0.000199808   0.000344713   0.000249808
 C      1.208207     -2.889520     -0.742397    0.00  -0.000126308  -0.000264272   0.000170038
 H      1.417640     -3.411236     -1.683425    0.00  -0.000018155  -0.000018473   0.000039964
 O      1.177569     -3.313898      0.384681    0.00   0.000047963  -0.000867237  -0.000279222
26
 Energy =      -0.206669176425
 C     -0.240105      1.948740      0.606384    0.00  -0.000100658  -0.000100954   0.000025863
 C     -1.432398      2.069367     -0.351869    0.00   0.000037035  -0.000155926  -0.000007405
 C     -1.523912      0.847932     -1.274967    0.00   0.000140951  -0.000042443   0.000005150
 C     -1.695948     -0.442766     -0.457083    0.00   0.000138783   0.000077608   0.000017543
 C     -0.521839     -0.582434      0.531085    0.00  -0.000008868   0.000136800  -0.000008862
 C     -0.287323      0.656242      1.425642    0.00  -0.000123193   0.000032757   0.000025817
 H     -2.369484      0.961273     -1.977931    0.00   0.000020052  -0.000008778  -0.000000694
 H     -2.371665      2.182505      0.222963    0.00   0.000006340  -0.000016586  -0.000002341
 H     -1.334007      2.990613     -0.956887    0.00   0.000001478  -0.000020584  -0.000001600
 H      0.705558      1.978059      0.026345    0.00  -0.000010165  -0.000007093   0.000002760
 H     -0.211091      2.819832      1.288076    0.00  -0.000015397  -0.000013766   0.000003560
 H     -2.618165     -0.354735      0.178778    0.00   0.000013040   0.000002017   0.000000483
 H     -1.103562      0.681079      2.175725    0.00  -0.000009950   0.000002087   0.000001767
 H      0.649552      0.533139      2.004837    0.00  -0.000017486   0.000007485   0.000003837
 H     -0.611222      0.774953     -1.900008    0.00   0.000009483  -0.000000043   0.000001472
 O     -0.796112     -1.717340      1.336067    0.00  -0.000168036   0.000322966  -0.000140621
 C     -1.861735     -1.668446     -1.352549    0.00   0.000243219   0.000182725   0.000015638
 H     -1.830747     -2.588681     -0.751015    0.00   0.000026050   0.000028113   0.000005971
 H     -2.825775     -1.649066     -1.872698    0.00   0.000029185   0.000009985  -0.000010763
 H     -1.076087     -1.730841     -2.113706    0.00   0.000013063   0.000010449   0.000006056
 H      0.038591     -2.199467      1.588350    0.00   0.000021594   0.000004028   0.000006526
 O      0.831968     -0.727179      0.026411    0.00   0.000052478   0.000334982  -0.000130617
 O      0.946259     -1.583633     -1.097341    0.00  -0.000204760   0.000327186   0.000244525
 C      1.211004     -2.891470     -0.737348    0.00  -0.000125694  -0.000261324   0.000165409
 H      1.417044     -3.418151     -1.676326    0.00  -0.000018029  -0.000019135   0.000038627
 O      1.189211     -3.308741      0.392583    0.00   0.000049485  -0.000832557  -0.000268102
26
 Energy =      -0.206724643805
 C     -0.238037      1.947162      0.608204    0.00  -0.000096540  -0.000095561   0.000022555
 C     -1.430434      2.071110     -0.349505    0.00   0.000039119  -0.000150372   0.000001319
 C     -1.524711      0.851004     -1.274090    0.00   0.000142869  -0.000038636   0.000011092
 C     -1.698597     -0.440547     -0.457861    0.00   0.000133714   0.000075182   0.000015803
 C     -0.523598     -0.583372      0.528794    0.00  -0.000008632   0.000132608  -0.000011423
 C     -0.286973      0.653415      1.425418    0.00  -0.000120868   0.000030666   0.000018688
 H     -2.370446      0.966800     -1.976445    0.00   0.000020034  -0.000008428   0.000000446
 H     -2.369275      2.185372      0.225794    0.00   0.000005859  -0.000016468  -0.000001173
 H     -1.330483      2.992891     -0.953466    0.00   0.000002177  -0.000019644  -0.000000391
 H      0.707496      1.975922      0.027915    0.00  -0.000009547  -0.000006079   0.000002263
 H     -0.207486      2.817140      1.291243    0.00  -0.000015127  -0.000013305   0.000003006
 H     -2.620183     -0.351832      0.178710    0.00   0.000012023   0.000001996   0.000000650
 H     -1.103078      0.678348      2.175622    0.00  -0.000010007   0.000001426   0.000001261
 H      0.649853      0.528096      2.004179    0.00  -0.000017143   0.000007335   0.000002654
 H     -0.612482      0.777155     -1.899726    0.00   0.000010290   0.000000568   0.000001633
 O     -0.797416     -1.720453      1.330570    0.00  -0.000156115   0.000310095  -0.000134658
 C     -1.866754     -1.664709     -1.354933    0.00   0.000235773   0.000176375   0.000006909
 H     -1.839316     -2.585672     -0.754363    0.00   0.000025202   0.000027410   0.000004738
 H     -2.829759     -1.641846     -1.876785    0.00   0.000028147   0.000009423  -0.000011267
 H     -1.079746     -1.728812     -2.114616    0.00   0.000012984   0.000009896   0.000005101
 H      0.038276     -2.196871      1.590270    0.00   0.000020305   0.000004758   0.000006334
 O      0.829288     -0.727139      0.021197    0.00   0.000044769   0.000325187  -0.000126341
 O      0.941464     -1.588993     -1.098719    0.00  -0.000208479   0.000310513   0.000239231
 C      1.213889     -2.893482     -0.732215    0.00  -0.000124396  -0.000257388   0.000161380
 H      1.416697     -3.425156     -1.669049    0.00  -0.000017778  -0.000019631   0.000037438
 O      1.200766     -3.303567      0.400477    0.00   0.000051367  -0.000797926  -0.000257247
26
 Energy =       -0.20677814062
 C     -0.235970      1.945602      0.609959    0.00  -0.000092254  -0.000090338   0.000019751
 C     -1.428622      2.072865     -0.347002    0.00   0.000040788  -0.000144736   0.000009278
 C     -1.525687      0.854155     -1.273146    0.00   0.000143856  -0.000035254   0.000016240
 C     -1.701229     -0.438327     -0.458663    0.00   0.000128467   0.000072623   0.000014013
 C     -0.525325     -0.584298      0.526450    0.00  -0.000008434   0.000128179  -0.000013810
 C     -0.286502      0.650600      1.425107    0.00  -0.000118321   0.000028644   0.000012237
 H     -2.371685      0.972394     -1.974770    0.00   0.000019902  -0.000008106   0.000001441
 H     -2.366957      2.188125      0.228919    0.00   0.000005374  -0.000016272  -0.000000122
 H     -1.327281      2.995230     -0.949850    0.00   0.000002789  -0.000018725   0.000000724
 H      0.709339      1.973827      0.029273    0.00  -0.000008902  -0.000005164   0.000001838
 H     -0.203783      2.814449      1.294357    0.00  -0.000014812  -0.000012812   0.000002542
 H     -2.622173     -0.349082      0.178661    0.00   0.000011038   0.000001976   0.000000775
 H     -1.102374      0.675602      2.175543    0.00  -0.000010044   0.000000829   0.000000799
 H      0.650350      0.523067      2.003308    0.00  -0.000016755   0.000007180   0.000001574
 H     -0.614002      0.779561     -1.899507    0.00   0.000010973   0.000001070   0.000001777
 O     -0.798743     -1.723474      1.325108    0.00  -0.000145072   0.000297093  -0.000129053
 C     -1.871662     -1.660895     -1.357449    0.00   0.000227938   0.000169773  -0.000001207
 H     -1.847756     -2.582627     -0.757934    0.00   0.000024280   0.000026613   0.000003551
 H     -2.833603     -1.634550     -1.881028    0.00   0.000027073   0.000008870  -0.000011626
 H     -1.083277     -1.726605     -2.115643    0.00   0.000012885   0.000009381   0.000004167
 H      0.037773     -2.194386      1.592047    0.00   0.000019131   0.000005373   0.000006128
 O      0.826633     -0.727189      0.015959    0.00   0.000037596   0.000315243  -0.000122355
 O      0.936758     -1.594498     -1.100024    0.00  -0.000211053   0.000294503   0.000233833
 C      1.216844     -2.895553     -0.727002    0.00  -0.000122497  -0.000252641   0.000157754
 H      1.416561     -3.432248     -1.661605    0.00  -0.000017421  -0.000019990   0.000036356
 O      1.212224     -3.298374      0.408363    0.00   0.000053473  -0.000763313  -0.000246604
26
 Energy =      -0.206829668494
 C     -0.233911      1.944063      0.611656    0.00  -0.000087853  -0.000085270   0.000017370
 C     -1.426962      2.074628     -0.344366    0.00   0.000042067  -0.000139039   0.000016489
 C     -1.526832      0.857380     -1.272137    0.00   0.000143995  -0.000032230   0.000020675
 C     -1.703839     -0.436108     -0.459487    0.00   0.000123087   0.000069955   0.000012216
 C     -0.527016     -0.585211      0.524056    0.00  -0.000008261   0.000123560  -0.000016009
 C     -0.285915      0.647795      1.424713    0.00  -0.000115564   0.000026696   0.000006411
 H     -2.373180      0.978050     -1.972916    0.00   0.000019667  -0.000007808   0.000002305
 H     -2.364715      2.190760      0.232324    0.00   0.000004888  -0.000016007   0.000000817
 H     -1.324394      2.997628     -0.946042    0.00   0.000003319  -0.000017828   0.000001747
 H      0.711087      1.971783      0.030433    0.00  -0.000008242  -0.000004338   0.000001477
 H     -0.199999      2.811760      1.297424    0.00  -0.000014458  -0.000012291   0.000002150
 H     -2.624133     -0.346485      0.178627    0.00   0.000010089   0.000001952   0.000000863
 H     -1.101457      0.672839      2.175487    0.00  -0.000010060   0.000000290   0.000000377
 H      0.651038      0.518055      2.002231    0.00  -0.000016325   0.000007022   0.000000591
 H     -0.615763      0.782166     -1.899342    0.00   0.000011540   0.000001478   0.000001905
 O     -0.800088     -1.726409      1.319678    0.00  -0.000134820   0.000284013  -0.000123746
 C     -1.876454     -1.657008     -1.360096    0.00   0.000219791   0.000162978  -0.000008661
 H     -1.856046     -2.579550     -0.761723    0.00   0.000023307   0.000025739   0.000002425
 H     -2.837309     -1.627193     -1.885410    0.00   0.000025972   0.000008328  -0.000011860
 H     -1.086684     -1.724221     -2.116790    0.00   0.000012761   0.000008896   0.000003273
 H      0.037101     -2.192004      1.593693    0.00   0.000018055   0.000005888   0.000005910
 O      0.824005     -0.727323      0.010695    0.00   0.000030945   0.000305146  -0.000118584
 O      0.932135     -1.600145     -1.101259    0.00  -0.000212554   0.000279017   0.000228270
 C      1.219851     -2.897682     -0.721711    0.00  -0.000120070  -0.000247222   0.000154397
 H      1.416601     -3.439430     -1.653996    0.00  -0.000016969  -0.000020234   0.000035349
 O      1.223579     -3.293156      0.416240    0.00   0.000055694  -0.000728691  -0.000236155
26
 Energy =      -0.206879225352
 C     -0.231866      1.942545      0.613300    0.00  -0.000083383  -0.000080347   0.000015338
 C     -1.425451      2.076398     -0.341599    0.00   0.000042977  -0.000133290   0.000022965
 C     -1.528129      0.860676     -1.271065    0.00   0.000143356  -0.000029517   0.000024472
 C     -1.706422     -0.433891     -0.460335    0.00   0.000117615   0.000067210   0.000010447
 C     -0.528670     -0.586112      0.521613    0.00  -0.000008111   0.000118775  -0.000018013
 C     -0.285215      0.644999      1.424239    0.00  -0.000112610   0.000024823   0.000001170
 H     -2.374915      0.983761     -1.970891    0.00   0.000019338  -0.000007530   0.000003051
 H     -2.362550      2.193274      0.235997    0.00   0.000004405  -0.000015681   0.000001647
 H     -1.321816      3.000084     -0.942048    0.00   0.000003768  -0.000016950   0.000002678
 H      0.712739      1.969799      0.031408    0.00  -0.000007576  -0.000003592   0.000001172
 H     -0.196152      2.809072      1.300450    0.00  -0.000014073  -0.000011748   0.000001820
 H     -2.626058     -0.344039      0.178605    0.00   0.000009179   0.000001925   0.000000917
 H     -1.100334      0.670054      2.175457    0.00  -0.000010051  -0.000000192  -0.000000011
 H      0.651912      0.513064      2.000952    0.00  -0.000015856   0.000006861  -0.000000299
 H     -0.617748      0.784965     -1.899225    0.00   0.000011999   0.000001804   0.000002021
 O     -0.801444     -1.729261      1.314281    0.00  -0.000125274   0.000270891  -0.000118677
 C     -1.881124     -1.653056     -1.362865    0.00   0.000211384   0.000156030  -0.000015426
 H     -1.864164     -2.576445     -0.765725    0.00   0.000022299   0.000024806   0.000001368
 H     -2.840879     -1.619788     -1.889916    0.00   0.000024853   0.000007794  -0.000011984
 H     -1.089972     -1.721661     -2.118067    0.00   0.000012605   0.000008433   0.000002428
 H      0.036281     -2.189714      1.595218    0.00   0.000017062   0.000006320   0.000005684
 O      0.821407     -0.727541      0.005401    0.00   0.000024795   0.000294894  -0.000114966
 O      0.927589     -1.605929     -1.102428    0.00  -0.000213031   0.000263941   0.000222500
 C      1.222895     -2.899866     -0.716346    0.00  -0.000117169  -0.000241217   0.000151189
 H      1.416791     -3.446699     -1.646230    0.00  -0.000016436  -0.000020381   0.000034392
 O      1.234826     -3.287911      0.424108    0.00   0.000057933  -0.000694062  -0.000225884
26
 Energy =      -0.206926805986
 C     -0.229837      1.941052      0.614896    0.00  -0.000078880  -0.000075559   0.000013597
 C     -1.424086      2.078169     -0.338706    0.00   0.000043538  -0.000127504   0.000028717
 C     -1.529572      0.864037     -1.269933    0.00   0.000141999  -0.000027067   0.000027690
 C     -1.708977     -0.431680     -0.461205    0.00   0.000112073   0.000064391   0.000008727
 C     -0.530283     -0.587001      0.519123    0.00  -0.000007966   0.000113861  -0.000019808
 C     -0.284404      0.642213      1.423687    0.00  -0.000109462   0.000023028  -0.000003520
 H     -2.376874      0.989520     -1.968706    0.00   0.000018927  -0.000007268   0.000003691
 H     -2.360465      2.195662      0.239927    0.00   0.000003929  -0.000015301   0.000002371
 H     -1.319541      3.002591     -0.937872    0.00   0.000004139  -0.000016091   0.000003518
 H      0.714293      1.967881      0.032210    0.00  -0.000006912  -0.000002919   0.000000918
 H     -0.192252      2.806387      1.303442    0.00  -0.000013659  -0.000011186   0.000001540
 H     -2.627947     -0.341741      0.178592    0.00   0.000008305   0.000001894   0.000000943
 H     -1.099008      0.667242      2.175449    0.00  -0.000010017  -0.000000621  -0.000000367
 H      0.652968      0.508096      1.999480    0.00  -0.000015351   0.000006700  -0.000001100
 H     -0.619941      0.787951     -1.899148    0.00   0.000012355   0.000002061   0.000002127
 O     -0.802804     -1.732033      1.308913    0.00  -0.000116363   0.000257760  -0.000113796
 C     -1.885671     -1.649041     -1.365755    0.00   0.000202759   0.000148963  -0.000021495
 H     -1.872101     -2.573316     -0.769933    0.00   0.000021269   0.000023825   0.000000385
 H     -2.844317     -1.612345     -1.894531    0.00   0.000023720   0.000007269  -0.000012011
 H     -1.093143     -1.718925     -2.119474    0.00   0.000012416   0.000007985   0.000001640
 H      0.035325     -2.187506      1.596632    0.00   0.000016141   0.000006675   0.000005450
 O      0.818841     -0.727835      0.000076    0.00   0.000019124   0.000284469  -0.000111434
 O      0.923115     -1.611843     -1.103530    0.00  -0.000212530   0.000249211   0.000216496
 C      1.225966     -2.902100     -0.710910    0.00  -0.000113839  -0.000234720   0.000148048
 H      1.417107     -3.454052     -1.638309    0.00  -0.000015825  -0.000020441   0.000033468
 O      1.245957     -3.282636      0.431967    0.00   0.000060109  -0.000659417  -0.000215795
26
 Energy =       -0.20697240252
 C     -0.227829      1.939583      0.616445    0.00  -0.000074377  -0.000070896   0.000012089
 C     -1.422864      2.079942     -0.335690    0.00   0.000043769  -0.000121689   0.000033765
 C     -1.531152      0.867460     -1.268741    0.00   0.000139980  -0.000024844   0.000030375
 C     -1.711500     -0.429476     -0.462097    0.00   0.000106482   0.000061518   0.000007077
 C     -0.531852     -0.587876      0.516589    0.00  -0.000007823   0.000108834  -0.000021389
 C     -0.283487      0.639437      1.423062    0.00  -0.000106123   0.000021309  -0.000007686
 H     -2.379042      0.995321     -1.966367    0.00   0.000018440  -0.000007018   0.000004236
 H     -2.358461      2.197922      0.244102    0.00   0.000003458  -0.000014875   0.000002990
 H     -1.317563      3.005148     -0.933520    0.00   0.000004435  -0.000015252   0.000004271
 H      0.715751      1.966038      0.032849    0.00  -0.000006255  -0.000002311   0.000000708
 H     -0.188310      2.803705      1.306403    0.00  -0.000013221  -0.000010608   0.000001300
 H     -2.629798     -0.339594      0.178586    0.00   0.000007470   0.000001859   0.000000943
 H     -1.097488      0.664402      2.175467    0.00  -0.000009955  -0.000000998  -0.000000694
 H      0.654201      0.503152      1.997818    0.00  -0.000014813   0.000006538  -0.000001816
 H     -0.622329      0.791120     -1.899108    0.00   0.000012615   0.000002258   0.000002224
 O     -0.804164     -1.734729      1.303577    0.00  -0.000108021   0.000244638  -0.000109048
 C     -1.890092     -1.644969     -1.368760    0.00   0.000193947   0.000141802  -0.000026873
 H     -1.879843     -2.570168     -0.774340    0.00   0.000020226   0.000022804  -0.000000519
 H     -2.847624     -1.604877     -1.899245    0.00   0.000022576   0.000006753  -0.000011953
 H     -1.096198     -1.716017     -2.121011    0.00   0.000012193   0.000007550   0.000000913
 H      0.034250     -2.185375      1.597944    0.00   0.000015281   0.000006964   0.000005208
 O      0.816308     -0.728203     -0.005281    0.00   0.000013916   0.000273870  -0.000107938
 O      0.918711     -1.617884     -1.104570    0.00  -0.000211087   0.000234765   0.000210242
 C      1.229052     -2.904383     -0.705404    0.00  -0.000110123  -0.000227786   0.000144902
 H      1.417529     -3.461490     -1.630237    0.00  -0.000015145  -0.000020426   0.000032563
 O      1.256967     -3.277328      0.439815    0.00   0.000062156  -0.000624762  -0.000205890
26
 Energy =      -0.207016004731
 C     -0.225844      1.938139      0.617954    0.00  -0.000069896  -0.000066353   0.000010775
 C     -1.421781      2.081713     -0.332556    0.00   0.000043683  -0.000115851   0.000038121
 C     -1.532860      0.870940     -1.267491    0.00   0.000137343  -0.000022815   0.000032575
 C     -1.713987     -0.427281     -0.463010    0.00   0.000100863   0.000058606   0.000005510
 C     -0.533377     -0.588738      0.514010    0.00  -0.000007674   0.000103710  -0.000022745
 C     -0.282466      0.636672      1.422362    0.00  -0.000102596   0.000019668  -0.000011353
 H     -2.381408      1.001159     -1.963880    0.00   0.000017883  -0.000006781   0.000004692
 H     -2.356538      2.200053      0.248513    0.00   0.000002998  -0.000014407   0.000003510
 H     -1.315875      3.007751     -0.928995    0.00   0.000004657  -0.000014430   0.000004938
 H      0.717114      1.964270      0.033332    0.00  -0.000005613  -0.000001763   0.000000539
 H     -0.184336      2.801027      1.309335    0.00  -0.000012764  -0.000010017   0.000001091
 H     -2.631611     -0.337592      0.178587    0.00   0.000006672   0.000001821   0.000000919
 H     -1.095776      0.661532      2.175508    0.00  -0.000009862  -0.000001326  -0.000000995
 H      0.655605      0.498235      1.995971    0.00  -0.000014241   0.000006375  -0.000002447
 H     -0.624901      0.794466     -1.899097    0.00   0.000012782   0.000002402   0.000002314
 O     -0.805518     -1.737351      1.298269    0.00  -0.000100188   0.000231540  -0.000104399
 C     -1.894385     -1.640845     -1.371877    0.00   0.000184975   0.000134567  -0.000031570
 H     -1.887383     -2.567001     -0.778942    0.00   0.000019177   0.000021751  -0.000001346
 H     -2.850803     -1.597389     -1.904046    0.00   0.000021423   0.000006245  -0.000011819
 H     -1.099142     -1.712939     -2.122680    0.00   0.000011935   0.000007123   0.000000251
 H      0.033069     -2.183312      1.599161    0.00   0.000014476   0.000007195   0.000004964
 O      0.813810     -0.728643     -0.010674    0.00   0.000009150   0.000263086  -0.000104432
 O      0.914374     -1.624047     -1.105547    0.00  -0.000208740   0.000220561   0.000203726
 C      1.232145     -2.906713     -0.699830    0.00  -0.000106058  -0.000220465   0.000141699
 H      1.418040     -3.469006     -1.622017    0.00  -0.000014402  -0.000020342   0.000031664
 O      1.267851     -3.271987      0.447653    0.00   0.000064014  -0.000590100  -0.000196181
26
 Energy =      -0.207057600359
 C     -0.223882      1.936722      0.619424    0.00  -0.000065456  -0.000061922   0.000009622
 C     -1.420837      2.083481     -0.329306    0.00   0.000043297  -0.000109998   0.000041801
 C     -1.534691      0.874474     -1.266185    0.00   0.000134130  -0.000020954   0.000034322
 C     -1.716437     -0.425096     -0.463945    0.00   0.000095227   0.000055656   0.000004035
 C     -0.534855     -0.589588      0.511390    0.00  -0.000007512   0.000098506  -0.000023877
 C     -0.281343      0.633916      1.421594    0.00  -0.000098881   0.000018101  -0.000014543
 H     -2.383963      1.007030     -1.961251    0.00   0.000017263  -0.000006552   0.000005067
 H     -2.354696      2.202054      0.253153    0.00   0.000002548  -0.000013900   0.000003933
 H     -1.314472      3.010399     -0.924301    0.00   0.000004810  -0.000013626   0.000005519
 H      0.718380      1.962584      0.033670    0.00  -0.000004988  -0.000001270   0.000000407
 H     -0.180338      2.798352      1.312244    0.00  -0.000012289  -0.000009415   0.000000908
 H     -2.633384     -0.335735      0.178592    0.00   0.000005913   0.000001779   0.000000876
 H     -1.093879      0.658630      2.175571    0.00  -0.000009739  -0.000001607  -0.000001270
 H      0.657178      0.493347      1.993942    0.00  -0.000013638   0.000006213  -0.000002997
 H     -0.627646      0.797985     -1.899113    0.00   0.000012863   0.000002500   0.000002397
 O     -0.806864     -1.739902      1.292990    0.00  -0.000092811   0.000218475  -0.000099805
 C     -1.898551     -1.636670     -1.375101    0.00   0.000175863   0.000127278  -0.000035600
 H     -1.894713     -2.563820     -0.783731    0.00   0.000018128   0.000020673  -0.000002094
 H     -2.853854     -1.589891     -1.908928    0.00   0.000020267   0.000005744  -0.000011617
 H     -1.101973     -1.709692     -2.124481    0.00   0.000011642   0.000006702  -0.000000346
 H      0.031790     -2.181310      1.600288    0.00   0.000013717   0.000007374   0.000004715
 O      0.811348     -0.729152     -0.016101    0.00   0.000004811   0.000252114  -0.000100879
 O      0.910099     -1.630327     -1.106464    0.00  -0.000205515   0.000206568   0.000196942
 C      1.235236     -2.909086     -0.694190    0.00  -0.000101677  -0.000212800   0.000138393
 H      1.418625     -3.476599     -1.613651    0.00  -0.000013598  -0.000020198   0.000030763
 O      1.278602     -3.266610      0.455478    0.00   0.000065628  -0.000555443  -0.000186670
26
 Energy =      -0.207097175382
 C     -0.221948      1.935331      0.620856    0.00  -0.000061071  -0.000057599   0.000008598
 C     -1.420026      2.085243     -0.325943    0.00   0.000042627  -0.000104131   0.000044820
 C     -1.536637      0.878059     -1.264822    0.00   0.000130374  -0.000019242   0.000035647
 C     -1.718850     -0.422922     -0.464902    0.00   0.000089589   0.000052690   0.000002659
 C     -0.536286     -0.590424      0.508729    0.00  -0.000007333   0.000093228  -0.000024778
 C     -0.280121      0.631169      1.420757    0.00  -0.000094979   0.000016609  -0.000017275
 H     -2.386696      1.012927     -1.958483    0.00   0.000016584  -0.000006332   0.000005367
 H     -2.352935      2.203922      0.258012    0.00   0.000002109  -0.000013360   0.000004261
 H     -1.313345      3.013088     -0.919442    0.00   0.000004894  -0.000012836   0.000006016
 H      0.719552      1.960982      0.033866    0.00  -0.000004384  -0.000000829   0.000000309
 H     -0.176321      2.795679      1.315129    0.00  -0.000011799  -0.000008803   0.000000746
 H     -2.635116     -0.334022      0.178598    0.00   0.000005190   0.000001734   0.000000813
 H     -1.091797      0.655693      2.175657    0.00  -0.000009583  -0.000001843  -0.000001522
 H      0.658915      0.488490      1.991737    0.00  -0.000013005   0.000006051  -0.000003469
 H     -0.630556      0.801670     -1.899153    0.00   0.000012860   0.000002559   0.000002476
 O     -0.808196     -1.742384      1.287738    0.00  -0.000085844   0.000205453  -0.000095235
 C     -1.902584     -1.632450     -1.378430    0.00   0.000166632   0.000119943  -0.000038977
 H     -1.901828     -2.560628     -0.788703    0.00   0.000017084   0.000019574  -0.000002764
 H     -2.856780     -1.582386     -1.913881    0.00   0.000019104   0.000005251  -0.000011355
 H     -1.104694     -1.706281     -2.126411    0.00   0.000011312   0.000006286  -0.000000874
 H      0.030426     -2.179367      1.601335    0.00   0.000013000   0.000007505   0.000004464
 O      0.808923     -0.729724     -0.021566    0.00   0.000000881   0.000240949  -0.000097242
 O      0.905886     -1.636719     -1.107320    0.00  -0.000201445   0.000192759   0.000189884
 C      1.238319     -2.911498     -0.688485    0.00  -0.000097010  -0.000204820   0.000134950
 H      1.419270     -3.484266     -1.605143    0.00  -0.000012741  -0.000019997   0.000029851
 O      1.289220     -3.261196      0.463290    0.00   0.000066953  -0.000520799  -0.000177370
26
 Energy =      -0.207134714243
 C     -0.220041      1.933966      0.622254    0.00  -0.000056749  -0.000053377   0.000007681
 C     -1.419348      2.086998     -0.322470    0.00   0.000041688  -0.000098254   0.000047195
 C     -1.538695      0.881693     -1.263404    0.00   0.000126110  -0.000017656   0.000036572
 C     -1.721223     -0.420762     -0.465877    0.00   0.000083957   0.000049698   0.000001389
 C     -0.537668     -0.591247      0.506029    0.00  -0.000007126   0.000087893  -0.000025443
 C     -0.278801      0.628433      1.419852    0.00  -0.000090893   0.000015187  -0.000019564
 H     -2.389600      1.018848     -1.955583    0.00   0.000015850  -0.000006117   0.000005594
 H     -2.351254      2.205657      0.263083    0.00   0.000001684  -0.000012788   0.000004497
 H     -1.312491      3.015814     -0.914421    0.00   0.000004913  -0.000012064   0.000006432
 H      0.720629      1.959465      0.033929    0.00  -0.000003802  -0.000000434   0.000000244
 H     -0.172290      2.793013      1.317994    0.00  -0.000011297  -0.000008183   0.000000600
 H     -2.636805     -0.332454      0.178606    0.00   0.000004505   0.000001687   0.000000732
 H     -1.089538      0.652722      2.175764    0.00  -0.000009393  -0.000002035  -0.000001753
 H      0.660813      0.483664      1.989359    0.00  -0.000012343   0.000005889  -0.000003863
 H     -0.633623      0.805519     -1.899211    0.00   0.000012777   0.000002580   0.000002550
 O     -0.809513     -1.744801      1.282512    0.00  -0.000079247   0.000192480  -0.000090666
 C     -1.906487     -1.628185     -1.381858    0.00   0.000157295   0.000112583  -0.000041716
 H     -1.908722     -2.557425     -0.793852    0.00   0.000016049   0.000018457  -0.000003355
 H     -2.859583     -1.574880     -1.918899    0.00   0.000017940   0.000004764  -0.000011035
 H     -1.107304     -1.702709     -2.128471    0.00   0.000010949   0.000005872  -0.000001334
 H      0.028983     -2.177473      1.602304    0.00   0.000012319   0.000007596   0.000004213
 O      0.806534     -0.730361     -0.027067    0.00  -0.000002657   0.000229585  -0.000093496
 O      0.901733     -1.643220     -1.108118    0.00  -0.000196559   0.000179116   0.000182548
 C      1.241386     -2.913949     -0.682719    0.00  -0.000092088  -0.000196557   0.000131339
 H      1.419965     -3.492003     -1.596496    0.00  -0.000011832  -0.000019744   0.000028922
 O      1.299699     -3.255745      0.471089    0.00   0.000067950  -0.000486179  -0.000168282
26
 Energy =      -0.207170200081
 C     -0.218164      1.932628      0.623617    0.00  -0.000052494  -0.000049254   0.000006856
 C     -1.418799      2.088745     -0.318889    0.00   0.000040488  -0.000092369   0.000048937
 C     -1.540859      0.885370     -1.261933    0.00   0.000121364  -0.000016181   0.000037118
 C     -1.723554     -0.418616     -0.466873    0.00   0.000078343   0.000046697   0.000000226
 C     -0.539000     -0.592056      0.503291    0.00  -0.000006895   0.000082503  -0.000025878
 C     -0.277387      0.625708      1.418883    0.00  -0.000086623   0.000013836  -0.000021426
 H     -2.392669      1.024788     -1.952551    0.00   0.000015066  -0.000005908   0.000005756
 H     -2.349653      2.207260      0.268360    0.00   0.000001273  -0.000012187   0.000004643
 H     -1.311904      3.018576     -0.909241    0.00   0.000004869  -0.000011304   0.000006768
 H      0.721613      1.958037      0.033862    0.00  -0.000003245  -0.000000085   0.000000206
 H     -0.168252      2.790350      1.320836    0.00  -0.000010782  -0.000007557   0.000000467
 H     -2.638454     -0.331027      0.178614    0.00   0.000003856   0.000001636   0.000000637
 H     -1.087103      0.649716      2.175892    0.00  -0.000009170  -0.000002184  -0.000001962
 H      0.662867      0.478871      1.986812    0.00  -0.000011653   0.000005727  -0.000004182
 H     -0.636843      0.809527     -1.899285    0.00   0.000012618   0.000002570   0.000002619
 O     -0.810811     -1.747152      1.277314    0.00  -0.000072980   0.000179563  -0.000086070
 C     -1.910256     -1.623881     -1.385385    0.00   0.000147871   0.000105206  -0.000043827
 H     -1.915391     -2.554215     -0.799174    0.00   0.000015023   0.000017329  -0.000003870
 H     -2.862262     -1.567381     -1.923977    0.00   0.000016773   0.000004285  -0.000010666
 H     -1.109803     -1.698976     -2.130658    0.00   0.000010551   0.000005458  -0.000001727
 H      0.027473     -2.175627      1.603202    0.00   0.000011670   0.000007649   0.000003961
 O      0.804184     -0.731059     -0.032607    0.00  -0.000005813   0.000218015  -0.000089615
 O      0.897637     -1.649823     -1.108857    0.00  -0.000190885   0.000165634   0.000174935
 C      1.244433     -2.916437     -0.676892    0.00  -0.000086934  -0.000188040   0.000127535
 H      1.420697     -3.499808     -1.587711    0.00  -0.000010874  -0.000019442   0.000027972
 O      1.310035     -3.250256      0.478872    0.00   0.000068581  -0.000451594  -0.000159414
26
 Energy =      -0.207203614933
 C     -0.216317      1.931317      0.624947    0.00  -0.000048315  -0.000045225   0.000006106
 C     -1.418377      2.090480     -0.315204    0.00   0.000039049  -0.000086475   0.000050064
 C     -1.543127      0.889090     -1.260406    0.00   0.000116163  -0.000014804   0.000037302
 C     -1.725844     -0.416486     -0.467888    0.00   0.000072754   0.000043691  -0.000000827
 C     -0.540282     -0.592853      0.500517    0.00  -0.000006632   0.000077068  -0.000026077
 C     -0.275878      0.622993      1.417848    0.00  -0.000082169   0.000012551  -0.000022873
 H     -2.395895      1.030743     -1.949391    0.00   0.000014232  -0.000005705   0.000005852
 H     -2.348130      2.208727      0.273836    0.00   0.000000877  -0.000011559   0.000004701
 H     -1.311579      3.021372     -0.903905    0.00   0.000004763  -0.000010559   0.000007024
 H      0.722505      1.956697      0.033671    0.00  -0.000002714   0.000000223   0.000000198
 H     -0.164208      2.787692      1.323659    0.00  -0.000010256  -0.000006924   0.000000344
 H     -2.640060     -0.329744      0.178619    0.00   0.000003245   0.000001582   0.000000525
 H     -1.084496      0.646673      2.176039    0.00  -0.000008912  -0.000002294  -0.000002151
 H      0.665076      0.474114      1.984097    0.00  -0.000010936   0.000005565  -0.000004428
 H     -0.640207      0.813690     -1.899373    0.00   0.000012386   0.000002531   0.000002686
 O     -0.812088     -1.749441      1.272140    0.00  -0.000067014   0.000166705  -0.000081429
 C     -1.913891     -1.619538     -1.389006    0.00   0.000138373   0.000097821  -0.000045327
 H     -1.921829     -2.551000     -0.804664    0.00   0.000014014   0.000016190  -0.000004306
 H     -2.864818     -1.559890     -1.929111    0.00   0.000015607   0.000003812  -0.000010249
 H     -1.112190     -1.695086     -2.132971    0.00   0.000010118   0.000005046  -0.000002049
 H      0.025901     -2.173822      1.604034    0.00   0.000011050   0.000007667   0.000003710
 O      0.801873     -0.731814     -0.038186    0.00  -0.000008602   0.000206241  -0.000085583
 O      0.893596     -1.656525     -1.109540    0.00  -0.000184451   0.000152288   0.000167042
 C      1.247453     -2.918956     -0.671007    0.00  -0.000081575  -0.000179280   0.000123518
 H      1.421458     -3.507676     -1.578791    0.00  -0.000009874  -0.000019096   0.000026994
 O      1.320224     -3.244730      0.486637    0.00   0.000068818  -0.000417064  -0.000150767
26
 Energy =      -0.207234939748
 C     -0.214500      1.930033      0.626247    0.00  -0.000044209  -0.000041287   0.000005422
 C     -1.418080      2.092204     -0.311415    0.00   0.000037380  -0.000080574   0.000050587
 C     -1.545493      0.892848     -1.258827    0.00   0.000110528  -0.000013511   0.000037136
 C     -1.728089     -0.414373     -0.468921    0.00   0.000067201   0.000040680  -0.000001768
 C     -0.541512     -0.593636      0.497707    0.00  -0.000006334   0.000071595  -0.000026045
 C     -0.274278      0.620289      1.416751    0.00  -0.000077536   0.000011330  -0.000023918
 H     -2.399274      1.036710     -1.946105    0.00   0.000013354  -0.000005504   0.000005888
 H     -2.346686      2.210058      0.279507    0.00   0.000000496  -0.000010906   0.000004675
 H     -1.311513      3.024198     -0.898413    0.00   0.000004598  -0.000009826   0.000007204
 H      0.723302      1.955449      0.033360    0.00  -0.000002209   0.000000491   0.000000216
 H     -0.160164      2.785040      1.326461    0.00  -0.000009721  -0.000006286   0.000000229
 H     -2.641623     -0.328602      0.178622    0.00   0.000002670   0.000001524   0.000000400
 H     -1.081718      0.643594      2.176206    0.00  -0.000008620  -0.000002363  -0.000002321
 H      0.667437      0.469393      1.981216    0.00  -0.000010193   0.000005403  -0.000004600
 H     -0.643712      0.818004     -1.899472    0.00   0.000012084   0.000002465   0.000002748
 O     -0.813341     -1.751669      1.266994    0.00  -0.000061321   0.000153914  -0.000076727
 C     -1.917391     -1.615162     -1.392720    0.00   0.000128814   0.000090445  -0.000046221
 H     -1.928036     -2.547782     -0.810319    0.00   0.000013021   0.000015044  -0.000004668
 H     -2.867252     -1.552413     -1.934297    0.00   0.000014443   0.000003347  -0.000009790
 H     -1.114464     -1.691040     -2.135408    0.00   0.000009654   0.000004634  -0.000002304
 H      0.024275     -2.172053      1.604804    0.00   0.000010454   0.000007656   0.000003459
 O      0.799601     -0.732627     -0.043803    0.00  -0.000011036   0.000194258  -0.000081380
 O      0.889610     -1.663323     -1.110165    0.00  -0.000177281   0.000139085   0.000158868
 C      1.250441     -2.921508     -0.665062    0.00  -0.000076034  -0.000170306   0.000119268
 H      1.422237     -3.515604     -1.569736    0.00  -0.000008832  -0.000018706   0.000025986
 O      1.330265     -3.239167      0.494386    0.00   0.000068631  -0.000382601  -0.000142343
26
 Energy =      -0.207264155161
 C     -0.212714      1.928777      0.627515    0.00  -0.000040183  -0.000037437   0.000004795
 C     -1.417907      2.093915     -0.307524    0.00   0.000035492  -0.000074667   0.000050516
 C     -1.547956      0.896644     -1.257194    0.00   0.000104483  -0.000012295   0.000036632
 C     -1.730290     -0.412277     -0.469974    0.00   0.000061691   0.000037671  -0.000002597
 C     -0.542690     -0.594405      0.494862    0.00  -0.000005999   0.000066089  -0.000025777
 C     -0.272586      0.617597      1.415592    0.00  -0.000072725   0.000010173  -0.000024569
 H     -2.402803      1.042685     -1.942695    0.00   0.000012432  -0.000005308   0.000005864
 H     -2.345318      2.211253      0.285369    0.00   0.000000132  -0.000010229   0.000004566
 H     -1.311701      3.027053     -0.892770    0.00   0.000004377  -0.000009106   0.000007309
 H      0.724007      1.954293      0.032931    0.00  -0.000001731   0.000000721   0.000000259
 H     -0.156121      2.782394      1.329245    0.00  -0.000009177  -0.000005644   0.000000122
 H     -2.643141     -0.327603      0.178618    0.00   0.000002132   0.000001465   0.000000260
 H     -1.078774      0.640479      2.176389    0.00  -0.000008293  -0.000002396  -0.000002473
 H      0.669947      0.464711      1.978174    0.00  -0.000009424   0.000005242  -0.000004705
 H     -0.647355      0.822468     -1.899580    0.00   0.000011712   0.000002376   0.000002808
 O     -0.814568     -1.753836      1.261872    0.00  -0.000055877   0.000141197  -0.000071952
 C     -1.920753     -1.610752     -1.396524    0.00   0.000119207   0.000083082  -0.000046522
 H     -1.934005     -2.544563     -0.816135    0.00   0.000012047   0.000013893  -0.000004955
 H     -2.869563     -1.544954     -1.939531    0.00   0.000013279   0.000002888  -0.000009289
 H     -1.116623     -1.686839     -2.137967    0.00   0.000009156   0.000004224  -0.000002490
 H      0.022600     -2.170319      1.605516    0.00   0.000009881   0.000007616   0.000003211
 O      0.797369     -0.733494     -0.049460    0.00  -0.000013124   0.000182066  -0.000076995
 O      0.885678     -1.670212     -1.110733    0.00  -0.000169402   0.000126009   0.000150411
 C      1.253392     -2.924089     -0.659063    0.00  -0.000070335  -0.000161129   0.000114775
 H      1.423027     -3.523590     -1.560552    0.00  -0.000007752  -0.000018276   0.000024944
 O      1.340151     -3.233567      0.502116    0.00   0.000068000  -0.000348226  -0.000134148
26
 Energy =      -0.207291241071
 C     -0.210960      1.927550      0.628753    0.00  -0.000036236  -0.000033674   0.000004217
 C     -1.417856      2.095611     -0.303533    0.00   0.000033401  -0.000068753   0.000049869
 C     -1.550512      0.900474     -1.255508    0.00   0.000098044  -0.000011148   0.000035797
 C     -1.732446     -0.410200     -0.471044    0.00   0.000056230   0.000034668  -0.000003312
 C     -0.543815     -0.595160      0.491985    0.00  -0.000005622   0.000060560  -0.000025280
 C     -0.270804      0.614917      1.414370    0.00  -0.000067738   0.000009079  -0.000024838
 H     -2.406477      1.048665     -1.939161    0.00   0.000011470  -0.000005114   0.000005781
 H     -2.344028      2.212310      0.291415    0.00  -0.000000216  -0.000009529   0.000004374
 H     -1.312142      3.029934     -0.886975    0.00   0.000004100  -0.000008397   0.000007338
 H      0.724620      1.953232      0.032387    0.00  -0.000001281   0.000000915   0.000000328
 H     -0.152082      2.779756      1.332007    0.00  -0.000008624  -0.000004999   0.000000021
 H     -2.644617     -0.326747      0.178610    0.00   0.000001631   0.000001400   0.000000107
 H     -1.075663      0.637329      2.176592    0.00  -0.000007932  -0.000002391  -0.000002607
 H      0.672605      0.460069      1.974969    0.00  -0.000008632   0.000005081  -0.000004739
 H     -0.651131      0.827077     -1.899695    0.00   0.000011275   0.000002264   0.000002865
 O     -0.815766     -1.755946      1.256777    0.00  -0.000050662   0.000128555  -0.000067091
 C     -1.923975     -1.606310     -1.400417    0.00   0.000109568   0.000075747  -0.000046236
 H     -1.939732     -2.541343     -0.822109    0.00   0.000011094   0.000012741  -0.000005166
 H     -2.871749     -1.537516     -1.944812    0.00   0.000012121   0.000002436  -0.000008750
 H     -1.118663     -1.682486     -2.140647    0.00   0.000008626   0.000003815  -0.000002607
 H      0.020884     -2.168613      1.606176    0.00   0.000009328   0.000007551   0.000002970
 O      0.795178     -0.734416     -0.055156    0.00  -0.000014874   0.000169661  -0.000072417
 O      0.881796     -1.677187     -1.111246    0.00  -0.000160840   0.000113067   0.000141669
 C      1.256303     -2.926699     -0.653008    0.00  -0.000064498  -0.000151769   0.000110019
 H      1.423820     -3.531632     -1.551237    0.00  -0.000006636  -0.000017808   0.000023866
 O      1.349882     -3.227933      0.509826    0.00   0.000066905  -0.000313957  -0.000126181
26
 Energy =      -0.207316177032
 C     -0.209241      1.926351      0.629961    0.00  -0.000032368  -0.000029996   0.000003687
 C     -1.417926      2.097290     -0.299442    0.00   0.000031116  -0.000062832   0.000048648
 C     -1.553162      0.904337     -1.253769    0.00   0.000091229  -0.000010060   0.000034638
 C     -1.734555     -0.408144     -0.472134    0.00   0.000050828   0.000031675  -0.000003914
 C     -0.544885     -0.595900      0.489074    0.00  -0.000005208   0.000055011  -0.000024551
 C     -0.268934      0.612250      1.413087    0.00  -0.000062579   0.000008042  -0.000024729
 H     -2.410295      1.054647     -1.935505    0.00   0.000010468  -0.000004922   0.000005643
 H     -2.342814      2.213226      0.297647    0.00  -0.000000546  -0.000008809   0.000004101
 H     -1.312834      3.032840     -0.881029    0.00   0.000003768  -0.000007701   0.000007295
 H      0.725139      1.952267      0.031730    0.00  -0.000000858   0.000001074   0.000000420
 H     -0.148051      2.777126      1.334749    0.00  -0.000008064  -0.000004350  -0.000000075
 H     -2.646047     -0.326036      0.178594    0.00   0.000001167   0.000001332  -0.000000058
 H     -1.072384      0.634142      2.176810    0.00  -0.000007537  -0.000002350  -0.000002724
 H      0.675410      0.455471      1.971604    0.00  -0.000007815   0.000004920  -0.000004705
 H     -0.655039      0.831831     -1.899814    0.00   0.000010775   0.000002130   0.000002919
 O     -0.816934     -1.757995      1.251708    0.00  -0.000045657   0.000116005  -0.000062134
 C     -1.927054     -1.601840     -1.404396    0.00   0.000099908   0.000068447  -0.000045368
 H     -1.945213     -2.538126     -0.828240    0.00   0.000010164   0.000011587  -0.000005304
 H     -2.873809     -1.530102     -1.950136    0.00   0.000010967   0.000001991  -0.000008173
 H     -1.120583     -1.677981     -2.143446    0.00   0.000008066   0.000003408  -0.000002654
 H      0.019131     -2.166932      1.606787    0.00   0.000008794   0.000007463   0.000002725
 O      0.793027     -0.735390     -0.060892    0.00  -0.000016297   0.000157046  -0.000067632
 O      0.877966     -1.684248     -1.111702    0.00  -0.000151620   0.000100253   0.000132644
 C      1.259168     -2.929335     -0.646898    0.00  -0.000058540  -0.000142238   0.000104990
 H      1.424605     -3.539726     -1.541793    0.00  -0.000005489  -0.000017303   0.000022749
 O      1.359453     -3.222265      0.517514    0.00   0.000065328  -0.000279824  -0.000118441
26
 Energy =       -0.20376392281
 C     -0.214764      2.050295      0.519703    0.00  -0.000054569  -0.000029289  -0.000046826
 C     -1.462381      2.175210     -0.364225    0.00  -0.000002668  -0.000049443  -0.000073826
 C     -1.634081      0.937097     -1.252818    0.00   0.000028206  -0.000012789  -0.000020707
 C     -1.775049     -0.337784     -0.401974    0.00   0.000066272   0.000021303   0.000020671
 C     -0.545063     -0.464647      0.521979    0.00   0.000024401   0.000035186   0.000048561
 C     -0.245111      0.778826      1.372344    0.00  -0.000005874   0.000008997   0.000009265
 H     -2.519392      1.053189     -1.904747    0.00   0.000004855  -0.000003536  -0.000003090
 H     -2.361417      2.321699      0.264617    0.00   0.000002673  -0.000006320  -0.000010115
 H     -1.383965      3.081031     -0.995626    0.00  -0.000004418  -0.000006111  -0.000007903
 H      0.693533      2.043590     -0.117987    0.00  -0.000008464  -0.000000284   0.000000370
 H     -0.122393      2.936099      1.176533    0.00  -0.000007953  -0.000003503  -0.000007485
 H     -2.667893     -0.224487      0.267211    0.00   0.000008190   0.000000682  -0.000001059
 H     -1.015664      0.846085      2.167473    0.00   0.000003054   0.000000541  -0.000002981
 H      0.719034      0.641576      1.903212    0.00  -0.000002569   0.000003479   0.000004044
 H     -0.763197      0.833787     -1.932547    0.00  -0.000000524   0.000000891   0.000001585
 O     -0.664758     -1.556131      1.429399    0.00   0.000085016   0.000102243   0.000123406
 C     -1.977926     -1.570946     -1.278092    0.00   0.000089971   0.000050461   0.000055098
 H     -2.058626     -2.489989     -0.686098    0.00   0.000013215   0.000007318   0.000006255
 H     -2.890057     -1.487695     -1.880144    0.00   0.000009479   0.000001611   0.000000789
 H     -1.138428     -1.713112     -1.977990    0.00   0.000004233   0.000003904   0.000008684
 H     -1.155014     -2.310267      1.031933    0.00   0.000003517  -0.000011398  -0.000006887
 O      0.733261     -0.661924     -0.158261    0.00  -0.000044212   0.000104045   0.000093249
 O      0.724776     -1.916189     -0.820999    0.00  -0.000101957   0.000036175   0.000242781
 C      1.440559     -2.825691     -0.009623    0.00  -0.000030375  -0.000055758  -0.000162881
 H      1.827758     -2.399621      0.915104    0.00   0.000002780   0.000013929  -0.000038420
 O      1.505804     -3.942292     -0.456757    0.00  -0.000082279  -0.000212333  -0.000232580
26
 Energy =      -0.203738258145
 C     -0.218375      2.051573      0.520576    0.00  -0.000058207  -0.000030987  -0.000053158
 C     -1.466347      2.173424     -0.363282    0.00  -0.000001303  -0.000053184  -0.000078865
 C     -1.634523      0.935304     -1.252535    0.00   0.000032294  -0.000013003  -0.000021127
 C     -1.772271     -0.340201     -0.402121    0.00   0.000072074   0.000023121   0.000022644
 C     -0.541709     -0.464360      0.521357    0.00   0.000026743   0.000038021   0.000053572
 C     -0.244712      0.779409      1.372327    0.00  -0.000006148   0.000009143   0.000007647
 H     -2.519987      1.049285     -1.904624    0.00   0.000005507  -0.000003644  -0.000003068
 H     -2.365801      2.317054      0.265617    0.00   0.000003071  -0.000006890  -0.000010542
 H     -1.390480      3.079804     -0.994196    0.00  -0.000004302  -0.000006497  -0.000008579
 H      0.689932      2.048114     -0.117137    0.00  -0.000009188  -0.000000120  -0.000000038
 H     -0.128678      2.937175      1.178055    0.00  -0.000008482  -0.000003831  -0.000008484
 H     -2.665217     -0.229045      0.267310    0.00   0.000008902   0.000000811  -0.000000885
 H     -1.014904      0.844015      2.168003    0.00   0.000003384   0.000000375  -0.000003231
 H      0.720182      0.644507      1.902486    0.00  -0.000002926   0.000003548   0.000003983
 H     -0.763210      0.834589     -1.932111    0.00  -0.000000422   0.000001121   0.000001562
 O     -0.658233     -1.557113      1.428155    0.00   0.000098167   0.000108382   0.000137575
 C     -1.972686     -1.573576     -1.278496    0.00   0.000097602   0.000054372   0.000058452
 H     -2.049949     -2.493176     -0.686903    0.00   0.000013827   0.000007853   0.000006882
 H     -2.885737     -1.492668     -1.879469    0.00   0.000010378   0.000001976   0.000000918
 H     -1.133577     -1.713095     -1.979427    0.00   0.000004588   0.000004213   0.000008916
 H     -1.156297     -2.308139      1.034692    0.00   0.000003125  -0.000010813  -0.000006800
 O      0.737258     -0.658584     -0.158239    0.00  -0.000048925   0.000108824   0.000104317
 O      0.731291     -1.910779     -0.824461    0.00  -0.000104631   0.000049338   0.000256420
 C      1.431969     -2.826816     -0.007158    0.00  -0.000040992  -0.000060801  -0.000169671
 H      1.812267     -2.405212      0.922505    0.00   0.000002173   0.000009487  -0.000038011
 O      1.493388     -3.943181     -0.455478    0.00  -0.000096307  -0.000230815  -0.000260428
26
 Energy =      -0.203710392673
 C     -0.221997      2.052784      0.521554    0.00  -0.000061538  -0.000032398  -0.000060474
 C     -1.470213      2.171598     -0.362378    0.00   0.000000757  -0.000056933  -0.000083376
 C     -1.634852      0.933468     -1.252280    0.00   0.000037326  -0.000012936  -0.000021013
 C     -1.769492     -0.342623     -0.402271    0.00   0.000078217   0.000025020   0.000024597
 C     -0.538348     -0.464093      0.520717    0.00   0.000029376   0.000040891   0.000058828
 C     -0.244408      0.779915      1.372382    0.00  -0.000006315   0.000009044   0.000004859
 H     -2.520411      1.045365     -1.904598    0.00   0.000006262  -0.000003729  -0.000002940
 H     -2.370138      2.312437      0.266475    0.00   0.000003487  -0.000007525  -0.000010859
 H     -1.396778      3.078508     -0.992825    0.00  -0.000004045  -0.000006848  -0.000009184
 H      0.686385      2.052589     -0.116075    0.00  -0.000009890   0.000000156  -0.000000560
 H     -0.135053      2.938160      1.179717    0.00  -0.000009008  -0.000004161  -0.000009632
 H     -2.662529     -0.233536      0.267400    0.00   0.000009617   0.000000967  -0.000000670
 H     -1.014322      0.841845      2.168514    0.00   0.000003726   0.000000091  -0.000003569
 H      0.721165      0.647351      1.901937    0.00  -0.000003313   0.000003608   0.000003735
 H     -0.763072      0.835294     -1.931633    0.00  -0.000000209   0.000001423   0.000001537
 O     -0.651574     -1.558218      1.426763    0.00   0.000113884   0.000114364   0.000153759
 C     -1.967516     -1.576226     -1.278856    0.00   0.000105634   0.000058372   0.000061039
 H     -2.041448     -2.496339     -0.687628    0.00   0.000014463   0.000008436   0.000007424
 H     -2.881448     -1.497612     -1.878789    0.00   0.000011305   0.000002337   0.000000948
 H     -1.128790     -1.713205     -1.980778    0.00   0.000004994   0.000004493   0.000009075
 H     -1.157329     -2.306118      1.037324    0.00   0.000002779  -0.000010117  -0.000006539
 O      0.741220     -0.655155     -0.158371    0.00  -0.000054951   0.000113156   0.000117091
 O      0.737732     -1.905419     -0.827799    0.00  -0.000107967   0.000062916   0.000270531
 C      1.423583     -2.827690     -0.004829    0.00  -0.000053567  -0.000065101  -0.000175440
 H      1.797597     -2.410229      0.929275    0.00   0.000001366   0.000005213  -0.000037108
 O      1.480699     -3.943968     -0.453998    0.00  -0.000112390  -0.000250742  -0.000292060
26
 Energy =      -0.203680139656
 C     -0.225616      2.053911      0.522656    0.00  -0.000064438  -0.000033439  -0.000068892
 C     -1.473940      2.169730     -0.361533    0.00   0.000003656  -0.000060658  -0.000087168
 C     -1.635045      0.931582     -1.252061    0.00   0.000043463  -0.000012526  -0.000020252
 C     -1.766723     -0.345049     -0.402418    0.00   0.000084743   0.000026995   0.000026500
 C     -0.534989     -0.463856      0.520063    0.00   0.000032343   0.000043800   0.000064311
 C     -0.244225      0.780327      1.372527    0.00  -0.000006364   0.000008650   0.000000653
 H     -2.520625      1.041429     -1.904691    0.00   0.000007127  -0.000003789  -0.000002684
 H     -2.374401      2.307875      0.267148    0.00   0.000003914  -0.000008232  -0.000011052
 H     -1.402783      3.077131     -0.991541    0.00  -0.000003633  -0.000007158  -0.000009678
 H      0.682919      2.056984     -0.114759    0.00  -0.000010553   0.000000565  -0.000001209
 H     -0.141512      2.939035      1.181533    0.00  -0.000009518  -0.000004493  -0.000010937
 H     -2.659835     -0.237929      0.267485    0.00   0.000010327   0.000001148  -0.000000418
 H     -1.013972      0.839566      2.169002    0.00   0.000004070  -0.000000338  -0.000004023
 H      0.721940      0.650078      1.901618    0.00  -0.000003728   0.000003670   0.000003259
 H     -0.762746      0.835866     -1.931107    0.00   0.000000142   0.000001804   0.000001520
 O     -0.644770     -1.559474      1.425198    0.00   0.000132489   0.000120111   0.000172174
 C     -1.962452     -1.578903     -1.279151    0.00   0.000114139   0.000062482   0.000062723
 H     -2.033148     -2.499477     -0.688235    0.00   0.000015155   0.000009092   0.000007869
 H     -2.877238     -1.502537     -1.878064    0.00   0.000012271   0.000002686   0.000000838
 H     -1.124111     -1.713462     -1.982036    0.00   0.000005454   0.000004728   0.000009170
 H     -1.158075     -2.304241      1.039777    0.00   0.000002502  -0.000009287  -0.000006066
 O      0.745132     -0.651619     -0.158677    0.00  -0.000062509   0.000116946   0.000131717
 O      0.744074     -1.900099     -0.831023    0.00  -0.000112156   0.000076763   0.000285140
 C      1.415447     -2.828279     -0.002642    0.00  -0.000068356  -0.000068483  -0.000179872
 H      1.783891     -2.414603      0.935384    0.00   0.000000331   0.000001275  -0.000035658
 O      1.467720     -3.944627     -0.452288    0.00  -0.000130873  -0.000272314  -0.000327967
26
 Energy =      -0.203647278889
 C     -0.229219      2.054932      0.523895    0.00  -0.000066776  -0.000034031  -0.000078476
 C     -1.477491      2.167816     -0.360766    0.00   0.000007533  -0.000064313  -0.000090050
 C     -1.635076      0.929636     -1.251886    0.00   0.000050849  -0.000011727  -0.000018741
 C     -1.763972     -0.347476     -0.402559    0.00   0.000091703   0.000029058   0.000028328
 C     -0.531643     -0.463654      0.519398    0.00   0.000035663   0.000046756   0.000069958
 C     -0.244189      0.780628      1.372782    0.00  -0.000006260   0.000007905  -0.000005228
 H     -2.520596      1.037483     -1.904922    0.00   0.000008112  -0.000003822  -0.000002286
 H     -2.378565      2.303395      0.267594    0.00   0.000004343  -0.000009023  -0.000011106
 H     -1.408416      3.075660     -0.990373    0.00  -0.000003052  -0.000007418  -0.000010024
 H      0.679567      2.061262     -0.113151    0.00  -0.000011156   0.000001128  -0.000001995
 H     -0.148042      2.939781      1.183515    0.00  -0.000009997  -0.000004830  -0.000012410
 H     -2.657146     -0.242202      0.267563    0.00   0.000011027   0.000001352  -0.000000133
 H     -1.013903      0.837168      2.169458    0.00   0.000004411  -0.000000939  -0.000004616
 H      0.722461      0.652662      1.901578    0.00  -0.000004167   0.000003740   0.000002513
 H     -0.762201      0.836273     -1.930530    0.00   0.000000652   0.000002276   0.000001521
 O     -0.637812     -1.560904      1.423443    0.00   0.000154225   0.000125542   0.000192989
 C     -1.957519     -1.581612     -1.279361    0.00   0.000123220   0.000066732   0.000063425
 H     -2.025061     -2.502592     -0.688693    0.00   0.000015949   0.000009857   0.000008216
 H     -2.873152     -1.507461     -1.877251    0.00   0.000013285   0.000003012   0.000000537
 H     -1.119588     -1.713878     -1.983200    0.00   0.000005960   0.000004899   0.000009226
 H     -1.158494     -2.302545      1.042006    0.00   0.000002329  -0.000008299  -0.000005352
 O      0.748976     -0.647961     -0.159176    0.00  -0.000071802   0.000120109   0.000148309
 O      0.750290     -1.894813     -0.834142    0.00  -0.000117426   0.000090622   0.000300201
 C      1.407601     -2.828549     -0.000603    0.00  -0.000085543  -0.000070766  -0.000182586
 H      1.771291     -2.418278      0.940797    0.00  -0.000000957  -0.000002130  -0.000033614
 O      1.454441     -3.945135     -0.450320    0.00  -0.000152124  -0.000295692  -0.000368606
26
 Energy =      -0.203611554336
 C     -0.232788      2.055829      0.525280    0.00  -0.000068402  -0.000034090  -0.000089267
 C     -1.480827      2.165857     -0.360093    0.00   0.000012526  -0.000067836  -0.000091833
 C     -1.634925      0.927624     -1.251761    0.00   0.000059605  -0.000010491  -0.000016387
 C     -1.761252     -0.349902     -0.402691    0.00   0.000099158   0.000031198   0.000030059
 C     -0.528320     -0.463495      0.518727    0.00   0.000039347   0.000049782   0.000075688
 C     -0.244323      0.780800      1.373165    0.00  -0.000005984   0.000006756  -0.000013021
 H     -2.520296      1.033529     -1.905306    0.00   0.000009222  -0.000003825  -0.000001735
 H     -2.382600      2.299028      0.267777    0.00   0.000004766  -0.000009901  -0.000011006
 H     -1.413606      3.074091     -0.989348    0.00  -0.000002294  -0.000007618  -0.000010178
 H      0.676357      2.065383     -0.111224    0.00  -0.000011672   0.000001859  -0.000002926
 H     -0.154625      2.940380      1.185667    0.00  -0.000010429  -0.000005172  -0.000014049
 H     -2.654473     -0.246330      0.267636    0.00   0.000011713   0.000001568   0.000000175
 H     -1.014165      0.834648      2.169875    0.00   0.000004739  -0.000001736  -0.000005374
 H      0.722686      0.655074      1.901867    0.00  -0.000004623   0.000003834   0.000001453
 H     -0.761412      0.836486     -1.929898    0.00   0.000001346   0.000002845   0.000001550
 O     -0.630704     -1.562524      1.421482    0.00   0.000179230   0.000130598   0.000216283
 C     -1.952745     -1.584362     -1.279470    0.00   0.000132992   0.000071183   0.000063143
 H     -2.017173     -2.505690     -0.688975    0.00   0.000016908   0.000010780   0.000008483
 H     -2.869235     -1.512404     -1.876302    0.00   0.000014364   0.000003302  -0.000000017
 H     -1.115266     -1.714454     -1.984282    0.00   0.000006493   0.000004980   0.000009284
 H     -1.158546     -2.301069      1.043965    0.00   0.000002304  -0.000007132  -0.000004362
 O      0.752736     -0.644171     -0.159882    0.00  -0.000083010   0.000122540   0.000166884
 O      0.756347     -1.889558     -0.837165    0.00  -0.000124029   0.000104136   0.000315605
 C      1.400098     -2.828469      0.001280    0.00  -0.000105228  -0.000071772  -0.000183142
 H      1.759948     -2.421203      0.945479    0.00  -0.000002506  -0.000004779  -0.000030926
 O      1.440861     -3.945467     -0.448075    0.00  -0.000176537  -0.000321009  -0.000414384
26
 Energy =      -0.203572673813
 C     -0.236303      2.056584      0.526818    0.00  -0.000069146  -0.000033543  -0.000101257
 C     -1.483915      2.163854     -0.359529    0.00   0.000018766  -0.000071151  -0.000092321
 C     -1.634575      0.925542     -1.251692    0.00   0.000069844  -0.000008777  -0.000013140
 C     -1.758570     -0.352327     -0.402810    0.00   0.000107161   0.000033394   0.000031679
 C     -0.525035     -0.463382      0.518059    0.00   0.000043398   0.000052900   0.000081380
 C     -0.244645      0.780835      1.373690    0.00  -0.000005532   0.000005175  -0.000022959
 H     -2.519702      1.029577     -1.905853    0.00   0.000010461  -0.000003793  -0.000001021
 H     -2.386480      2.294803      0.267668    0.00   0.000005174  -0.000010865  -0.000010743
 H     -1.418288      3.072416     -0.988489    0.00  -0.000001350  -0.000007748  -0.000010099
 H      0.673322      2.069307     -0.108957    0.00  -0.000012074   0.000002776  -0.000004010
 H     -0.161236      2.940821      1.187989    0.00  -0.000010793  -0.000005521  -0.000015839
 H     -2.651830     -0.250298      0.267696    0.00   0.000012388   0.000001785   0.000000498
 H     -1.014798      0.832008      2.170245    0.00   0.000005039  -0.000002754  -0.000006322
 H      0.722582      0.657289      1.902525    0.00  -0.000005088   0.000003961   0.000000040
 H     -0.760359      0.836480     -1.929213    0.00   0.000002238   0.000003510   0.000001617
 O     -0.623454     -1.564342      1.419313    0.00   0.000207495   0.000135259   0.000242035
 C     -1.948142     -1.587156     -1.279466    0.00   0.000143606   0.000075925   0.000061984
 H     -2.009445     -2.508774     -0.689064    0.00   0.000018111   0.000011926   0.000008714
 H     -2.865532     -1.517396     -1.875163    0.00   0.000015538   0.000003540  -0.000000898
 H     -1.111184     -1.715171     -1.985307    0.00   0.000007018   0.000004939   0.000009401
 H     -1.158194     -2.299849      1.045612    0.00   0.000002480  -0.000005775  -0.000003064
 O      0.756392     -0.640245     -0.160801    0.00  -0.000096247   0.000124131   0.000187363
 O      0.762204     -1.884330     -0.840098    0.00  -0.000132261   0.000116818   0.000331161
 C      1.392986     -2.828020      0.002994    0.00  -0.000127420  -0.000071339  -0.000181023
 H      1.750012     -2.423336      0.949391    0.00  -0.000004308  -0.000006443  -0.000027526
 O      1.426988     -3.945601     -0.445537    0.00  -0.000204499  -0.000348331  -0.000465648
26
 Energy =      -0.203530310836
 C     -0.239742      2.057184      0.528507    0.00  -0.000068841  -0.000032312  -0.000114382
 C     -1.486723      2.161810     -0.359087    0.00   0.000026383  -0.000074163  -0.000091342
 C     -1.634017      0.923387     -1.251682    0.00   0.000081654  -0.000006550  -0.000008946
 C     -1.755937     -0.354749     -0.402917    0.00   0.000115801   0.000035632   0.000033183
 C     -0.521804     -0.463323      0.517402    0.00   0.000047788   0.000056168   0.000086861
 C     -0.245172      0.780722      1.374368    0.00  -0.000004878   0.000003113  -0.000035245
 H     -2.518804      1.025632     -1.906566    0.00   0.000011828  -0.000003724  -0.000000144
 H     -2.390177      2.290745      0.267245    0.00   0.000005562  -0.000011914  -0.000010301
 H     -1.422403      3.070631     -0.987817    0.00  -0.000000214  -0.000007797  -0.000009757
 H      0.670488      2.072993     -0.106342    0.00  -0.000012325   0.000003881  -0.000005244
 H     -0.167839      2.941093      1.190471    0.00  -0.000011075  -0.000005875  -0.000017764
 H     -2.649230     -0.254099      0.267740    0.00   0.000013060   0.000001981   0.000000827
 H     -1.015836      0.829252      2.170563    0.00   0.000005298  -0.000004011  -0.000007477
 H      0.722118      0.659287      1.903587    0.00  -0.000005557   0.000004131  -0.000001770
 H     -0.759032      0.836239     -1.928476    0.00   0.000003344   0.000004276   0.000001730
 O     -0.616081     -1.566361      1.416939    0.00   0.000238848   0.000139548   0.000270071
 C     -1.943716     -1.589996     -1.279348    0.00   0.000155239   0.000081075   0.000060170
 H     -2.001810     -2.511856     -0.688958    0.00   0.000019655   0.000013372   0.000008971
 H     -2.862083     -1.522477     -1.873782    0.00   0.000016833   0.000003705  -0.000002185
 H     -1.107383     -1.715995     -1.986316    0.00   0.000007490   0.000004738   0.000009664
 H     -1.157398     -2.298921      1.046910    0.00   0.000002923  -0.000004212  -0.000001422
 O      0.759923     -0.636185     -0.161933    0.00  -0.000111607   0.000124785   0.000209582
 O      0.767817     -1.879136     -0.842949    0.00  -0.000142450   0.000128037   0.000346539
 C      1.386312     -2.827182      0.004524    0.00  -0.000152039  -0.000069310  -0.000175597
 H      1.741624     -2.424655      0.952497    0.00  -0.000006336  -0.000006896  -0.000023331
 O      1.412838     -3.945520     -0.442696    0.00  -0.000236384  -0.000377679  -0.000522692
26
 Energy =      -0.203484107954
 C     -0.243086      2.057615      0.530344    0.00  -0.000067299  -0.000030335  -0.000128532
 C     -1.489224      2.159729     -0.358775    0.00   0.000035497  -0.000076761  -0.000088738
 C     -1.633243      0.921161     -1.251734    0.00   0.000095115  -0.000003773  -0.000003783
 C     -1.753359     -0.357166     -0.403013    0.00   0.000125169   0.000037870   0.000034580
 C     -0.518643     -0.463317      0.516770    0.00   0.000052477   0.000059635   0.000091920
 C     -0.245913      0.780457      1.375211    0.00  -0.000004044   0.000000567  -0.000050067
 H     -2.517597      1.021707     -1.907445    0.00   0.000013326  -0.000003610   0.000000896
 H     -2.393665      2.286878      0.266497    0.00   0.000005929  -0.000013036  -0.000009671
 H     -1.425910      3.068740     -0.987345    0.00   0.000001121  -0.000007752  -0.000009122
 H      0.667879      2.076405     -0.103379    0.00  -0.000012390   0.000005180  -0.000006631
 H     -0.174400      2.941189      1.193098    0.00  -0.000011253  -0.000006236  -0.000019793
 H     -2.646690     -0.257732      0.267755    0.00   0.000013741   0.000002132   0.000001159
 H     -1.017302      0.826394      2.170824    0.00   0.000005492  -0.000005524  -0.000008852
 H      0.721273      0.661051      1.905078    0.00  -0.000006022   0.000004353  -0.000004009
 H     -0.757427      0.835747     -1.927693    0.00   0.000004675   0.000005138   0.000001895
 O     -0.608613     -1.568571      1.414376    0.00   0.000272923   0.000143562   0.000300058
 C     -1.939462     -1.592883     -1.279115    0.00   0.000168089   0.000086776   0.000058060
 H     -1.994170     -2.514944     -0.688666    0.00   0.000021655   0.000015206   0.000009345
 H     -2.858923     -1.527692     -1.872099    0.00   0.000018290   0.000003776  -0.000003958
 H     -1.103890     -1.716876     -1.987363    0.00   0.000007849   0.000004335   0.000010174
 H     -1.156121     -2.298316      1.047832    0.00   0.000003719  -0.000002435   0.000000605
 O      0.763311     -0.632001     -0.163272    0.00  -0.000129089   0.000124395   0.000233217
 O      0.773140     -1.873978     -0.845724    0.00  -0.000154973   0.000137023   0.000361323
 C      1.380127     -2.825948      0.005851    0.00  -0.000178937  -0.000065521  -0.000166084
 H      1.734920     -2.425143      0.954755    0.00  -0.000008545  -0.000005915  -0.000018204
 O      1.398432     -3.945205     -0.439549    0.00  -0.000272512  -0.000409049  -0.000585791
26
 Energy =      -0.203433679869
 C     -0.246313      2.057871      0.532320    0.00  -0.000064326  -0.000027561  -0.000143547
 C     -1.491401      2.157614     -0.358598    0.00   0.000046229  -0.000078826  -0.000084397
 C     -1.632253      0.918863     -1.251845    0.00   0.000110311  -0.000000406   0.000002363
 C     -1.750843     -0.359580     -0.403096    0.00   0.000135387   0.000040050   0.000035901
 C     -0.515567     -0.463366      0.516175    0.00   0.000057425   0.000063371   0.000096283
 C     -0.246876      0.780039      1.376223    0.00  -0.000003065  -0.000002450  -0.000067576
 H     -2.516084      1.017807     -1.908481    0.00   0.000014958  -0.000003446   0.000002100
 H     -2.396922      2.283218      0.265422    0.00   0.000006281  -0.000014217  -0.000008844
 H     -1.428780      3.066741     -0.987081    0.00   0.000002660  -0.000007599  -0.000008175
 H      0.665514      2.079503     -0.100082    0.00  -0.000012231   0.000006665  -0.000008165
 H     -0.180876      2.941110      1.195847    0.00  -0.000011306  -0.000006599  -0.000021882
 H     -2.644221     -0.261207      0.267730    0.00   0.000014452   0.000002203   0.000001490
 H     -1.019212      0.823453      2.171025    0.00   0.000005601  -0.000007304  -0.000010455
 H      0.720032      0.662568      1.907016    0.00  -0.000006478   0.000004630  -0.000006709
 H     -0.755549      0.835001     -1.926869    0.00   0.000006238   0.000006096   0.000002115
 O     -0.601081     -1.570956      1.411650    0.00   0.000309134   0.000147487   0.000331434
 C     -1.935363     -1.595816     -1.278781    0.00   0.000182391   0.000093169   0.000056148
 H     -1.986406     -2.518049     -0.688210    0.00   0.000024219   0.000017507   0.000009943
 H     -2.856075     -1.533091     -1.870064    0.00   0.000019950   0.000003734  -0.000006278
 H     -1.100727     -1.717749     -1.988513    0.00   0.000008037   0.000003693   0.000011043
 H     -1.154320     -2.298065      1.048349    0.00   0.000004971  -0.000000446   0.000003076
 O      0.766538     -0.627706     -0.164803    0.00  -0.000148644   0.000122904   0.000257844
 O      0.778117     -1.868866     -0.848431    0.00  -0.000170267   0.000142849   0.000374955
 C      1.374476     -2.824318      0.006953    0.00  -0.000207924  -0.000059784  -0.000151445
 H      1.730031     -2.424802      0.956114    0.00  -0.000010879  -0.000003260  -0.000011952
 O      1.383796     -3.944647     -0.436097    0.00  -0.000313125  -0.000442460  -0.000655269
26
 Energy =      -0.203378613949
 C     -0.249402      2.057943      0.534420    0.00  -0.000059725  -0.000023960  -0.000159199
 C     -1.493239      2.155466     -0.358555    0.00   0.000058713  -0.000080233  -0.000078277
 C     -1.631050      0.916498     -1.252014    0.00   0.000127323   0.000003590   0.000009520
 C     -1.748390     -0.361994     -0.403172    0.00   0.000146636   0.000042135   0.000037204
 C     -0.512593     -0.463471      0.515634    0.00   0.000062522   0.000067472   0.000099597
 C     -0.248060      0.779472      1.377407    0.00  -0.000001954  -0.000005930  -0.000087889
 H     -2.514274      1.013943     -1.909664    0.00   0.000016722  -0.000003230   0.000003459
 H     -2.399929      2.279773      0.264029    0.00   0.000006636  -0.000015438  -0.000007811
 H     -1.431000      3.064639     -0.987026    0.00   0.000004411  -0.000007331  -0.000006928
 H      0.663410      2.082254     -0.096471    0.00  -0.000011798   0.000008317  -0.000009835
 H     -0.187222      2.940856      1.198691    0.00  -0.000011219  -0.000006959  -0.000023982
 H     -2.641839     -0.264542      0.267648    0.00   0.000015222   0.000002155   0.000001823
 H     -1.021568      0.820450      2.171161    0.00   0.000005602  -0.000009348  -0.000012280
 H      0.718391      0.663832      1.909409    0.00  -0.000006925   0.000004963  -0.000009897
 H     -0.753405      0.833999     -1.926009    0.00   0.000008043   0.000007156   0.000002399
 O     -0.593527     -1.573491      1.408797    0.00   0.000346629   0.000151550   0.000363374
 C     -1.931392     -1.598794     -1.278364    0.00   0.000198395   0.000100363   0.000055069
 H     -1.978392     -2.521183     -0.687625    0.00   0.000027443   0.000020341   0.000010876
 H     -2.853550     -1.538721     -1.867637    0.00   0.000021854   0.000003572  -0.000009176
 H     -1.097905     -1.718548     -1.989836    0.00   0.000008003   0.000002787   0.000012383
 H     -1.151948     -2.298199      1.048439    0.00   0.000006821   0.000001758   0.000006058
 O      0.769586     -0.623322     -0.166505    0.00  -0.000170098   0.000120311   0.000282854
 O      0.782696     -1.863809     -0.851073    0.00  -0.000188851   0.000144444   0.000386820
 C      1.369409     -2.822295      0.007798    0.00  -0.000238766  -0.000051844  -0.000130275
 H      1.727092     -2.423639      0.956513    0.00  -0.000013265   0.000001357  -0.000004295
 O      1.368958     -3.943837     -0.432344    0.00  -0.000358376  -0.000478000  -0.000731591
26
 Energy =      -0.203318465189
 C     -0.252333      2.057829      0.536628    0.00  -0.000053248  -0.000019539  -0.000175220
 C     -1.494733      2.153292     -0.358644    0.00   0.000073079  -0.000080883  -0.000070432
 C     -1.629640      0.914066     -1.252240    0.00   0.000146254   0.000008275   0.000017692
 C     -1.746001     -0.364412     -0.403246    0.00   0.000159078   0.000043985   0.000038601
 C     -0.509737     -0.463630      0.515164    0.00   0.000067780   0.000072013   0.000101477
 C     -0.249462      0.778764      1.378763    0.00  -0.000000766  -0.000009771  -0.000111023
 H     -2.512180      1.010120     -1.910982    0.00   0.000018633  -0.000002948   0.000004990
 H     -2.402669      2.276543      0.262335    0.00   0.000007029  -0.000016672  -0.000006590
 H     -1.432573      3.062437     -0.987174    0.00   0.000006374  -0.000006937  -0.000005396
 H      0.661577      2.084629     -0.092580    0.00  -0.000011054   0.000010110  -0.000011634
 H     -0.193393      2.940436      1.201595    0.00  -0.000010963  -0.000007313  -0.000026017
 H     -2.639560     -0.267759      0.267490    0.00   0.000016084   0.000001943   0.000002158
 H     -1.024366      0.817414      2.171237    0.00   0.000005469  -0.000011655  -0.000014320
 H      0.716353      0.664840      1.912256    0.00  -0.000007353   0.000005348  -0.000013578
 H     -0.751008      0.832747     -1.925120    0.00   0.000010088   0.000008315   0.000002745
 O     -0.586002     -1.576141      1.405863    0.00   0.000384221   0.000156064   0.000394684
 C     -1.927516     -1.601811     -1.277887    0.00   0.000216370   0.000108410   0.000055526
 H     -1.970006     -2.524357     -0.686959    0.00   0.000031373   0.000023719   0.000012282
 H     -2.851344     -1.544622     -1.864795    0.00   0.000024063   0.000003316  -0.000012620
 H     -1.095423     -1.719202     -1.991398    0.00   0.000007713   0.000001596   0.000014267
 H     -1.148949     -2.298753      1.048075    0.00   0.000009461   0.000004123   0.000009651
 O      0.772440     -0.618875     -0.168350    0.00  -0.000193195   0.000116888   0.000307465
 O      0.786817     -1.858815     -0.853663    0.00  -0.000211327   0.000140509   0.000396250
 C      1.364982     -2.819886      0.008346    0.00  -0.000271185  -0.000041341  -0.000100609
 H      1.726257     -2.421668      0.955866    0.00  -0.000015619   0.000008305   0.000005151
 O      1.353943     -3.942771     -0.428294    0.00  -0.000408358  -0.000515862  -0.000815501
26
 Energy =      -0.203252742076
 C     -0.255087      2.057527      0.538920    0.00  -0.000044651  -0.000014365  -0.000191214
 C     -1.495883      2.151088     -0.358854    0.00   0.000089480  -0.000080692  -0.000061074
 C     -1.628030      0.911575     -1.252514    0.00   0.000167186   0.000013678   0.000026946
 C     -1.743675     -0.366837     -0.403324    0.00   0.000172982   0.000045515   0.000040254
 C     -0.507015     -0.463845      0.514785    0.00   0.000073108   0.000077131   0.000101375
 C     -0.251072      0.777923      1.380287    0.00   0.000000546  -0.000013892  -0.000136912
 H     -2.509816      1.006346     -1.912421    0.00   0.000020686  -0.000002603   0.000006685
 H     -2.405128      2.273519      0.260370    0.00   0.000007519  -0.000017887  -0.000005197
 H     -1.433520      3.060145     -0.987509    0.00   0.000008539  -0.000006420  -0.000003655
 H      0.660021      2.086596     -0.088453    0.00  -0.000009944   0.000011988  -0.000013536
 H     -0.199336      2.939858      1.204520    0.00  -0.000010519  -0.000007651  -0.000027918
 H     -2.637394     -0.270888      0.267234    0.00   0.000017075   0.000001521   0.000002510
 H     -1.027586      0.814375      2.171253    0.00   0.000005187  -0.000014184  -0.000016533
 H      0.713930      0.665594      1.915543    0.00  -0.000007760   0.000005770  -0.000017746
 H     -0.748372      0.831256     -1.924206    0.00   0.000012373   0.000009594   0.000003167
 O     -0.578566     -1.578867      1.402906    0.00   0.000420310   0.000161264   0.000423729
 C     -1.923701     -1.604861     -1.277384    0.00   0.000236561   0.000117216   0.000058285
 H     -1.961155     -2.527573     -0.686267    0.00   0.000035975   0.000027602   0.000014282
 H     -2.849435     -1.550819     -1.861539    0.00   0.000026631   0.000003024  -0.000016509
 H     -1.093264     -1.719653     -1.993256    0.00   0.000007160   0.000000131   0.000016713
 H     -1.145251     -2.299766      1.047225    0.00   0.000013156   0.000006563   0.000013968
 O      0.775089     -0.614395     -0.170298    0.00  -0.000217459   0.000113028   0.000330657
 O      0.790425     -1.853897     -0.856206    0.00  -0.000238434   0.000129769   0.000402765
 C      1.361258     -2.817104      0.008544    0.00  -0.000304792  -0.000027791  -0.000059817
 H      1.727700     -2.418906      0.954063    0.00  -0.000017832   0.000018085   0.000016909
 O      1.338776     -3.941450     -0.423951    0.00  -0.000463083  -0.000556396  -0.000908135
26
 Energy =      -0.203180879761
 C     -0.257643      2.057039      0.541270    0.00  -0.000033637  -0.000008590  -0.000206753
 C     -1.496697      2.148857     -0.359176    0.00   0.000108052  -0.000079623  -0.000050604
 C     -1.626232      0.909030     -1.252837    0.00   0.000190182   0.000019810   0.000037323
 C     -1.741412     -0.369273     -0.403416    0.00   0.000188584   0.000046543   0.000042389
 C     -0.504447     -0.464115      0.514517    0.00   0.000078577   0.000082820   0.000098786
 C     -0.252873      0.776964      1.381971    0.00   0.000002066  -0.000018095  -0.000165275
 H     -2.507200      1.002627     -1.913967    0.00   0.000022898  -0.000002191   0.000008560
 H     -2.407301      2.270676      0.258177    0.00   0.000008187  -0.000019054  -0.000003683
 H     -1.433881      3.057770     -0.988006    0.00   0.000010889  -0.000005784  -0.000001793
 H      0.658742      2.088133     -0.084145    0.00  -0.000008425   0.000013882  -0.000015510
 H     -0.204995      2.939134      1.207422    0.00  -0.000009856  -0.000007968  -0.000029574
 H     -2.635351     -0.273958      0.266860    0.00   0.000018232   0.000000845   0.000002887
 H     -1.031193      0.811366      2.171217    0.00   0.000004759  -0.000016875  -0.000018872
 H      0.711149      0.666100      1.919242    0.00  -0.000008124   0.000006206  -0.000022343
 H     -0.745513      0.829546     -1.923272    0.00   0.000014880   0.000010996   0.000003670
 O     -0.571297     -1.581621      1.399995    0.00   0.000452801   0.000167371   0.000448270
 C     -1.919914     -1.607935     -1.276888    0.00   0.000259177   0.000126516   0.000064051
 H     -1.951790     -2.530832     -0.685610    0.00   0.000041102   0.000031852   0.000016999
 H     -2.847783     -1.557311     -1.857907    0.00   0.000029618   0.000002811  -0.000020648
 H     -1.091399     -1.719866     -1.995445    0.00   0.000006370  -0.000001581   0.000019636
 H     -1.140773     -2.301281      1.045845    0.00   0.000018267   0.000008832   0.000019154
 O      0.777526     -0.609923     -0.172303    0.00  -0.000242174   0.000109768   0.000351106
 O      0.793464     -1.849064     -0.858714    0.00  -0.000270985   0.000110788   0.000406086
 C      1.358323     -2.813962      0.008327    0.00  -0.000338925  -0.000010622  -0.000004373
 H      1.731631     -2.415374      0.950958    0.00  -0.000019737   0.000031287   0.000031706
 O      1.323483     -3.939879     -0.419312    0.00  -0.000522779  -0.000599943  -0.001011193
26
 Energy =      -0.203102195901
 C     -0.259984      2.056366      0.543643    0.00  -0.000019898  -0.000002442  -0.000221295
 C     -1.497195      2.146596     -0.359586    0.00   0.000128904  -0.000077717  -0.000039633
 C     -1.624259      0.906442     -1.253202    0.00   0.000215233   0.000026616   0.000048866
 C     -1.739208     -0.371723     -0.403535    0.00   0.000206138   0.000046876   0.000045295
 C     -0.502050     -0.464444      0.514380    0.00   0.000084283   0.000089071   0.000093079
 C     -0.254836      0.775900      1.383799    0.00   0.000004049  -0.000022153  -0.000195577
 H     -2.504355      0.998976     -1.915609    0.00   0.000025264  -0.000001716   0.000010618
 H     -2.409181      2.267979      0.255810    0.00   0.000009132  -0.000020127  -0.000002128
 H     -1.433719      3.055325     -0.988631    0.00   0.000013380  -0.000005049   0.000000045
 H      0.657735      2.089216     -0.079730    0.00  -0.000006458   0.000015690  -0.000017507
 H     -0.210313      2.938279      1.210251    0.00  -0.000008945  -0.000008251  -0.000030889
 H     -2.633442     -0.276994      0.266344    0.00   0.000019586  -0.000000118   0.000003311
 H     -1.035131      0.808425      2.171141    0.00   0.000004209  -0.000019632  -0.000021250
 H      0.708055      0.666367      1.923305    0.00  -0.000008421   0.000006622  -0.000027272
 H     -0.742452      0.827642     -1.922325    0.00   0.000017582   0.000012531   0.000004264
 O     -0.564293     -1.584347      1.397206    0.00   0.000479140   0.000174329   0.000465521
 C     -1.916131     -1.611022     -1.276441    0.00   0.000284302   0.000135822   0.000073359
 H     -1.941927     -2.534121     -0.685047    0.00   0.000046495   0.000036250   0.000020506
 H     -2.846337     -1.564067     -1.853970    0.00   0.000033062   0.000002814  -0.000024765
 H     -1.089789     -1.719828     -1.997975    0.00   0.000005407  -0.000003486   0.000022863
 H     -1.135430     -2.303345      1.043880    0.00   0.000025198   0.000010594   0.000025327
 O      0.779751     -0.605505     -0.174298    0.00  -0.000266300   0.000108568   0.000367184
 O      0.795889     -1.844328     -0.861198    0.00  -0.000309774   0.000082414   0.000406623
 C      1.356267     -2.810481      0.007613    0.00  -0.000372541   0.000010658   0.000069936
 H      1.738286     -2.411101      0.946371    0.00  -0.000021087   0.000048474   0.000050418
 O      1.308091     -3.938066     -0.414376    0.00  -0.000587941  -0.000646639  -0.001126898
26
 Energy =      -0.203015829559
 C     -0.262091      2.055515      0.546002    0.00  -0.000003150   0.000003758  -0.000234291
 C     -1.497398      2.144306     -0.360064    0.00   0.000152076  -0.000075073  -0.000028950
 C     -1.622132      0.903822     -1.253606    0.00   0.000242216   0.000033944   0.000061548
 C     -1.737063     -0.374185     -0.403692    0.00   0.000225822   0.000046288   0.000049289
 C     -0.499847     -0.464838      0.514390    0.00   0.000090484   0.000095672   0.000083696
 C     -0.256921      0.774747      1.385747    0.00   0.000006877  -0.000025742  -0.000226965
 H     -2.501311      0.995405     -1.917327    0.00   0.000027773  -0.000001184   0.000012847
 H     -2.410773      2.265386      0.253339    0.00   0.000010462  -0.000021064  -0.000000637
 H     -1.433118      3.052828     -0.989338    0.00   0.000015954  -0.000004248   0.000001699
 H      0.656988      2.089834     -0.075292    0.00  -0.000004028   0.000017307  -0.000019462
 H     -0.215228      2.937308      1.212951    0.00  -0.000007758  -0.000008483  -0.000031769
 H     -2.631673     -0.280016      0.265671    0.00   0.000021164  -0.000001383   0.000003804
 H     -1.039320      0.805588      2.171038    0.00   0.000003590  -0.000022320  -0.000023569
 H      0.704713      0.666403      1.927662    0.00  -0.000008601   0.000006977  -0.000032366
 H     -0.739219      0.825580     -1.921373    0.00   0.000020425   0.000014189   0.000004954
 O     -0.557674     -1.586988      1.394623    0.00   0.000496429   0.000181766   0.000472109
 C     -1.912345     -1.614101     -1.276080    0.00   0.000311815   0.000144416   0.000086452
 H     -1.931657     -2.537420     -0.684633    0.00   0.000051809   0.000040496   0.000024797
 H     -2.845033     -1.571014     -1.849838    0.00   0.000036953   0.000003165  -0.000028529
 H     -1.088385     -1.719557     -2.000822    0.00   0.000004379  -0.000005510   0.000026137
 H     -1.129147     -2.306001      1.041277    0.00   0.000034335   0.000011417   0.000032596
 O      0.781770     -0.601198     -0.176206    0.00  -0.000288442   0.000111463   0.000377061
 O      0.797671     -1.839697     -0.863673    0.00  -0.000355406   0.000043983   0.000405500
 C      1.355199     -2.806690      0.006310    0.00  -0.000403954   0.000036217   0.000167833
 H      1.747898     -2.406131      0.940100    0.00  -0.000021490   0.000069941   0.000074132
 O      1.292640     -3.936023     -0.409138    0.00  -0.000659733  -0.000695992  -0.001257915
26
 Energy =      -0.202920671281
 C     -0.263951      2.054495      0.548302    0.00   0.000016794   0.000009679  -0.000245235
 C     -1.497347      2.141992     -0.360581    0.00   0.000177488  -0.000071861  -0.000019445
 C     -1.619883      0.901193     -1.254046    0.00   0.000270831   0.000041542   0.000075207
 C     -1.734978     -0.376650     -0.403901    0.00   0.000247683   0.000044522   0.000054635
 C     -0.497856     -0.465302      0.514557    0.00   0.000097557   0.000102259   0.000070227
 C     -0.259078      0.773525      1.387782    0.00   0.000011133  -0.000028573  -0.000258286
 H     -2.498109      0.991935     -1.919106    0.00   0.000030397  -0.000000611   0.000015221
 H     -2.412083      2.262848      0.250841    0.00   0.000012263  -0.000021831   0.000000662
 H     -1.432180      3.050302     -0.990074    0.00   0.000018534  -0.000003422   0.000003003
 H      0.656480      2.089986     -0.070927    0.00  -0.000001144   0.000018623  -0.000021292
 H     -0.219681      2.936238      1.215473    0.00  -0.000006282  -0.000008646  -0.000032152
 H     -2.630048     -0.283032      0.264831    0.00   0.000022973  -0.000002941   0.000004386
 H     -1.043650      0.802888      2.170932    0.00   0.000002995  -0.000024764  -0.000025716
 H      0.701211      0.666224      1.932213    0.00  -0.000008598   0.000007233  -0.000037402
 H     -0.735853      0.823403     -1.920425    0.00   0.000023342   0.000015946   0.000005733
 O     -0.551575     -1.589485      1.392328    0.00   0.000501836   0.000188798   0.000464421
 C     -1.908566     -1.617152     -1.275838    0.00   0.000341305   0.000151404   0.000103152
 H     -1.921151     -2.540698     -0.684410    0.00   0.000056683   0.000044253   0.000029731
 H     -2.843810     -1.578049     -1.845648    0.00   0.000041206   0.000003925  -0.000031603
 H     -1.087134     -1.719106     -2.003932    0.00   0.000003437  -0.000007559   0.000029183
 H     -1.121885     -2.309269      1.037997    0.00   0.000045886   0.000010965   0.000041019
 O      0.783599     -0.597065     -0.177940    0.00  -0.000306900   0.000120846   0.000378946
 O      0.798814     -1.835182     -0.866156    0.00  -0.000408023  -0.000004273   0.000404784
 C      1.355215     -2.802628      0.004326    0.00  -0.000430800   0.000065505   0.000293733
 H      1.760652     -2.400540      0.931941    0.00  -0.000020382   0.000095333   0.000103999
 O      1.277187     -3.933765     -0.403589    0.00  -0.000740214  -0.000746352  -0.001406912
26
 Energy =      -0.202815312278
 C     -0.265551      2.053323      0.550499    0.00   0.000039960   0.000015015  -0.000253800
 C     -1.497085      2.139659     -0.361107    0.00   0.000204910  -0.000068273  -0.000011957
 C     -1.617548      0.898577     -1.254516    0.00   0.000300618   0.000049059   0.000089486
 C     -1.732960     -0.379107     -0.404172    0.00   0.000271603   0.000041383   0.000061477
 C     -0.496092     -0.465846      0.514882    0.00   0.000106022   0.000108250   0.000052591
 C     -0.261242      0.772251      1.389861    0.00   0.000017461  -0.000030347  -0.000288172
 H     -2.494803      0.988587     -1.920918    0.00   0.000033081  -0.000000012   0.000017674
 H     -2.413128      2.260323      0.248402    0.00   0.000014576  -0.000022395   0.000001642
 H     -1.431016      3.047777     -0.990787    0.00   0.000021037  -0.000002611   0.000003835
 H      0.656186      2.089694     -0.066734    0.00   0.000002135   0.000019564  -0.000022919
 H     -0.223629      2.935085      1.217770    0.00  -0.000004505  -0.000008722  -0.000032029
 H     -2.628564     -0.286039      0.263828    0.00   0.000025010  -0.000004743   0.000005067
 H     -1.047997      0.800352      2.170843    0.00   0.000002531  -0.000026798  -0.000027598
 H      0.697657      0.665846      1.936839    0.00  -0.000008320   0.000007361  -0.000042110
 H     -0.732406      0.821165     -1.919496    0.00   0.000026245   0.000017742   0.000006583
 O     -0.546137     -1.591784      1.390394    0.00   0.000493216   0.000193961   0.000439151
 C     -1.904826     -1.620144     -1.275742    0.00   0.000372043   0.000155855   0.000122823
 H     -1.910641     -2.543916     -0.684399    0.00   0.000060838   0.000047198   0.000035007
 H     -2.842615     -1.585034     -1.841553    0.00   0.000045632   0.000005035  -0.000033712
 H     -1.085990     -1.718543     -2.007220    0.00   0.000002757  -0.000009540   0.000031783
 H     -1.113666     -2.313133      1.034039    0.00   0.000059690   0.000009236   0.000050590
 O      0.785261     -0.593174     -0.179409    0.00  -0.000319916   0.000138996   0.000371401
 O      0.799356     -1.830789     -0.868662    0.00  -0.000467018  -0.000060880   0.000407478
 C      1.356380     -2.798354      0.001582    0.00  -0.000450265   0.000096877   0.000450488
 H      1.776614     -2.394440      0.921725    0.00  -0.000017066   0.000123368   0.000141034
 O      1.261810     -3.931311     -0.397730    0.00  -0.000832274  -0.000794578  -0.001575813
26
 Energy =      -0.202698056168
 C     -0.266895      2.052019      0.552558    0.00   0.000066150   0.000019573  -0.000259897
 C     -1.496662      2.137321     -0.361614    0.00   0.000233945  -0.000064477  -0.000007109
 C     -1.615172      0.896004     -1.255008    0.00   0.000330960   0.000056137   0.000103861
 C     -1.731018     -0.381539     -0.404513    0.00   0.000297306   0.000036816   0.000069723
 C     -0.494562     -0.466476      0.515356    0.00   0.000116368   0.000113017   0.000031098
 C     -0.263351      0.770938      1.391935    0.00   0.000026517  -0.000030935  -0.000315256
 H     -2.491457      0.985387     -1.922737    0.00   0.000035762   0.000000584   0.000020108
 H     -2.413933      2.257779      0.246095    0.00   0.000017384  -0.000022739   0.000002208
 H     -1.429735      3.045280     -0.991430    0.00   0.000023391  -0.000001855   0.000004119
 H      0.656074      2.089000     -0.062799    0.00   0.000005717   0.000020096  -0.000024277
 H     -0.227047      2.933868      1.219814    0.00  -0.000002442  -0.000008695  -0.000031456
 H     -2.627220     -0.289024      0.262678    0.00   0.000027249  -0.000006719   0.000005846
 H     -1.052229      0.797993      2.170791    0.00   0.000002318  -0.000028277  -0.000029156
 H      0.694163      0.665287      1.941411    0.00  -0.000007674   0.000007360  -0.000046243
 H     -0.728937      0.818914     -1.918600    0.00   0.000029057   0.000019507   0.000007472
 O     -0.541474     -1.593846      1.388873    0.00   0.000469734   0.000195355   0.000394115
 C     -1.901173     -1.623052     -1.275806    0.00   0.000403052   0.000156949   0.000144431
 H     -1.900385     -2.547038     -0.684605    0.00   0.000064144   0.000049099   0.000040194
 H     -2.841413     -1.591825     -1.837698    0.00   0.000049953   0.000006300  -0.000034699
 H     -1.084915     -1.717954     -2.010588    0.00   0.000002513  -0.000011357   0.000033842
 H     -1.104589     -2.317532      1.029467    0.00   0.000075175   0.000006707   0.000061187
 O      0.786788     -0.589587     -0.180538    0.00  -0.000325919   0.000167507   0.000353749
 O      0.799375     -1.826523     -0.871210    0.00  -0.000531001  -0.000123202   0.000417181
 C      1.358702     -2.793936     -0.001972    0.00  -0.000459815   0.000127631   0.000638222
 H      1.795674     -2.387986      0.909365    0.00  -0.000010874   0.000151917   0.000185750
 O      1.246605     -3.928679     -0.391565    0.00  -0.000938971  -0.000836300  -0.001765013
26
 Energy =      -0.202567026102
 C     -0.267993      2.050609      0.554453    0.00   0.000094930   0.000023294  -0.000263691
 C     -1.496125      2.134991     -0.362079    0.00   0.000264060  -0.000060594  -0.000005201
 C     -1.612803      0.893496     -1.255514    0.00   0.000361222   0.000062485   0.000117684
 C     -1.729158     -0.383929     -0.404923    0.00   0.000324336   0.000030849   0.000079082
 C     -0.493263     -0.467198      0.515955    0.00   0.000129071   0.000116033   0.000006526
 C     -0.265345      0.769604      1.393960    0.00   0.000038824  -0.000030376  -0.000338459
 H     -2.488133      0.982350     -1.924529    0.00   0.000038365   0.000001163   0.000022427
 H     -2.414526      2.255200      0.243979    0.00   0.000020605  -0.000022865   0.000002319
 H     -1.428431      3.042839     -0.991968    0.00   0.000025561  -0.000001174   0.000003860
 H      0.656108      2.087965     -0.059183    0.00   0.000009482   0.000020236  -0.000025333
 H     -0.229945      2.932599      1.221599    0.00  -0.000000115  -0.000008562  -0.000030542
 H     -2.626001     -0.291966      0.261412    0.00   0.000029646  -0.000008773   0.000006689
 H     -1.056229      0.795810      2.170794    0.00   0.000002456  -0.000029119  -0.000030368
 H      0.690832      0.664570      1.945813    0.00  -0.000006587   0.000007244  -0.000049600
 H     -0.725511      0.816700     -1.917752    0.00   0.000031705   0.000021165   0.000008358
 O     -0.537661     -1.595651      1.387786    0.00   0.000432194   0.000191252   0.000328907
 C     -1.897657     -1.625850     -1.276027    0.00   0.000433253   0.000154185   0.000166721
 H     -1.890621     -2.550033     -0.685012    0.00   0.000066610   0.000049828   0.000044869
 H     -2.840190     -1.598292     -1.834198    0.00   0.000053888   0.000007483  -0.000034549
 H     -1.083878     -1.717414     -2.013938    0.00   0.000002831  -0.000012957   0.000035358
 H     -1.094819     -2.322364      1.024401    0.00   0.000091474   0.000004133   0.000072541
 O      0.788211     -0.586346     -0.181273    0.00  -0.000323833   0.000206888   0.000326146
 O      0.798985     -1.822384     -0.873819    0.00  -0.000598032  -0.000188009   0.000437625
 C      1.362121     -2.789453     -0.006337    0.00  -0.000458068   0.000154427   0.000853711
 H      1.817528     -2.381355      0.894876    0.00  -0.000001394   0.000178545   0.000237849
 O      1.231671     -3.925885     -0.385108    0.00  -0.001062484  -0.000866782  -0.001972928
26
 Energy =      -0.202420352561
 C     -0.268866      2.049119      0.556173    0.00   0.000125721   0.000026203  -0.000265552
 C     -1.495517      2.132685     -0.362486    0.00   0.000294668  -0.000056684  -0.000006190
 C     -1.610479      0.891071     -1.256023    0.00   0.000390803   0.000067937   0.000130356
 C     -1.727387     -0.386262     -0.405396    0.00   0.000352233   0.000023741   0.000089099
 C     -0.492178     -0.468013      0.516651    0.00   0.000144446   0.000116960  -0.000020132
 C     -0.267183      0.768253      1.395898    0.00   0.000054658  -0.000028854  -0.000357110
 H     -2.484888      0.979490     -1.926268    0.00   0.000040831   0.000001702   0.000024528
 H     -2.414942      2.252584      0.242090    0.00   0.000024120  -0.000022782   0.000001994
 H     -1.427171      3.040473     -0.992381    0.00   0.000027529  -0.000000573   0.000003113
 H      0.656255      2.086660     -0.055914    0.00   0.000013307   0.000020037  -0.000026089
 H     -0.232352      2.931291      1.223134    0.00   0.000002436  -0.000008333  -0.000029420
 H     -2.624897     -0.294848      0.260061    0.00   0.000032149  -0.000010804   0.000007564
 H     -1.059914      0.793787      2.170860    0.00   0.000003015  -0.000029317  -0.000031247
 H      0.687740      0.663714      1.949953    0.00  -0.000005016   0.000007036  -0.000052075
 H     -0.722179      0.814555     -1.916961    0.00   0.000034147   0.000022659   0.000009203
 O     -0.534712     -1.597199      1.387127    0.00   0.000382789   0.000180521   0.000245064
 C     -1.894322     -1.628523     -1.276396    0.00   0.000461689   0.000147390   0.000188502
 H     -1.881532     -2.552885     -0.685594    0.00   0.000068328   0.000049383   0.000048690
 H     -2.838945     -1.604339     -1.831125    0.00   0.000057193   0.000008362  -0.000033363
 H     -1.082866     -1.716985     -2.017193    0.00   0.000003755  -0.000014304   0.000036404
 H     -1.084556     -2.327501      1.019006    0.00   0.000107710   0.000002294   0.000084220
 O      0.789563     -0.583475     -0.181597    0.00  -0.000313193   0.000256495   0.000289569
 O      0.798308     -1.818364     -0.876508    0.00  -0.000666102  -0.000252269   0.000471958
 C      1.366507     -2.784979     -0.011477    0.00  -0.000445210   0.000174054   0.001090919
 H      1.841721     -2.374734      0.878369    0.00   0.000011384   0.000201178   0.000296167
 O      1.217090     -3.922940     -0.378378    0.00  -0.001203387  -0.000882032  -0.002196172
26
 Energy =      -0.202256375944
 C     -0.269540      2.047570      0.557721    0.00   0.000157887   0.000028375  -0.000265943
 C     -1.494869      2.130414     -0.362828    0.00   0.000325164  -0.000052775  -0.000009750
 C     -1.608227      0.888739     -1.256526    0.00   0.000419232   0.000072472   0.000141394
 C     -1.725707     -0.388534     -0.405924    0.00   0.000380496   0.000015772   0.000099309
 C     -0.491285     -0.468922      0.517415    0.00   0.000162705   0.000115714  -0.000047824
 C     -0.268839      0.766894      1.397723    0.00   0.000074015  -0.000026642  -0.000370992
 H     -2.481760      0.976803     -1.927932    0.00   0.000043122   0.000002200   0.000026351
 H     -2.415211      2.249940      0.240436    0.00   0.000027797  -0.000022515   0.000001291
 H     -1.425993      3.038193     -0.992665    0.00   0.000029308  -0.000000046   0.000001981
 H      0.656486      2.085152     -0.052992    0.00   0.000017073   0.000019571  -0.000026573
 H     -0.234325      2.929951      1.224448    0.00   0.000005175  -0.000008023  -0.000028208
 H     -2.623888     -0.297659      0.258664    0.00   0.000034705  -0.000012720   0.000008417
 H     -1.063234      0.791900      2.170991    0.00   0.000004028  -0.000028938  -0.000031825
 H      0.684934      0.662737      1.953778    0.00  -0.000002966   0.000006755  -0.000053649
 H     -0.718978      0.812498     -1.916230    0.00   0.000036358   0.000023945   0.000009971
 O     -0.532594     -1.598510      1.386860    0.00   0.000324540   0.000162996   0.000145574
 C     -1.891198     -1.631064     -1.276893    0.00   0.000487616   0.000136742   0.000208801
 H     -1.873220     -2.555586     -0.686321    0.00   0.000069413   0.000047832   0.000051495
 H     -2.837690     -1.609914     -1.828503    0.00   0.000059731   0.000008815  -0.000031309
 H     -1.081869     -1.716704     -2.020295    0.00   0.000005253  -0.000015408   0.000037049
 H     -1.073997     -2.332821      1.013450    0.00   0.000123196   0.000001679   0.000095720
 O      0.790870     -0.580974     -0.181515    0.00  -0.000294037   0.000314876   0.000245406
 O      0.797468     -1.814445     -0.879296    0.00  -0.000733506  -0.000313732   0.000522344
 C      1.371695     -2.780575     -0.017320    0.00  -0.000422758   0.000183960   0.001342304
 H      1.867732     -2.368282      0.860028    0.00   0.000027095   0.000218484   0.000358924
 O      1.202918     -3.919846     -0.371390    0.00  -0.001360640  -0.000879389  -0.002430258
26
 Energy =      -0.202073792925
 C     -0.270045      2.045980      0.559112    0.00   0.000190791   0.000029885  -0.000265264
 C     -1.494205      2.128184     -0.363104    0.00   0.000355006  -0.000048886  -0.000015422
 C     -1.606068      0.886502     -1.257018    0.00   0.000446151   0.000076159   0.000150541
 C     -1.724113     -0.390741     -0.406494    0.00   0.000408711   0.000007356   0.000109274
 C     -0.490556     -0.469921      0.518222    0.00   0.000183783   0.000112396  -0.000075616
 C     -0.270306      0.765524      1.399425    0.00   0.000096713  -0.000024107  -0.000380260
 H     -2.478775      0.974280     -1.929508    0.00   0.000045212   0.000002651   0.000027848
 H     -2.415362      2.247279      0.239013    0.00   0.000031509  -0.000022095   0.000000306
 H     -1.424918      3.035998     -0.992826    0.00   0.000030919   0.000000420   0.000000565
 H      0.656777      2.083502     -0.050397    0.00   0.000020703   0.000018906  -0.000026824
 H     -0.235924      2.928583      1.225573    0.00   0.000008047  -0.000007651  -0.000027021
 H     -2.622957     -0.300390      0.257248    0.00   0.000037261  -0.000014459   0.000009223
 H     -1.066180      0.790121      2.171181    0.00   0.000005492  -0.000028065  -0.000032130
 H      0.682432      0.661658      1.957265    0.00  -0.000000487   0.000006414  -0.000054379
 H     -0.715930      0.810539     -1.915560    0.00   0.000038336   0.000025015   0.000010641
 O     -0.531236     -1.599613      1.386944    0.00   0.000260680   0.000139228   0.000034141
 C     -1.888297     -1.633476     -1.277498    0.00   0.000510564   0.000122620   0.000226985
 H     -1.865721     -2.558142     -0.687162    0.00   0.000069956   0.000045307   0.000053249
 H     -2.836437     -1.615001     -1.826325    0.00   0.000061443   0.000008808  -0.000028578
 H     -1.080889     -1.716587     -2.023216    0.00   0.000007234  -0.000016291   0.000037358
 H     -1.063308     -2.338222      1.007890    0.00   0.000137517   0.000002501   0.000106578
 O      0.792155     -0.578827     -0.181057    0.00  -0.000266643   0.000380227   0.000194947
 O      0.796567     -1.810609     -0.882196    0.00  -0.000798989  -0.000371187   0.000589886
 C      1.377511     -2.776284     -0.023785    0.00  -0.000392876   0.000182545   0.001600195
 H      1.895043     -2.362133      0.840061    0.00   0.000045142   0.000229901   0.000424142
 O      1.189177     -3.916599     -0.364159    0.00  -0.001532172  -0.000857596  -0.002670383
26
 Energy =      -0.201871715742
 C     -0.270409      2.044363      0.560359    0.00   0.000223871   0.000030782  -0.000263871
 C     -1.493541      2.125998     -0.363315    0.00   0.000383715  -0.000045039  -0.000022689
 C     -1.604007      0.884355     -1.257490    0.00   0.000471304   0.000079113   0.000157690
 C     -1.722600     -0.392887     -0.407095    0.00   0.000436479  -0.000001188   0.000118697
 C     -0.489962     -0.471009      0.519047    0.00   0.000207577   0.000107209  -0.000102824
 C     -0.271587      0.764143      1.400998    0.00   0.000122345  -0.000021531  -0.000385259
 H     -2.475939      0.971908     -1.930989    0.00   0.000047098   0.000003057   0.000029008
 H     -2.415421      2.244616      0.237801    0.00   0.000035149  -0.000021552  -0.000000879
 H     -1.423949      3.033889     -0.992875    0.00   0.000032380   0.000000840  -0.000001030
 H      0.657110      2.081756     -0.048096    0.00   0.000024132   0.000018099  -0.000026885
 H     -0.237209      2.927190      1.226546    0.00   0.000011012  -0.000007237  -0.000025923
 H     -2.622088     -0.303041      0.255839    0.00   0.000039772  -0.000015971   0.000009952
 H     -1.068758      0.788422      2.171424    0.00   0.000007376  -0.000026815  -0.000032200
 H      0.680230      0.660490      1.960413    0.00   0.000002356   0.000006019  -0.000054353
 H     -0.713041      0.808677     -1.914946    0.00   0.000040082   0.000025867   0.000011199
 O     -0.530551     -1.600545      1.387326    0.00   0.000194108   0.000110252  -0.000085541
 C     -1.885622     -1.635764     -1.278190    0.00   0.000530273   0.000105545   0.000242713
 H     -1.859021     -2.560562     -0.688093    0.00   0.000070032   0.000041950   0.000054026
 H     -2.835200     -1.619613     -1.824561    0.00   0.000062347   0.000008371  -0.000025344
 H     -1.079925     -1.716638     -2.025944    0.00   0.000009583  -0.000016985   0.000037373
 H     -1.052614     -2.343625      1.002442    0.00   0.000150496   0.000004717   0.000116435
 O      0.793431     -0.577014     -0.180258    0.00  -0.000231434   0.000450697   0.000139415
 O      0.795685     -1.806834     -0.885225    0.00  -0.000861759  -0.000424194   0.000674433
 C      1.383788     -2.772134     -0.030787    0.00  -0.000357733   0.000169122   0.001857906
 H      1.923199     -2.356379      0.818673    0.00   0.000064887   0.000235420   0.000489962
 O      1.175870     -3.913191     -0.356697    0.00  -0.001715447  -0.000816548  -0.002912012
26
 Energy =      -0.201649657719
 C     -0.270656      2.042726      0.561482    0.00   0.000256636   0.000031096  -0.000262012
 C     -1.492886      2.123859     -0.363468    0.00   0.000410884  -0.000041267  -0.000031055
 C     -1.602044      0.882294     -1.257940    0.00   0.000494500   0.000081453   0.000162884
 C     -1.721162     -0.394975     -0.407717    0.00   0.000463457  -0.000009583   0.000127391
 C     -0.489478     -0.472181      0.519877    0.00   0.000233872   0.000100400  -0.000128992
 C     -0.272692      0.762749      1.402444    0.00   0.000150405  -0.000019179  -0.000386443
 H     -2.473255      0.969668     -1.932375    0.00   0.000048773   0.000003421   0.000029841
 H     -2.415406      2.241960      0.236777    0.00   0.000038635  -0.000020913  -0.000002184
 H     -1.423079      3.031859     -0.992828    0.00   0.000033705   0.000001224  -0.000002719
 H      0.657470      2.079952     -0.046056    0.00   0.000027317   0.000017196  -0.000026793
 H     -0.238234      2.925771      1.227395    0.00   0.000014027  -0.000006797  -0.000024954
 H     -2.621267     -0.305613      0.254454    0.00   0.000042199  -0.000017230   0.000010589
 H     -1.070992      0.786777      2.171711    0.00   0.000009632  -0.000025288  -0.000032066
 H      0.678314      0.659246      1.963239    0.00   0.000005483   0.000005573  -0.000053671
 H     -0.710312      0.806907     -1.914384    0.00   0.000041599   0.000026511   0.000011647
 O     -0.530454     -1.601337      1.387962    0.00   0.000127195   0.000077225  -0.000210203
 C     -1.883164     -1.637938     -1.278953    0.00   0.000546640   0.000086082   0.000255869
 H     -1.853076     -2.562861     -0.689095    0.00   0.000069694   0.000037908   0.000053940
 H     -2.833991     -1.623776     -1.823173    0.00   0.000062500   0.000007568  -0.000021754
 H     -1.078979     -1.716846     -2.028482    0.00   0.000012191  -0.000017521   0.000037125
 H     -1.042001     -2.348977      0.997199    0.00   0.000162108   0.000008161   0.000125072
 O      0.794713     -0.575508     -0.179153    0.00  -0.000188819   0.000524620   0.000079731
 O      0.794879     -1.803100     -0.888397    0.00  -0.000921350  -0.000472813   0.000774982
 C      1.390387     -2.768142     -0.038249    0.00  -0.000319143   0.000143724   0.002110104
 H      1.951826     -2.351085      0.796052    0.00   0.000085761   0.000235362   0.000554845
 O      1.162984     -3.909612     -0.349015    0.00  -0.001907901  -0.000756933  -0.003151175
26
 Energy =      -0.201407477541
 C     -0.270808      2.041077      0.562499    0.00   0.000288643   0.000030839  -0.000259835
 C     -1.492244      2.121767     -0.363569    0.00   0.000436184  -0.000037614  -0.000040088
 C     -1.600177      0.880310     -1.258366    0.00   0.000515579   0.000083284   0.000166249
 C     -1.719789     -0.397012     -0.408354    0.00   0.000489324  -0.000017595   0.000135232
 C     -0.489084     -0.473434      0.520701    0.00   0.000262281   0.000092238  -0.000153816
 C     -0.273636      0.761339      1.403770    0.00   0.000180384  -0.000017284  -0.000384279
 H     -2.470717      0.967546     -1.933666    0.00   0.000050242   0.000003747   0.000030360
 H     -2.415335      2.239324      0.235919    0.00   0.000041899  -0.000020210  -0.000003538
 H     -1.422300      3.029901     -0.992698    0.00   0.000034902   0.000001578  -0.000004432
 H      0.657846      2.078114     -0.044241    0.00   0.000030247   0.000016229  -0.000026576
 H     -0.239046      2.924329      1.228147    0.00   0.000017045  -0.000006343  -0.000024141
 H     -2.620481     -0.308109      0.253105    0.00   0.000044509  -0.000018230   0.000011134
 H     -1.072910      0.785166      2.172033    0.00   0.000012199  -0.000023578  -0.000031751
 H      0.676662      0.657935      1.965763    0.00   0.000008808   0.000005077  -0.000052447
 H     -0.707735      0.805221     -1.913868    0.00   0.000042896   0.000026964   0.000011984
 O     -0.530859     -1.602020      1.388810    0.00   0.000061727   0.000041218  -0.000337112
 C     -1.880912     -1.640007     -1.279771    0.00   0.000559680   0.000064785   0.000266499
 H     -1.847833     -2.565052     -0.690151    0.00   0.000068983   0.000033327   0.000053116
 H     -2.832816     -1.627523     -1.822120    0.00   0.000061975   0.000006470  -0.000017932
 H     -1.078053     -1.717201     -2.030839    0.00   0.000014952  -0.000017923   0.000036644
 H     -1.031522     -2.354248      0.992216    0.00   0.000172417   0.000012642   0.000132387
 O      0.796008     -0.574286     -0.177777    0.00  -0.000139109   0.000600608   0.000016446
 O      0.794187     -1.799393     -0.891718    0.00  -0.000977475  -0.000517428   0.000890000
 C      1.397190     -2.764316     -0.046102    0.00  -0.000278406   0.000106899   0.002352787
 H      1.980624     -2.346296      0.772364    0.00   0.000107294   0.000230226   0.000617620
 O      1.150497     -3.905851     -0.341119    0.00  -0.002107178  -0.000679925  -0.003384513
26
 Energy =      -0.201145311056
 C     -0.270882      2.039420      0.563421    0.00   0.000319533   0.000030020  -0.000257447
 C     -1.491621      2.119720     -0.363623    0.00   0.000459336  -0.000034125  -0.000049419
 C     -1.598402      0.878396     -1.258767    0.00   0.000534420   0.000084685   0.000167950
 C     -1.718475     -0.399000     -0.408999    0.00   0.000513786  -0.000025097   0.000142197
 C     -0.488760     -0.474764      0.521510    0.00   0.000292465   0.000082944  -0.000177157
 C     -0.274432      0.759912      1.404981    0.00   0.000211683  -0.000015978  -0.000379218
 H     -2.468319      0.965526     -1.934866    0.00   0.000051505   0.000004038   0.000030594
 H     -2.415219      2.236716      0.235203    0.00   0.000044895  -0.000019462  -0.000004894
 H     -1.421601      3.028010     -0.992498    0.00   0.000035971   0.000001910  -0.000006111
 H      0.658234      2.076263     -0.042622    0.00   0.000032899   0.000015219  -0.000026261
 H     -0.239683      2.922862      1.228824    0.00   0.000020036  -0.000005889  -0.000023482
 H     -2.619721     -0.310536      0.251800    0.00   0.000046673  -0.000018977   0.000011585
 H     -1.074545      0.783574      2.172382    0.00   0.000015011  -0.000021765  -0.000031282
 H      0.675250      0.656568      1.968009    0.00   0.000012257   0.000004535  -0.000050770
 H     -0.705301      0.803613     -1.913394    0.00   0.000043973   0.000027237   0.000012220
 O     -0.531697     -1.602621      1.389836    0.00  -0.000001059   0.000003174  -0.000464096
 C     -1.878852     -1.641980     -1.280632    0.00   0.000569465   0.000042189   0.000274720
 H     -1.843230     -2.567145     -0.691250    0.00   0.000067933   0.000028335   0.000051678
 H     -2.831680     -1.630890     -1.821362    0.00   0.000060858   0.000005148  -0.000013970
 H     -1.077150     -1.717689     -2.033025    0.00   0.000017787  -0.000018205   0.000035953
 H     -1.021211     -2.359418      0.987536    0.00   0.000181513   0.000017947   0.000138364
 O      0.797320     -0.573331     -0.176160    0.00  -0.000082647   0.000677440  -0.000049958
 O      0.793636     -1.795695     -0.895196    0.00  -0.001030004  -0.000558405   0.001017423
 C      1.404107     -2.760662     -0.054291    0.00  -0.000236364   0.000059531   0.002583198
 H      2.009366     -2.342038      0.747742    0.00   0.000129165   0.000220576   0.000677454
 O      1.138388     -3.901898     -0.333019    0.00  -0.002311089  -0.000587026  -0.003609271
26
 Energy =      -0.200863508218
 C     -0.270892      2.037761      0.564262    0.00   0.000348984   0.000028644  -0.000254893
 C     -1.491018      2.117718     -0.363638    0.00   0.000480126  -0.000030840  -0.000058745
 C     -1.596712      0.876547     -1.259142    0.00   0.000550917   0.000085703   0.000168170
 C     -1.717214     -0.400944     -0.409645    0.00   0.000536579  -0.000031990   0.000148277
 C     -0.488493     -0.476168      0.522299    0.00   0.000323973   0.000072725  -0.000198945
 C     -0.275096      0.758468      1.406083    0.00   0.000243755  -0.000015381  -0.000371683
 H     -2.466051      0.963597     -1.935981    0.00   0.000052563   0.000004294   0.000030569
 H     -2.415067      2.234141      0.234611    0.00   0.000047589  -0.000018687  -0.000006210
 H     -1.420972      3.026179     -0.992241    0.00   0.000036911   0.000002220  -0.000007718
 H      0.658625      2.074412     -0.041173    0.00   0.000035271   0.000014185  -0.000025865
 H     -0.240177      2.921373      1.229443    0.00   0.000022963  -0.000005442  -0.000022973
 H     -2.618980     -0.312893      0.250545    0.00   0.000048664  -0.000019482   0.000011947
 H     -1.075923      0.781990      2.172751    0.00   0.000018002  -0.000019910  -0.000030679
 H      0.674056      0.655151      1.970004    0.00   0.000015757   0.000003947  -0.000048731
 H     -0.703002      0.802076     -1.912957    0.00   0.000044837   0.000027346   0.000012363
 O     -0.532902     -1.603159      1.391010    0.00  -0.000060349  -0.000036149  -0.000589434
 C     -1.876968     -1.643865     -1.281528    0.00   0.000576122   0.000018780   0.000280702
 H     -1.839209     -2.569151     -0.692381    0.00   0.000066575   0.000023055   0.000049736
 H     -2.830589     -1.633908     -1.820864    0.00   0.000059232   0.000003664  -0.000009940
 H     -1.076270     -1.718293     -2.035054    0.00   0.000020626  -0.000018376   0.000035077
 H     -1.011084     -2.364475      0.983178    0.00   0.000189496   0.000023890   0.000143043
 O      0.798651     -0.572624     -0.174327    0.00  -0.000019745   0.000754118  -0.000119188
 O      0.793240     -1.791999     -0.898833    0.00  -0.001078851  -0.000596089   0.001155056
 C      1.411065     -2.757181     -0.062768    0.00  -0.000193485   0.000002682   0.002799456
 H      2.037876     -2.338331      0.722305    0.00   0.000151152   0.000206987   0.000733795
 O      1.126634     -3.897745     -0.324722    0.00  -0.002517662  -0.000479895  -0.003823186
26
 Energy =      -0.200562580707
 C     -0.270852      2.036100      0.565033    0.00   0.000376724   0.000026727  -0.000252191
 C     -1.490435      2.115763     -0.363619    0.00   0.000498391  -0.000027801  -0.000067828
 C     -1.595103      0.874759     -1.259493    0.00   0.000564985   0.000086371   0.000167097
 C     -1.715999     -0.402847     -0.410290    0.00   0.000557462  -0.000038237   0.000153485
 C     -0.488271     -0.477641      0.523065    0.00   0.000356346   0.000061769  -0.000219176
 C     -0.275640      0.757004      1.407085    0.00   0.000276063  -0.000015566  -0.000362058
 H     -2.463906      0.961749     -1.937014    0.00   0.000053416   0.000004514   0.000030313
 H     -2.414890      2.231608      0.234124    0.00   0.000049956  -0.000017902  -0.000007455
 H     -1.420403      3.024406     -0.991936    0.00   0.000037719   0.000002510  -0.000009223
 H      0.659016      2.072572     -0.039873    0.00   0.000037363   0.000013136  -0.000025402
 H     -0.240555      2.919863      1.230016    0.00   0.000025795  -0.000005009  -0.000022601
 H     -2.618253     -0.315187      0.249341    0.00   0.000050463  -0.000019766   0.000012225
 H     -1.077074      0.780404      2.173131    0.00   0.000021109  -0.000018066  -0.000029962
 H      0.673057      0.653692      1.971767    0.00   0.000019245   0.000003317  -0.000046408
 H     -0.700829      0.800606     -1.912552    0.00   0.000045488   0.000027305   0.000012424
 O     -0.534421     -1.603654      1.392308    0.00  -0.000115663  -0.000076151  -0.000711754
 C     -1.875248     -1.645669     -1.282450    0.00   0.000579802  -0.000004988   0.000284631
 H     -1.835716     -2.571077     -0.693537    0.00   0.000064938   0.000017593   0.000047385
 H     -2.829542     -1.636608     -1.820595    0.00   0.000057178   0.000002072  -0.000005901
 H     -1.075413     -1.719002     -2.036935    0.00   0.000023419  -0.000018435   0.000034037
 H     -1.001148     -2.369418      0.979151    0.00   0.000196450   0.000030311   0.000146491
 O      0.800005     -0.572155     -0.172297    0.00   0.000049242   0.000829763  -0.000190990
 O      0.793006     -1.788295     -0.902629    0.00  -0.001123968  -0.000630696   0.001300607
 C      1.418012     -2.753873     -0.071492    0.00  -0.000149956  -0.000062510   0.003000352
 H      2.066027     -2.335188      0.696148    0.00   0.000173124   0.000190008   0.000786306
 O      1.115219     -3.893389     -0.316238    0.00  -0.002725092  -0.000360270  -0.004024404
26
 Energy =      -0.200243170199
 C     -0.270771      2.034442      0.565741    0.00   0.000402523   0.000024287  -0.000249343
 C     -1.489872      2.113852     -0.363571    0.00   0.000514014  -0.000025033  -0.000076476
 C     -1.593569      0.873028     -1.259818    0.00   0.000576559   0.000086700   0.000164897
 C     -1.714828     -0.404710     -0.410930    0.00   0.000576226  -0.000043827   0.000157841
 C     -0.488086     -0.479180      0.523807    0.00   0.000389116   0.000050226  -0.000237862
 C     -0.276078      0.755524      1.407992    0.00   0.000308103  -0.000016566  -0.000350701
 H     -2.461876      0.959973     -1.937972    0.00   0.000054064   0.000004700   0.000029853
 H     -2.414692      2.229121      0.233726    0.00   0.000051983  -0.000017119  -0.000008608
 H     -1.419886      3.022687     -0.991594    0.00   0.000038391   0.000002780  -0.000010604
 H      0.659404      2.070750     -0.038702    0.00   0.000039178   0.000012083  -0.000024886
 H     -0.240836      2.918333      1.230554    0.00   0.000028505  -0.000004596  -0.000022349
 H     -2.617536     -0.317417      0.248190    0.00   0.000052052  -0.000019852   0.000012426
 H     -1.078021      0.778810      2.173518    0.00   0.000024268  -0.000016273  -0.000029148
 H      0.672234      0.652199      1.973321    0.00   0.000022666   0.000002647  -0.000043871
 H     -0.698772      0.799195     -1.912177    0.00   0.000045935   0.000027126   0.000012411
 O     -0.536212     -1.604118      1.393708    0.00  -0.000166747  -0.000116336  -0.000829950
 C     -1.873679     -1.647397     -1.283391    0.00   0.000580681  -0.000028717   0.000286696
 H     -1.832702     -2.572930     -0.694710    0.00   0.000063046   0.000012045   0.000044707
 H     -2.828541     -1.639020     -1.820526    0.00   0.000054774   0.000000419  -0.000001896
 H     -1.074580     -1.719803     -2.038682    0.00   0.000026127  -0.000018381   0.000032855
 H     -0.991407     -2.374248      0.975461    0.00   0.000202445   0.000037063   0.000148794
 O      0.801379     -0.571914     -0.170089    0.00   0.000123874   0.000903590  -0.000265094
 O      0.792938     -1.784579     -0.906583    0.00  -0.001165325  -0.000662304   0.001451780
 C      1.424903     -2.750741     -0.080428    0.00  -0.000105803  -0.000134878   0.003185142
 H      2.093726     -2.332619      0.669354    0.00   0.000195011   0.000170154   0.000834798
 O      1.104124     -3.888823     -0.307578    0.00  -0.002931666  -0.000229938  -0.004211412
26
 Energy =      -0.199906017889
 C     -0.270655      2.032788      0.566392    0.00   0.000426196   0.000021359  -0.000246349
 C     -1.489331      2.111988     -0.363500    0.00   0.000526908  -0.000022567  -0.000084546
 C     -1.592107      0.871349     -1.260121    0.00   0.000585611   0.000086695   0.000161722
 C     -1.713695     -0.406535     -0.411564    0.00   0.000592680  -0.000048767   0.000161368
 C     -0.487932     -0.480779      0.524522    0.00   0.000421816   0.000038232  -0.000255056
 C     -0.276420      0.754028      1.408811    0.00   0.000339392  -0.000018382  -0.000337938
 H     -2.459954      0.958264     -1.938857    0.00   0.000054508   0.000004849   0.000029216
 H     -2.414479      2.226686      0.233405    0.00   0.000053663  -0.000016343  -0.000009658
 H     -1.419413      3.021021     -0.991222    0.00   0.000038923   0.000003030  -0.000011841
 H      0.659786      2.068952     -0.037646    0.00   0.000040718   0.000011029  -0.000024327
 H     -0.241038      2.916785      1.231066    0.00   0.000031072  -0.000004207  -0.000022196
 H     -2.616828     -0.319588      0.247093    0.00   0.000053415  -0.000019765   0.000012559
 H     -1.078788      0.777207      2.173908    0.00   0.000027420  -0.000014565  -0.000028255
 H      0.671567      0.650677      1.974684    0.00   0.000025971   0.000001944  -0.000041180
 H     -0.696826      0.797842     -1.911829    0.00   0.000046181   0.000026816   0.000012329
 O     -0.538234     -1.604561      1.395194    0.00  -0.000213511  -0.000156309  -0.000943092
 C     -1.872248     -1.649055     -1.284346    0.00   0.000578960  -0.000052054   0.000287084
 H     -1.830123     -2.574714     -0.695894    0.00   0.000060930   0.000006501   0.000041768
 H     -2.827583     -1.641167     -1.820636    0.00   0.000052089  -0.000001259   0.000002042
 H     -1.073769     -1.720683     -2.040303    0.00   0.000028718  -0.000018202   0.000031555
 H     -0.981858     -2.378963      0.972101    0.00   0.000207532   0.000044017   0.000150034
 O      0.802773     -0.571892     -0.167718    0.00   0.000203633   0.000974859  -0.000341194
 O      0.793034     -1.780847     -0.910689    0.00  -0.001202916  -0.000690828   0.001606355
 C      1.431709     -2.747785     -0.089546    0.00  -0.000060950  -0.000213286   0.003353380
 H      2.120904     -2.330633      0.641990    0.00   0.000216795   0.000147886   0.000879196
 O      1.093336     -3.884046     -0.298752    0.00  -0.003135752  -0.000090682  -0.004382978
26
 Energy =      -0.199551949982
 C     -0.270514      2.031142      0.566994    0.00   0.000447572   0.000017977  -0.000243187
 C     -1.488810      2.110169     -0.363407    0.00   0.000537057  -0.000020414  -0.000091929
 C     -1.590711      0.869722     -1.260402    0.00   0.000592107   0.000086352   0.000157715
 C     -1.712598     -0.408322     -0.412188    0.00   0.000606684  -0.000053115   0.000164082
 C     -0.487801     -0.482437      0.525210    0.00   0.000453968   0.000025916  -0.000270801
 C     -0.276679      0.752516      1.409546    0.00   0.000369520  -0.000021018  -0.000324079
 H     -2.458133      0.956615     -1.939677    0.00   0.000054747   0.000004964   0.000028426
 H     -2.414255      2.224305      0.233149    0.00   0.000054992  -0.000015587  -0.000010589
 H     -1.418978      3.019404     -0.990825    0.00   0.000039313   0.000003256  -0.000012936
 H      0.660160      2.067182     -0.036690    0.00   0.000041997   0.000009983  -0.000023729
 H     -0.241174      2.915224      1.231557    0.00   0.000033468  -0.000003844  -0.000022129
 H     -2.616126     -0.321698      0.246048    0.00   0.000054543  -0.000019532   0.000012623
 H     -1.079395      0.775592      2.174294    0.00   0.000030517  -0.000012962  -0.000027296
 H      0.671039      0.649133      1.975875    0.00   0.000029117   0.000001207  -0.000038394
 H     -0.694982      0.796541     -1.911506    0.00   0.000046231   0.000026389   0.000012190
 O     -0.540455     -1.604995      1.396752    0.00  -0.000255967  -0.000195714  -0.001050407
 C     -1.870944     -1.650645     -1.285310    0.00   0.000574816  -0.000074658   0.000285961
 H     -1.827939     -2.576433     -0.697083    0.00   0.000058612   0.000001030   0.000038637
 H     -2.826669     -1.643072     -1.820903    0.00   0.000049196  -0.000002926   0.000005888
 H     -1.072980     -1.721632     -2.041804    0.00   0.000031175  -0.000017900   0.000030149
 H     -0.972499     -2.383568      0.969069    0.00   0.000211750   0.000051056   0.000150299
 O      0.804187     -0.572082     -0.165196    0.00   0.000287913   0.001042914  -0.000418933
 O      0.793293     -1.777097     -0.914942    0.00  -0.001236724  -0.000716087   0.001762226
 C      1.438405     -2.745005     -0.098824    0.00  -0.000015281  -0.000296665   0.003504814
 H      2.147518     -2.329238      0.614112    0.00   0.000238468   0.000123633   0.000919488
 O      1.082841     -3.879057     -0.289773    0.00  -0.003335791   0.000055745  -0.004538089
26
 Energy =      -0.199181867703
 C     -0.270354      2.029505      0.567551    0.00   0.000466540   0.000014185  -0.000239854
 C     -1.488309      2.108397     -0.363299    0.00   0.000544439  -0.000018583  -0.000098558
 C     -1.589378      0.868144     -1.260662    0.00   0.000596069   0.000085665   0.000152990
 C     -1.711536     -0.410072     -0.412803    0.00   0.000618103  -0.000056907   0.000165977
 C     -0.487692     -0.484145      0.525871    0.00   0.000485128   0.000013367  -0.000285108
 C     -0.276863      0.750994      1.410206    0.00   0.000398082  -0.000024421  -0.000309402
 H     -2.456409      0.955022     -1.940433    0.00   0.000054786   0.000005039   0.000027508
 H     -2.414024      2.221983      0.232948    0.00   0.000055976  -0.000014855  -0.000011400
 H     -1.418577      3.017835     -0.990412    0.00   0.000039558   0.000003460  -0.000013873
 H      0.660524      2.065444     -0.035824    0.00   0.000043022   0.000008951  -0.000023107
 H     -0.241255      2.913650      1.232032    0.00   0.000035681  -0.000003511  -0.000022121
 H     -2.615428     -0.323751      0.245055    0.00   0.000055428  -0.000019178   0.000012625
 H     -1.079861      0.773965      2.174673    0.00   0.000033503  -0.000011490  -0.000026288
 H      0.670633      0.647570      1.976906    0.00   0.000032071   0.000000446  -0.000035560
 H     -0.693236      0.795292     -1.911206    0.00   0.000046093   0.000025856   0.000011994
 O     -0.542848     -1.605422      1.398367    0.00  -0.000294189  -0.000234253  -0.001151222
 C     -1.869758     -1.652173     -1.286279    0.00   0.000568470  -0.000096270   0.000283495
 H     -1.826112     -2.578090     -0.698273    0.00   0.000056118  -0.000004299   0.000035358
 H     -2.825795     -1.644756     -1.821308    0.00   0.000046152  -0.000004558   0.000009621
 H     -1.072209     -1.722641     -2.043195    0.00   0.000033478  -0.000017454   0.000028662
 H     -0.963326     -2.388064      0.966352    0.00   0.000215128   0.000058081   0.000149679
 O      0.805617     -0.572481     -0.162534    0.00   0.000375985   0.001107150  -0.000497924
 O      0.793710     -1.773327     -0.919333    0.00  -0.001266707  -0.000737820   0.001917416
 C      1.444974     -2.742403     -0.108237    0.00   0.000031327  -0.000383988   0.003639316
 H      2.173535     -2.328443      0.585766    0.00   0.000260031   0.000097765   0.000955706
 O      1.072630     -3.873856     -0.280652    0.00  -0.003530272   0.000207620  -0.004675931
26
 Energy =      -0.198796741374
 C     -0.270176      2.027880      0.568067    0.00   0.000482999   0.000010037  -0.000236343
 C     -1.487829      2.106671     -0.363178    0.00   0.000549093  -0.000017081  -0.000104371
 C     -1.588107      0.866614     -1.260903    0.00   0.000597515   0.000084625   0.000147644
 C     -1.710507     -0.411786     -0.413406    0.00   0.000626851  -0.000060215   0.000167068
 C     -0.487600     -0.485901      0.526506    0.00   0.000514872   0.000000720  -0.000298077
 C     -0.276981      0.749461      1.410791    0.00   0.000424730  -0.000028546  -0.000294177
 H     -2.454775      0.953484     -1.941134    0.00   0.000054626   0.000005082   0.000026481
 H     -2.413790      2.219721      0.232793    0.00   0.000056618  -0.000014147  -0.000012088
 H     -1.418204      3.016312     -0.989987    0.00   0.000039659   0.000003642  -0.000014656
 H      0.660877      2.063739     -0.035039    0.00   0.000043802   0.000007935  -0.000022463
 H     -0.241293      2.912066      1.232494    0.00   0.000037694  -0.000003207  -0.000022153
 H     -2.614738     -0.325746      0.244111    0.00   0.000056064  -0.000018729   0.000012566
 H     -1.080203      0.772325      2.175042    0.00   0.000036337  -0.000010154  -0.000025245
 H      0.670337      0.645995      1.977795    0.00   0.000034804  -0.000000336  -0.000032720
 H     -0.691580      0.794090     -1.910928    0.00   0.000045777   0.000025222   0.000011748
 O     -0.545389     -1.605850      1.400029    0.00  -0.000328285  -0.000271644  -0.001244926
 C     -1.868680     -1.653640     -1.287248    0.00   0.000560118  -0.000116630   0.000279839
 H     -1.824612     -2.579687     -0.699460    0.00   0.000053472  -0.000009433   0.000031981
 H     -2.824959     -1.646239     -1.821837    0.00   0.000043014  -0.000006131   0.000013227
 H     -1.071454     -1.723702     -2.044480    0.00   0.000035620  -0.000016866   0.000027105
 H     -0.954338     -2.392454      0.963942    0.00   0.000217679   0.000064994   0.000148246
 O      0.807062     -0.573082     -0.159744    0.00   0.000467018   0.001166885  -0.000577618
 O      0.794282     -1.769538     -0.923853    0.00  -0.001292907  -0.000755573   0.002070057
 C      1.451402     -2.739981     -0.117769    0.00   0.000078987  -0.000474298   0.003756862
 H      2.198939     -2.328257      0.556990    0.00   0.000281513   0.000070607   0.000987912
 O      1.062695     -3.868446     -0.271401    0.00  -0.003717667   0.000363243  -0.004795899
26
 Energy =      -0.198397606951
 C     -0.269989      2.026269      0.568545    0.00   0.000496882   0.000005590  -0.000232635
 C     -1.487369      2.104992     -0.363046    0.00   0.000551067  -0.000015895  -0.000109360
 C     -1.586892      0.865131     -1.261125    0.00   0.000596492   0.000083222   0.000141781
 C     -1.709509     -0.413462     -0.413997    0.00   0.000632874  -0.000063064   0.000167337
 C     -0.487526     -0.487700      0.527115    0.00   0.000542765  -0.000011971  -0.000309740
 C     -0.277042      0.747920      1.411308    0.00   0.000449173  -0.000033343  -0.000278645
 H     -2.453226      0.951995     -1.941778    0.00   0.000054268   0.000005083   0.000025363
 H     -2.413553      2.217522      0.232678    0.00   0.000056928  -0.000013470  -0.000012646
 H     -1.417855      3.014836     -0.989553    0.00   0.000039618   0.000003796  -0.000015287
 H      0.661218      2.062068     -0.034325    0.00   0.000044351   0.000006937  -0.000021803
 H     -0.241295      2.910476      1.232945    0.00   0.000039489  -0.000002932  -0.000022215
 H     -2.614054     -0.327685      0.243215    0.00   0.000056449  -0.000018211   0.000012454
 H     -1.080435      0.770675      2.175399    0.00   0.000038980  -0.000008963  -0.000024178
 H      0.670137      0.644411      1.978553    0.00   0.000037286  -0.000001135  -0.000029918
 H     -0.690012      0.792936     -1.910669    0.00   0.000045293   0.000024503   0.000011457
 O     -0.548058     -1.606281      1.401728    0.00  -0.000358399  -0.000307620  -0.001331012
 C     -1.867700     -1.655050     -1.288215    0.00   0.000549973  -0.000135554   0.000275136
 H     -1.823409     -2.581227     -0.700637    0.00   0.000050699  -0.000014318   0.000028540
 H     -2.824159     -1.647538     -1.822477    0.00   0.000039830  -0.000007630   0.000016692
 H     -1.070714     -1.724806     -2.045665    0.00   0.000037588  -0.000016119   0.000025500
 H     -0.945529     -2.396742      0.961826    0.00   0.000219429   0.000071711   0.000146084
 O      0.808517     -0.573882     -0.156834    0.00   0.000560104   0.001221601  -0.000657490
 O      0.795002     -1.765729     -0.928494    0.00  -0.001315285  -0.000768946   0.002218455
 C      1.457681     -2.737742     -0.127404    0.00   0.000127762  -0.000566711   0.003857465
 H      2.223718     -2.328690      0.527811    0.00   0.000302908   0.000042453   0.001016169
 O      1.053026     -3.862830     -0.262032    0.00  -0.003896522   0.000520985  -0.004897507
26
 Energy =      -0.197985563784
 C     -0.269793      2.024674      0.568989    0.00   0.000508139   0.000000905  -0.000228736
 C     -1.486930      2.103362     -0.362907    0.00   0.000550437  -0.000015028  -0.000113491
 C     -1.585733      0.863694     -1.261330    0.00   0.000593070   0.000081461   0.000135470
 C     -1.708543     -0.415100     -0.414577    0.00   0.000636123  -0.000065557   0.000166780
 C     -0.487466     -0.489537      0.527701    0.00   0.000568456  -0.000024601  -0.000320139
 C     -0.277054      0.746374      1.411762    0.00   0.000471115  -0.000038719  -0.000263035
 H     -2.451759      0.950556     -1.942374    0.00   0.000053720   0.000005049   0.000024174
 H     -2.413318      2.215388      0.232596    0.00   0.000056922  -0.000012820  -0.000013087
 H     -1.417529      3.013405     -0.989115    0.00   0.000039435   0.000003923  -0.000015769
 H      0.661546      2.060434     -0.033676    0.00   0.000044680   0.000005966  -0.000021137
 H     -0.241267      2.908883      1.233388    0.00   0.000041062  -0.000002689  -0.000022283
 H     -2.613379     -0.329567      0.242363    0.00   0.000056583  -0.000017646   0.000012286
 H     -1.080573      0.769017      2.175740    0.00   0.000041394  -0.000007925  -0.000023103
 H      0.670019      0.642823      1.979192    0.00   0.000039505  -0.000001945  -0.000027186
 H     -0.688526      0.791824     -1.910429    0.00   0.000044651   0.000023702   0.000011121
 O     -0.550836     -1.606719      1.403455    0.00  -0.000384671  -0.000341918  -0.001409027
 C     -1.866810     -1.656404     -1.289176    0.00   0.000538222  -0.000152854   0.000269520
 H     -1.822476     -2.582711     -0.701803    0.00   0.000047819  -0.000018921   0.000025072
 H     -2.823388     -1.648666     -1.823216    0.00   0.000036650  -0.000009039   0.000020014
 H     -1.069985     -1.725947     -2.046753    0.00   0.000039383  -0.000015211   0.000023856
 H     -0.936896     -2.400927      0.959991    0.00   0.000220387   0.000078150   0.000143271
 O      0.809981     -0.574875     -0.153813    0.00   0.000654237   0.001270734  -0.000736913
 O      0.795870     -1.761898     -0.933242    0.00  -0.001333850  -0.000777430   0.002361028
 C      1.463803     -2.735688     -0.137126    0.00   0.000177690  -0.000660402   0.003941200
 H      2.247869     -2.329755      0.498255    0.00   0.000324215   0.000013561   0.001040553
 O      1.043619     -3.857009     -0.252555    0.00  -0.004065374   0.000679253  -0.004980441
26
 Energy =      -0.197561772979
 C     -0.269594      2.023097      0.569400    0.00   0.000516757  -0.000003962  -0.000224642
 C     -1.486510      2.101778     -0.362761    0.00   0.000547288  -0.000014460  -0.000116786
 C     -1.584628      0.862301     -1.261519    0.00   0.000587329   0.000079337   0.000128770
 C     -1.707608     -0.416701     -0.415142    0.00   0.000636589  -0.000067742   0.000165383
 C     -0.487421     -0.491406      0.528261    0.00   0.000591588  -0.000037106  -0.000329317
 C     -0.277024      0.744826      1.412157    0.00   0.000490344  -0.000044601  -0.000247554
 H     -2.450370      0.949162     -1.942923    0.00   0.000052989   0.000004978   0.000022936
 H     -2.413085      2.213321      0.232541    0.00   0.000056611  -0.000012205  -0.000013407
 H     -1.417222      3.012018     -0.988675    0.00   0.000039116   0.000004024  -0.000016101
 H      0.661860      2.058837     -0.033086    0.00   0.000044801   0.000005025  -0.000020466
 H     -0.241215      2.907289      1.233823    0.00   0.000042401  -0.000002474  -0.000022344
 H     -2.612714     -0.331395      0.241556    0.00   0.000056468  -0.000017059   0.000012064
 H     -1.080629      0.767353      2.176065    0.00   0.000043548  -0.000007038  -0.000022028
 H      0.669974      0.641235      1.979724    0.00   0.000041441  -0.000002759  -0.000024551
 H     -0.687119      0.790754     -1.910205    0.00   0.000043863   0.000022836   0.000010742
 O     -0.553708     -1.607163      1.405204    0.00  -0.000407259  -0.000374301  -0.001478587
 C     -1.866004     -1.657707     -1.290131    0.00   0.000525063  -0.000168402   0.000263113
 H     -1.821790     -2.584139     -0.702952    0.00   0.000044858  -0.000023207   0.000021605
 H     -2.822647     -1.649641     -1.824044    0.00   0.000033509  -0.000010348   0.000023182
 H     -1.069265     -1.727120     -2.047748    0.00   0.000040998  -0.000014136   0.000022191
 H     -0.928437     -2.405014      0.958427    0.00   0.000220576   0.000084251   0.000139886
 O      0.811448     -0.576058     -0.150690    0.00   0.000748322   0.001313829  -0.000815226
 O      0.796878     -1.758048     -0.938088    0.00  -0.001348560  -0.000780539   0.002496339
 C      1.469765     -2.733820     -0.146925    0.00   0.000228746  -0.000754615   0.004008159
 H      2.271393     -2.331462      0.468339    0.00   0.000345412  -0.000015836   0.001061137
 O      1.034463     -3.850989     -0.242984    0.00  -0.004222800   0.000836510  -0.005044500
26
 Energy =      -0.197127455964
 C     -0.269392      2.021538      0.569784    0.00   0.000522725  -0.000008940  -0.000220345
 C     -1.486110      2.100242     -0.362613    0.00   0.000541736  -0.000014175  -0.000119252
 C     -1.583574      0.860952     -1.261692    0.00   0.000579356   0.000076853   0.000121751
 C     -1.706703     -0.418264     -0.415694    0.00   0.000634286  -0.000069683   0.000163129
 C     -0.487390     -0.493305      0.528799    0.00   0.000611846  -0.000049402  -0.000337335
 C     -0.276958      0.743277      1.412495    0.00   0.000506655  -0.000050896  -0.000232393
 H     -2.449055      0.947813     -1.943429    0.00   0.000052081   0.000004872   0.000021658
 H     -2.412856      2.211320      0.232510    0.00   0.000056012  -0.000011620  -0.000013612
 H     -1.416930      3.010675     -0.988237    0.00   0.000038663   0.000004096  -0.000016297
 H      0.662160      2.057277     -0.032548    0.00   0.000044727   0.000004115  -0.000019796
 H     -0.241144      2.905697      1.234253    0.00   0.000043499  -0.000002288  -0.000022383
 H     -2.612059     -0.333168      0.240787    0.00   0.000056109  -0.000016469   0.000011789
 H     -1.080613      0.765685      2.176373    0.00   0.000045417  -0.000006298  -0.000020966
 H      0.669991      0.639649      1.980158    0.00   0.000043085  -0.000003573  -0.000022042
 H     -0.685786      0.789725     -1.909998    0.00   0.000042941   0.000021910   0.000010324
 O     -0.556659     -1.607617      1.406967    0.00  -0.000426309  -0.000404524  -0.001539365
 C     -1.865273     -1.658959     -1.291076    0.00   0.000510678  -0.000182090   0.000256031
 H     -1.821331     -2.585514     -0.704082    0.00   0.000041836  -0.000027151   0.000018167
 H     -2.821930     -1.650475     -1.824953    0.00   0.000030445  -0.000011547   0.000026193
 H     -1.068550     -1.728319     -2.048652    0.00   0.000042433  -0.000012894   0.000020517
 H     -0.920147     -2.409003      0.957118    0.00   0.000220017   0.000089945   0.000136004
 O      0.812917     -0.577425     -0.147472    0.00   0.000841206   0.001350388  -0.000891714
 O      0.798025     -1.754176     -0.943019    0.00  -0.001359418  -0.000777729   0.002623080
 C      1.475561     -2.732144     -0.156790    0.00   0.000280876  -0.000848649   0.004058494
 H      2.294295     -2.333827      0.438073    0.00   0.000366473  -0.000045526   0.001077992
 O      1.025557     -3.844776     -0.233327    0.00  -0.004367374   0.000991276  -0.005089630
26
 Energy =      -0.196683893073
 C     -0.269191      2.020001      0.570139    0.00   0.000526059  -0.000013969  -0.000215850
 C     -1.485729      2.098752     -0.362461    0.00   0.000533897  -0.000014154  -0.000120909
 C     -1.582569      0.859646     -1.261852    0.00   0.000569260   0.000074018   0.000114460
 C     -1.705829     -0.419789     -0.416232    0.00   0.000629241  -0.000071448   0.000160010
 C     -0.487374     -0.495228      0.529315    0.00   0.000628952  -0.000061422  -0.000344237
 C     -0.276863      0.741732      1.412783    0.00   0.000519887  -0.000057507  -0.000217716
 H     -2.447810      0.946510     -1.943895    0.00   0.000051001   0.000004734   0.000020359
 H     -2.412632      2.209387      0.232497    0.00   0.000055141  -0.000011065  -0.000013709
 H     -1.416653      3.009375     -0.987804    0.00   0.000038082   0.000004140  -0.000016360
 H      0.662446      2.055753     -0.032058    0.00   0.000044470   0.000003241  -0.000019130
 H     -0.241058      2.904110      1.234676    0.00   0.000044352  -0.000002129  -0.000022388
 H     -2.611419     -0.334888      0.240056    0.00   0.000055511  -0.000015894   0.000011461
 H     -1.080539      0.764016      2.176663    0.00   0.000046976  -0.000005700  -0.000019926
 H      0.670060      0.638068      1.980503    0.00   0.000044430  -0.000004381  -0.000019677
 H     -0.684524      0.788733     -1.909805    0.00   0.000041898   0.000020935   0.000009867
 O     -0.559675     -1.608079      1.408739    0.00  -0.000441976  -0.000432364  -0.001591102
 C     -1.864611     -1.660163     -1.292009    0.00   0.000495239  -0.000193839   0.000248381
 H     -1.821076     -2.586837     -0.705190    0.00   0.000038774  -0.000030734   0.000014783
 H     -2.821233     -1.651179     -1.825935    0.00   0.000027487  -0.000012632   0.000029042
 H     -1.067836     -1.729539     -2.049470    0.00   0.000043685  -0.000011485   0.000018846
 H     -0.912023     -2.412897      0.956053    0.00   0.000218735   0.000095184   0.000131706
 O      0.814382     -0.578971     -0.144168    0.00   0.000931686   0.001380014  -0.000965650
 O      0.799308     -1.750284     -0.948022    0.00  -0.001366398  -0.000768501   0.002740061
 C      1.481192     -2.730663     -0.166713    0.00   0.000333963  -0.000941857   0.004092368
 H      2.316577     -2.336864      0.407465    0.00   0.000387347  -0.000075315   0.001091180
 O      1.016894     -3.838374     -0.223594    0.00  -0.004497701   0.001142130  -0.005115870
26
 Energy =      -0.196232422091
 C     -0.268994      2.018485      0.570470    0.00   0.000526784  -0.000018980  -0.000211153
 C     -1.485367      2.097312     -0.362309    0.00   0.000523900  -0.000014373  -0.000121787
 C     -1.581614      0.858382     -1.262000    0.00   0.000557155   0.000070844   0.000106948
 C     -1.704988     -0.421275     -0.416757    0.00   0.000621509  -0.000073086   0.000156016
 C     -0.487373     -0.497168      0.529809    0.00   0.000642653  -0.000073105  -0.000350066
 C     -0.276745      0.740192      1.413023    0.00   0.000529919  -0.000064334  -0.000203668
 H     -2.446633      0.945247     -1.944323    0.00   0.000049762   0.000004563   0.000019050
 H     -2.412415      2.207522      0.232499    0.00   0.000054018  -0.000010540  -0.000013704
 H     -1.416390      3.008117     -0.987376    0.00   0.000037379   0.000004154  -0.000016299
 H      0.662717      2.054266     -0.031611    0.00   0.000044042   0.000002408  -0.000018473
 H     -0.240960      2.902530      1.235095    0.00   0.000044959  -0.000001996  -0.000022347
 H     -2.610793     -0.336555      0.239361    0.00   0.000054681  -0.000015354   0.000011082
 H     -1.080414      0.762351      2.176933    0.00   0.000048209  -0.000005235  -0.000018916
 H      0.670172      0.636496      1.980769    0.00   0.000045471  -0.000005178  -0.000017475
 H     -0.683331      0.787779     -1.909626    0.00   0.000040745   0.000019921   0.000009374
 O     -0.562747     -1.608550      1.410513    0.00  -0.000454408  -0.000457610  -0.001633603
 C     -1.864012     -1.661321     -1.292929    0.00   0.000478912  -0.000203603   0.000240263
 H     -1.821011     -2.588108     -0.706272    0.00   0.000035691  -0.000033943   0.000011471
 H     -2.820552     -1.651765     -1.826984    0.00   0.000024659  -0.000013596   0.000031726
 H     -1.067122     -1.730776     -2.050200    0.00   0.000044753  -0.000009913   0.000017189
 H     -0.904063     -2.416696      0.955217    0.00   0.000216763   0.000099928   0.000127070
 O      0.815839     -0.580690     -0.140785    0.00   0.001018510   0.001402361  -0.001036284
 O      0.800725     -1.746370     -0.953086    0.00  -0.001369458  -0.000752390   0.002846195
 C      1.486654     -2.729378     -0.176686    0.00   0.000387837  -0.001033642   0.004109978
 H      2.338246     -2.340590      0.376520    0.00   0.000407966  -0.000105018   0.001100763
 O      1.008469     -3.831789     -0.213797    0.00  -0.004612410   0.001287717  -0.005123352
26
 Energy =      -0.195774436887
 C     -0.268799      2.016993      0.570777    0.00   0.000524945  -0.000023913  -0.000206255
 C     -1.485023      2.095918     -0.362158    0.00   0.000511881  -0.000014802  -0.000121920
 C     -1.580704      0.857160     -1.262134    0.00   0.000543164   0.000067349   0.000099264
 C     -1.704178     -0.422723     -0.417268    0.00   0.000611156  -0.000074657   0.000151141
 C     -0.487388     -0.499124      0.530285    0.00   0.000652750  -0.000084392  -0.000354862
 C     -0.276608      0.738659      1.413219    0.00   0.000536648  -0.000071267  -0.000190371
 H     -2.445519      0.944028     -1.944719    0.00   0.000048369   0.000004364   0.000017746
 H     -2.412205      2.205725      0.232513    0.00   0.000052660  -0.000010043  -0.000013603
 H     -1.416137      3.006902     -0.986956    0.00   0.000036559   0.000004139  -0.000016122
 H      0.662973      2.052814     -0.031202    0.00   0.000043454   0.000001617  -0.000017826
 H     -0.240853      2.900960      1.235507    0.00   0.000045314  -0.000001887  -0.000022249
 H     -2.610186     -0.338169      0.238698    0.00   0.000053629  -0.000014861   0.000010651
 H     -1.080248      0.760691      2.177184    0.00   0.000049101  -0.000004893  -0.000017944
 H      0.670321      0.634934      1.980963    0.00   0.000046208  -0.000005957  -0.000015445
 H     -0.682202      0.786859     -1.909458    0.00   0.000039495   0.000018878   0.000008845
 O     -0.565863     -1.609031      1.412284    0.00  -0.000463751  -0.000480061  -0.001666729
 C     -1.863470     -1.662435     -1.293834    0.00   0.000461847  -0.000211355   0.000231766
 H     -1.821118     -2.589328     -0.707327    0.00   0.000032607  -0.000036767   0.000008255
 H     -2.819885     -1.652244     -1.828094    0.00   0.000021984  -0.000014439   0.000034241
 H     -1.066402     -1.732027     -2.050846    0.00   0.000045636  -0.000008185   0.000015559
 H     -0.896260     -2.420402      0.954597    0.00   0.000214139   0.000104142   0.000122177
 O      0.817284     -0.582576     -0.137331    0.00   0.001100401   0.001417131  -0.001102859
 O      0.802275     -1.742435     -0.958197    0.00  -0.001368556  -0.000728975   0.002940505
 C      1.491948     -2.728298     -0.186704    0.00   0.000442264  -0.001123444   0.004111539
 H      2.359307     -2.345024      0.345234    0.00   0.000428245  -0.000134459   0.001106792
 O      1.000279     -3.825028     -0.203944    0.00  -0.004710149   0.001426738  -0.005112298
26
 Energy =      -0.195311386163
 C     -0.268612      2.015525      0.571062    0.00   0.000520592  -0.000028700  -0.000201146
 C     -1.484699      2.094571     -0.362009    0.00   0.000497984  -0.000015419  -0.000121342
 C     -1.579841      0.855978     -1.262258    0.00   0.000527414   0.000063555   0.000091454
 C     -1.703402     -0.424132     -0.417763    0.00   0.000598266  -0.000076200   0.000145390
 C     -0.487421     -0.501089      0.530742    0.00   0.000659060  -0.000095223  -0.000358665
 C     -0.276457      0.737136      1.413374    0.00   0.000540021  -0.000078200  -0.000177922
 H     -2.444468      0.942849     -1.945082    0.00   0.000046834   0.000004137   0.000016457
 H     -2.412005      2.203996      0.232535    0.00   0.000051088  -0.000009572  -0.000013413
 H     -1.415893      3.005726     -0.986546    0.00   0.000035630   0.000004096  -0.000015839
 H      0.663212      2.051398     -0.030829    0.00   0.000042716   0.000000873  -0.000017191
 H     -0.240739      2.899404      1.235915    0.00   0.000045421  -0.000001800  -0.000022088
 H     -2.609601     -0.339735      0.238064    0.00   0.000052362  -0.000014431   0.000010170
 H     -1.080050      0.759040      2.177416    0.00   0.000049642  -0.000004662  -0.000017014
 H      0.670497      0.633385      1.981093    0.00   0.000046643  -0.000006713  -0.000013599
 H     -0.681137      0.785973     -1.909302    0.00   0.000038161   0.000017816   0.000008283
 O     -0.569015     -1.609520      1.414050    0.00  -0.000470144  -0.000499541  -0.001690398
 C     -1.862980     -1.663505     -1.294724    0.00   0.000444184  -0.000217092   0.000222978
 H     -1.821383     -2.590499     -0.708353    0.00   0.000029541  -0.000039202   0.000005150
 H     -2.819226     -1.652625     -1.829262    0.00   0.000019478  -0.000015159   0.000036578
 H     -1.065675     -1.733288     -2.051409    0.00   0.000046333  -0.000006313   0.000013965
 H     -0.888610     -2.424017      0.954180    0.00   0.000210904   0.000107805   0.000117103
 O      0.818712     -0.584622     -0.133814    0.00   0.001176077   0.001424091  -0.001164622
 O      0.803956     -1.738479     -0.963341    0.00  -0.001363632  -0.000697906   0.003022102
 C      1.497072     -2.727425     -0.196762    0.00   0.000496947  -0.001210738   0.004097284
 H      2.379764     -2.350183      0.313606    0.00   0.000448073  -0.000163464   0.001109313
 O      0.992320     -3.818099     -0.194043    0.00  -0.004789594   0.001557960  -0.005082990
26
 Energy =      -0.194844772518
 C     -0.268431      2.014083      0.571327    0.00   0.000513793  -0.000033279  -0.000195827
 C     -1.484393      2.093269     -0.361862    0.00   0.000482359  -0.000016187  -0.000120092
 C     -1.579022      0.854835     -1.262370    0.00   0.000510039   0.000059489   0.000083566
 C     -1.702661     -0.425502     -0.418245    0.00   0.000582938  -0.000077761   0.000138775
 C     -0.487473     -0.503061      0.531183    0.00   0.000661456  -0.000105543  -0.000361499
 C     -0.276300      0.735626      1.413492    0.00   0.000540007  -0.000085017  -0.000166388
 H     -2.443476      0.941711     -1.945417    0.00   0.000045166   0.000003887   0.000015197
 H     -2.411813      2.202334      0.232565    0.00   0.000049322  -0.000009125  -0.000013143
 H     -1.415661      3.004591     -0.986146    0.00   0.000034596   0.000004024  -0.000015458
 H      0.663437      2.050015     -0.030488    0.00   0.000041838   0.000000180  -0.000016569
 H     -0.240622      2.897862      1.236316    0.00   0.000045279  -0.000001732  -0.000021855
 H     -2.609039     -0.341249      0.237458    0.00   0.000050892  -0.000014071   0.000009640
 H     -1.079827      0.757403      2.177629    0.00   0.000049826  -0.000004526  -0.000016131
 H      0.670694      0.631851      1.981164    0.00   0.000046780  -0.000007440  -0.000011939
 H     -0.680130      0.785118     -1.909155    0.00   0.000036755   0.000016744   0.000007690
 O     -0.572193     -1.610015      1.415806    0.00  -0.000473723  -0.000515886  -0.001704582
 C     -1.862535     -1.664535     -1.295596    0.00   0.000426053  -0.000220832   0.000213972
 H     -1.821794     -2.591621     -0.709348    0.00   0.000026511  -0.000041246   0.000002176
 H     -2.818574     -1.652916     -1.830482    0.00   0.000017155  -0.000015755   0.000038733
 H     -1.064936     -1.734556     -2.051889    0.00   0.000046839  -0.000004311   0.000012417
 H     -0.881106     -2.427543      0.953953    0.00   0.000207101   0.000110901   0.000111922
 O      0.820119     -0.586818     -0.130241    0.00   0.001244261   0.001423072  -0.001220836
 O      0.805772     -1.734500     -0.968506    0.00  -0.001354617  -0.000658926   0.003090185
 C      1.502025     -2.726763     -0.206858    0.00   0.000551505  -0.001295012   0.004067447
 H      2.399620     -2.356090      0.281626    0.00   0.000467318  -0.000191854   0.001108362
 O      0.984588     -3.811011     -0.184104    0.00  -0.004849447   0.001680207  -0.005035762
26
 Energy =      -0.194376152015
 C     -0.268259      2.012668      0.571574    0.00   0.000504624  -0.000037588  -0.000190284
 C     -1.484105      2.092014     -0.361718    0.00   0.000465154  -0.000017074  -0.000118210
 C     -1.578246      0.853732     -1.262473    0.00   0.000491176   0.000055180   0.000075646
 C     -1.701954     -0.426833     -0.418713    0.00   0.000565289  -0.000079360   0.000131319
 C     -0.487545     -0.505034      0.531607    0.00   0.000659837  -0.000115304  -0.000363383
 C     -0.276139      0.734131      1.413577    0.00   0.000536610  -0.000091604  -0.000155817
 H     -2.442541      0.940613     -1.945725    0.00   0.000043376   0.000003616   0.000013973
 H     -2.411630      2.200741      0.232600    0.00   0.000047382  -0.000008700  -0.000012798
 H     -1.415436      3.003495     -0.985758    0.00   0.000033467   0.000003924  -0.000014989
 H      0.663647      2.048666     -0.030176    0.00   0.000040831  -0.000000461  -0.000015959
 H     -0.240501      2.896337      1.236711    0.00   0.000044893  -0.000001682  -0.000021544
 H     -2.608503     -0.342714      0.236876    0.00   0.000049231  -0.000013793   0.000009065
 H     -1.079584      0.755781      2.177824    0.00   0.000049655  -0.000004470  -0.000015298
 H      0.670906      0.630331      1.981185    0.00   0.000046626  -0.000008132  -0.000010464
 H     -0.679182      0.784293     -1.909017    0.00   0.000035286   0.000015671   0.000007071
 O     -0.575389     -1.610518      1.417548    0.00  -0.000474613  -0.000528951  -0.001709309
 C     -1.862132     -1.665526     -1.296451    0.00   0.000407566  -0.000222613   0.000204819
 H     -1.822338     -2.592695     -0.710309    0.00   0.000023534  -0.000042898  -0.000000652
 H     -2.817922     -1.653125     -1.831753    0.00   0.000015023  -0.000016227   0.000040694
 H     -1.064182     -1.735827     -2.052289    0.00   0.000047153  -0.000002199   0.000010925
 H     -0.873742     -2.430981      0.953903    0.00   0.000202777   0.000113423   0.000106706
 O      0.821499     -0.589159     -0.126621    0.00   0.001303707   0.001413980  -0.001270779
 O      0.807722     -1.730497     -0.973676    0.00  -0.001341418  -0.000611893   0.003144021
 C      1.506806     -2.726318     -0.216988    0.00   0.000605468  -0.001375753   0.004022267
 H      2.418872     -2.362766      0.249286    0.00   0.000485815  -0.000219445   0.001103965
 O      0.977082     -3.803770     -0.174132    0.00  -0.004888448   0.001792353  -0.004970984
26
 Energy =      -0.193907134231
 C     -0.268096      2.011281      0.571803    0.00   0.000493172  -0.000041570  -0.000184508
 C     -1.483834      2.090805     -0.361579    0.00   0.000446528  -0.000018041  -0.000115734
 C     -1.577514      0.852669     -1.262566    0.00   0.000470968   0.000050666   0.000067748
 C     -1.701284     -0.428126     -0.419166    0.00   0.000545447  -0.000081019   0.000123062
 C     -0.487639     -0.507003      0.532017    0.00   0.000654157  -0.000124448  -0.000364324
 C     -0.275978      0.732653      1.413632    0.00   0.000529866  -0.000097836  -0.000146220
 H     -2.441659      0.939556     -1.946009    0.00   0.000041474   0.000003328   0.000012794
 H     -2.411458      2.199214      0.232639    0.00   0.000045290  -0.000008293  -0.000012387
 H     -1.415219      3.002439     -0.985382    0.00   0.000032249   0.000003797  -0.000014443
 H      0.663842      2.047351     -0.029890    0.00   0.000039701  -0.000001046  -0.000015360
 H     -0.240379      2.894832      1.237099    0.00   0.000044265  -0.000001646  -0.000021151
 H     -2.607997     -0.344133      0.236316    0.00   0.000047390  -0.000013599   0.000008446
 H     -1.079331      0.754179      2.178001    0.00   0.000049128  -0.000004476  -0.000014516
 H      0.671127      0.628830      1.981160    0.00   0.000046192  -0.000008782  -0.000009174
 H     -0.678288      0.783497     -1.908886    0.00   0.000033767   0.000014606   0.000006427
 O     -0.578597     -1.611025      1.419272    0.00  -0.000472939  -0.000538615  -0.001704643
 C     -1.861767     -1.666480     -1.297286    0.00   0.000388828  -0.000222485   0.000195578
 H     -1.823004     -2.593722     -0.711236    0.00   0.000020629  -0.000044164  -0.000003316
 H     -2.817268     -1.653262     -1.833071    0.00   0.000013091  -0.000016577   0.000042450
 H     -1.063410     -1.737100     -2.052605    0.00   0.000047269   0.000000000   0.000009498
 H     -0.866508     -2.434334      0.954017    0.00   0.000197978   0.000115370   0.000101520
 O      0.822847     -0.591632     -0.122961    0.00   0.001353224   0.001396784  -0.001313757
 O      0.809809     -1.726469     -0.978840    0.00  -0.001323934  -0.000556809   0.003182951
 C      1.511414     -2.726098     -0.227151    0.00   0.000658264  -0.001452433   0.003961965
 H      2.437521     -2.370234      0.216571    0.00   0.000503369  -0.000246035   0.001096137
 O      0.969800     -3.796386     -0.164136    0.00  -0.004905373   0.001893325  -0.004889044
26
 Energy =      -0.193439383331
 C     -0.267944      2.009922      0.572016    0.00   0.000479535  -0.000045163  -0.000178484
 C     -1.483581      2.089640     -0.361443    0.00   0.000426636  -0.000019055  -0.000112704
 C     -1.576823      0.851642     -1.262652    0.00   0.000449558   0.000045986   0.000059925
 C     -1.700652     -0.429381     -0.419604    0.00   0.000523553  -0.000082739   0.000114059
 C     -0.487759     -0.508967      0.532414    0.00   0.000644402  -0.000132919  -0.000364306
 C     -0.275821      0.731195      1.413658    0.00   0.000519845  -0.000103593  -0.000137586
 H     -2.440829      0.938537     -1.946272    0.00   0.000039474   0.000003026   0.000011668
 H     -2.411296      2.197752      0.232679    0.00   0.000043066  -0.000007902  -0.000011918
 H     -1.415010      3.001420     -0.985022    0.00   0.000030948   0.000003646  -0.000013827
 H      0.664022      2.046067     -0.029627    0.00   0.000038456  -0.000001572  -0.000014772
 H     -0.240258      2.893348      1.237480    0.00   0.000043403  -0.000001623  -0.000020673
 H     -2.607524     -0.345504      0.235775    0.00   0.000045383  -0.000013492   0.000007787
 H     -1.079072      0.752600      2.178162    0.00   0.000048256  -0.000004529  -0.000013784
 H      0.671351      0.627347      1.981093    0.00   0.000045488  -0.000009383  -0.000008058
 H     -0.677448      0.782728     -1.908761    0.00   0.000032205   0.000013554   0.000005766
 O     -0.581810     -1.611537      1.420978    0.00  -0.000468809  -0.000544770  -0.001690695
 C     -1.861434     -1.667396     -1.298103    0.00   0.000369931  -0.000220519   0.000186302
 H     -1.823783     -2.594702     -0.712126    0.00   0.000017812  -0.000045047  -0.000005799
 H     -2.816611     -1.653333     -1.834432    0.00   0.000011361  -0.000016805   0.000043985
 H     -1.062617     -1.738371     -2.052843    0.00   0.000047182   0.000002258   0.000008145
 H     -0.859396     -2.437602      0.954284    0.00   0.000192749   0.000116744   0.000096420
 O      0.824157     -0.594229     -0.119268    0.00   0.001391705   0.001371529  -0.001349113
 O      0.812038     -1.722414     -0.983980    0.00  -0.001302049  -0.000493839   0.003206368
 C      1.515847     -2.726105     -0.237346    0.00   0.000709199  -0.001524475   0.003886752
 H      2.455559     -2.378518      0.183467    0.00   0.000519750  -0.000271399   0.001084878
 O      0.962739     -3.788869     -0.154122    0.00  -0.004899040   0.001982080  -0.004790337
26
 Energy =      -0.192974620091
 C     -0.267802      2.008593      0.572213    0.00   0.000463823  -0.000048314  -0.000172197
 C     -1.483345      2.088520     -0.361313    0.00   0.000405642  -0.000020073  -0.000109163
 C     -1.576172      0.850652     -1.262728    0.00   0.000427091   0.000041185   0.000052236
 C     -1.700060     -0.430596     -0.420028    0.00   0.000499772  -0.000084502   0.000104385
 C     -0.487904     -0.510919      0.532798    0.00   0.000630607  -0.000140654  -0.000363298
 C     -0.275672      0.729757      1.413661    0.00   0.000506650  -0.000108754  -0.000129875
 H     -2.440049      0.937559     -1.946515    0.00   0.000037385   0.000002715   0.000010602
 H     -2.411144      2.196355      0.232719    0.00   0.000040733  -0.000007524  -0.000011397
 H     -1.414807      3.000440     -0.984674    0.00   0.000029572   0.000003472  -0.000013154
 H      0.664187      2.044813     -0.029384    0.00   0.000037104  -0.000002036  -0.000014189
 H     -0.240137      2.891889      1.237853    0.00   0.000042314  -0.000001610  -0.000020107
 H     -2.607087     -0.346830      0.235250    0.00   0.000043225  -0.000013470   0.000007096
 H     -1.078812      0.751048      2.178307    0.00   0.000047051  -0.000004609  -0.000013100
 H      0.671573      0.625884      1.980992    0.00   0.000044527  -0.000009927  -0.000007108
 H     -0.676657      0.781984     -1.908640    0.00   0.000030611   0.000012525   0.000005091
 O     -0.585020     -1.612052      1.422662    0.00  -0.000462332  -0.000547334  -0.001667614
 C     -1.861130     -1.668279     -1.298900    0.00   0.000350951  -0.000216799   0.000177036
 H     -1.824664     -2.595638     -0.712981    0.00   0.000015100  -0.000045553  -0.000008084
 H     -2.815944     -1.653345     -1.835837    0.00   0.000009831  -0.000016913   0.000045283
 H     -1.061802     -1.739639     -2.053000    0.00   0.000046886   0.000004542   0.000006874
 H     -0.852394     -2.440790      0.954693    0.00   0.000187132   0.000117553   0.000091456
 O      0.825423     -0.596938     -0.115550    0.00   0.001418146   0.001338346  -0.001376219
 O      0.814411     -1.718333     -0.989083    0.00  -0.001275628  -0.000423357   0.003213704
 C      1.520101     -2.726346     -0.247574    0.00   0.000757452  -0.001591227   0.003796812
 H      2.472975     -2.387641      0.149957    0.00   0.000534683  -0.000295286   0.001070176
 O      0.955899     -3.781231     -0.144097    0.00  -0.004868328   0.002057605  -0.004675246
26
 Energy =      -0.192514624887
 C     -0.267672      2.007295      0.572398    0.00   0.000446158  -0.000050974  -0.000165624
 C     -1.483127      2.087444     -0.361188    0.00   0.000383700  -0.000021057  -0.000105149
 C     -1.575563      0.849699     -1.262798    0.00   0.000403718   0.000036313   0.000044740
 C     -1.699508     -0.431773     -0.420437    0.00   0.000474277  -0.000086285   0.000094136
 C     -0.488079     -0.512856      0.533173    0.00   0.000612860  -0.000147580  -0.000361244
 C     -0.275536      0.728345      1.413641    0.00   0.000490418  -0.000113193  -0.000123014
 H     -2.439317      0.936619     -1.946743    0.00   0.000035221   0.000002399   0.000009599
 H     -2.411004      2.195022      0.232760    0.00   0.000038311  -0.000007155  -0.000010833
 H     -1.414611      2.999494     -0.984342    0.00   0.000028128   0.000003276  -0.000012431
 H      0.664337      2.043590     -0.029161    0.00   0.000035649  -0.000002436  -0.000013609
 H     -0.240020      2.890455      1.238219    0.00   0.000041006  -0.000001602  -0.000019453
 H     -2.606689     -0.348111      0.234739    0.00   0.000040930  -0.000013525   0.000006376
 H     -1.078555      0.749526      2.178438    0.00   0.000045527  -0.000004699  -0.000012460
 H      0.671791      0.624442      1.980858    0.00   0.000043322  -0.000010407  -0.000006310
 H     -0.675915      0.781264     -1.908523    0.00   0.000028990   0.000011523   0.000004410
 O     -0.588224     -1.612569      1.424322    0.00  -0.000453603  -0.000546238  -0.001635574
 C     -1.860850     -1.669128     -1.299675    0.00   0.000331953  -0.000211414   0.000167815
 H     -1.825640     -2.596530     -0.713798    0.00   0.000012511  -0.000045689  -0.000010155
 H     -2.815267     -1.653303     -1.837282    0.00   0.000008501  -0.000016903   0.000046321
 H     -1.060959     -1.740900     -2.053080    0.00   0.000046373   0.000006815   0.000005691
 H     -0.845489     -2.443898      0.955230    0.00   0.000181166   0.000117801   0.000086665
 O      0.826640     -0.599748     -0.111816    0.00   0.001431692   0.001297439  -0.001394486
 O      0.816934     -1.714225     -0.994135    0.00  -0.001244534  -0.000345964   0.003204423
 C      1.524173     -2.726828     -0.257836    0.00   0.000802060  -0.001651937   0.003692305
 H      2.489754     -2.397628      0.116024    0.00   0.000547852  -0.000317401   0.001051999
 O      0.949282     -3.773481     -0.134067    0.00  -0.004812185   0.002118892  -0.004544137
26
 Energy =      -0.192061241986
 C     -0.267554      2.006029      0.572568    0.00   0.000426670  -0.000053091  -0.000158746
 C     -1.482923      2.086411     -0.361069    0.00   0.000360975  -0.000021962  -0.000100700
 C     -1.574993      0.848780     -1.262859    0.00   0.000379585   0.000031422   0.000037503
 C     -1.699000     -0.432912     -0.420833    0.00   0.000447261  -0.000088026   0.000083427
 C     -0.488285     -0.514774      0.533538    0.00   0.000591292  -0.000153621  -0.000358058
 C     -0.275412      0.726959      1.413604    0.00   0.000471319  -0.000116788  -0.000116908
 H     -2.438629      0.935718     -1.946953    0.00   0.000032994   0.000002080   0.000008663
 H     -2.410875      2.193752      0.232797    0.00   0.000035822  -0.000006793  -0.000010232
 H     -1.414420      2.998585     -0.984024    0.00   0.000026624   0.000003063  -0.000011670
 H      0.664473      2.042397     -0.028954    0.00   0.000034097  -0.000002772  -0.000013028
 H     -0.239905      2.889051      1.238574    0.00   0.000039489  -0.000001599  -0.000018713
 H     -2.606333     -0.349350      0.234238    0.00   0.000038516  -0.000013649   0.000005637
 H     -1.078306      0.748037      2.178558    0.00   0.000043709  -0.000004783  -0.000011859
 H      0.671998      0.623021      1.980698    0.00   0.000041890  -0.000010814  -0.000005649
 H     -0.675220      0.780567     -1.908409    0.00   0.000027348   0.000010553   0.000003732
 O     -0.591416     -1.613085      1.425956    0.00  -0.000442713  -0.000541431  -0.001594786
 C     -1.860594     -1.669947     -1.300431    0.00   0.000312990  -0.000204478   0.000158666
 H     -1.826703     -2.597378     -0.714578    0.00   0.000010061  -0.000045463  -0.000011996
 H     -2.814574     -1.653216     -1.838765    0.00   0.000007361  -0.000016774   0.000047077
 H     -1.060088     -1.742153     -2.053081    0.00   0.000045638   0.000009039   0.000004605
 H     -0.838669     -2.446929      0.955887    0.00   0.000174879   0.000117492   0.000082072
 O      0.827800     -0.602646     -0.108072    0.00   0.001431655   0.001249119  -0.001403361
 O      0.819613     -1.710087     -0.999120    0.00  -0.001208605  -0.000262550   0.003177992
 C      1.528057     -2.727554     -0.268134    0.00   0.000841901  -0.001705694   0.003573378
 H      2.505876     -2.408502      0.081649    0.00   0.000558891  -0.000337400   0.001030307
 O      0.942885     -3.765630     -0.124038    0.00  -0.004729647   0.002164921  -0.004397352
26
 Energy =      -0.191616385152
 C     -0.267448      2.004795      0.572727    0.00   0.000405503  -0.000054626  -0.000151541
 C     -1.482737      2.085420     -0.360955    0.00   0.000337625  -0.000022752  -0.000095860
 C     -1.574460      0.847897     -1.262915    0.00   0.000354843   0.000026570   0.000030590
 C     -1.698535     -0.434013     -0.421214    0.00   0.000418933  -0.000089661   0.000072408
 C     -0.488525     -0.516671      0.533893    0.00   0.000566089  -0.000158667  -0.000353629
 C     -0.275307      0.725600      1.413551    0.00   0.000449557  -0.000119421  -0.000111433
 H     -2.437984      0.934856     -1.947151    0.00   0.000030717   0.000001766   0.000007796
 H     -2.410757      2.192543      0.232834    0.00   0.000033286  -0.000006433  -0.000009603
 H     -1.414238      2.997712     -0.983723    0.00   0.000025066   0.000002834  -0.000010878
 H      0.664595      2.041233     -0.028761    0.00   0.000032453  -0.000003040  -0.000012440
 H     -0.239793      2.887677      1.238921    0.00   0.000037777  -0.000001597  -0.000017887
 H     -2.606022     -0.350547      0.233747    0.00   0.000036001  -0.000013824   0.000004888
 H     -1.078069      0.746585      2.178666    0.00   0.000041619  -0.000004845  -0.000011290
 H      0.672193      0.621623      1.980513    0.00   0.000040247  -0.000011136  -0.000005107
 H     -0.674568      0.779891     -1.908294    0.00   0.000025691   0.000009618   0.000003063
 O     -0.594589     -1.613600      1.427561    0.00  -0.000429739  -0.000532886  -0.001545476
 C     -1.860354     -1.670735     -1.301165    0.00   0.000294100  -0.000196102   0.000149603
 H     -1.827846     -2.598184     -0.715318    0.00   0.000007765  -0.000044882  -0.000013588
 H     -2.813867     -1.653087     -1.840285    0.00   0.000006403  -0.000016527   0.000047523
 H     -1.059187     -1.743395     -2.053005    0.00   0.000044671   0.000011162   0.000003620
 H     -0.831916     -2.449886      0.956654    0.00   0.000168292   0.000116624   0.000077686
 O      0.828898     -0.605620     -0.104326    0.00   0.001417557   0.001193752  -0.001402335
 O      0.822455     -1.705921     -1.004022    0.00  -0.001167705  -0.000174285   0.003133908
 C      1.531750     -2.728531     -0.278468    0.00   0.000875720  -0.001751419   0.003440153
 H      2.521315     -2.420283      0.046813    0.00   0.000567387  -0.000354875   0.001005038
 O      0.936713     -3.757693     -0.114016    0.00  -0.004619857   0.002194651  -0.004235209
26
 Energy =      -0.191182044448
 C     -0.267353      2.003593      0.572874    0.00   0.000382807  -0.000055541  -0.000143986
 C     -1.482565      2.084470     -0.360849    0.00   0.000313808  -0.000023382  -0.000090667
 C     -1.573965      0.847049     -1.262965    0.00   0.000329639   0.000021815   0.000024071
 C     -1.698115     -0.435076     -0.421580    0.00   0.000389521  -0.000091080   0.000061237
 C     -0.488801     -0.518541      0.534241    0.00   0.000537488  -0.000162617  -0.000347808
 C     -0.275220      0.724270      1.413484    0.00   0.000425371  -0.000120978  -0.000106443
 H     -2.437381      0.934033     -1.947336    0.00   0.000028405   0.000001458   0.000006996
 H     -2.410650      2.191395      0.232867    0.00   0.000030724  -0.000006074  -0.000008950
 H     -1.414060      2.996872     -0.983437    0.00   0.000023461   0.000002593  -0.000010067
 H      0.664704      2.040096     -0.028583    0.00   0.000030721  -0.000003241  -0.000011839
 H     -0.239686      2.886333      1.239257    0.00   0.000035881  -0.000001592  -0.000016980
 H     -2.605759     -0.351703      0.233260    0.00   0.000033405  -0.000014029   0.000004139
 H     -1.077844      0.745172      2.178765    0.00   0.000039288  -0.000004871  -0.000010743
 H      0.672372      0.620246      1.980308    0.00   0.000038408  -0.000011367  -0.000004666
 H     -0.673959      0.779236     -1.908180    0.00   0.000024020   0.000008720   0.000002416
 O     -0.597740     -1.614113      1.429139    0.00  -0.000414752  -0.000520586  -0.001487896
 C     -1.860129     -1.671493     -1.301879    0.00   0.000275305  -0.000186416   0.000140634
 H     -1.829061     -2.598949     -0.716020    0.00   0.000005643  -0.000043955  -0.000014916
 H     -2.813140     -1.652921     -1.841840    0.00   0.000005615  -0.000016165   0.000047630
 H     -1.058255     -1.744625     -2.052854    0.00   0.000043465   0.000013139   0.000002743
 H     -0.825217     -2.452772      0.957521    0.00   0.000161418   0.000115188   0.000073506
 O      0.829927     -0.608653     -0.100585    0.00   0.001389153   0.001131839  -0.001390926
 O      0.825467     -1.701723     -1.008829    0.00  -0.001121686  -0.000082702   0.003071623
 C      1.535240     -2.729762     -0.288842    0.00   0.000902110  -0.001787788   0.003292767
 H      2.536041     -2.432991      0.011499    0.00   0.000572881  -0.000369350   0.000976130
 O      0.930766     -3.749681     -0.104006    0.00  -0.004482097   0.002206980  -0.004058003
26
 Energy =      -0.190760294105
 C     -0.267272      2.002425      0.573012    0.00   0.000358748  -0.000055805  -0.000136062
 C     -1.482408      2.083561     -0.360748    0.00   0.000289679  -0.000023815  -0.000085155
 C     -1.573507      0.846233     -1.263010    0.00   0.000304123   0.000017225   0.000018009
 C     -1.697740     -0.436101     -0.421934    0.00   0.000359266  -0.000092173   0.000050108
 C     -0.489115     -0.520383      0.534584    0.00   0.000505786  -0.000165333  -0.000340419
 C     -0.275155      0.722974      1.413407    0.00   0.000399024  -0.000121350  -0.000101776
 H     -2.436817      0.933248     -1.947512    0.00   0.000026070   0.000001163   0.000006261
 H     -2.410554      2.190304      0.232899    0.00   0.000028154  -0.000005710  -0.000008283
 H     -1.413888      2.996066     -0.983165    0.00   0.000021817   0.000002343  -0.000009244
 H      0.664800      2.038989     -0.028414    0.00   0.000028904  -0.000003373  -0.000011221
 H     -0.239583      2.885024      1.239582    0.00   0.000033820  -0.000001583  -0.000015997
 H     -2.605547     -0.352819      0.232778    0.00   0.000030747  -0.000014239   0.000003402
 H     -1.077637      0.743802      2.178857    0.00   0.000036746  -0.000004852  -0.000010210
 H      0.672533      0.618893      1.980085    0.00   0.000036391  -0.000011494  -0.000004303
 H     -0.673392      0.778599     -1.908065    0.00   0.000022340   0.000007861   0.000001799
 O     -0.600865     -1.614621      1.430684    0.00  -0.000397818  -0.000504533  -0.001422317
 C     -1.859916     -1.672225     -1.302572    0.00   0.000256615  -0.000175555   0.000131752
 H     -1.830341     -2.599674     -0.716685    0.00   0.000003707  -0.000042689  -0.000015962
 H     -2.812392     -1.652726     -1.843428    0.00   0.000004977  -0.000015687   0.000047367
 H     -1.057289     -1.745840     -2.052630    0.00   0.000042012   0.000014917   0.000001977
 H     -0.818552     -2.455589      0.958483    0.00   0.000154256   0.000113159   0.000069512
 O      0.830879     -0.611733     -0.096856    0.00   0.001346465   0.001063940  -0.001368692
 O      0.828655     -1.697497     -1.013523    0.00  -0.001070451   0.000010315   0.002990598
 C      1.538520     -2.731251     -0.299258    0.00   0.000919567  -0.001813228   0.003131375
 H      2.550014     -2.446640     -0.024311    0.00   0.000574874  -0.000380261   0.000943512
 O      0.925048     -3.741607     -0.094014    0.00  -0.004315817   0.002200757  -0.003866028
26
 Energy =       -0.19035330101
 C     -0.267203      2.001292      0.573139    0.00   0.000333497  -0.000055399  -0.000127749
 C     -1.482267      2.082692     -0.360654    0.00   0.000265385  -0.000024012  -0.000079367
 C     -1.573084      0.845449     -1.263049    0.00   0.000278437   0.000012861   0.000012473
 C     -1.697414     -0.437091     -0.422273    0.00   0.000328421  -0.000092790   0.000039226
 C     -0.489469     -0.522192      0.534921    0.00   0.000471321  -0.000166663  -0.000331255
 C     -0.275113      0.721711      1.413320    0.00   0.000370816  -0.000120448  -0.000097248
 H     -2.436290      0.932502     -1.947680    0.00   0.000023729   0.000000884   0.000005588
 H     -2.410467      2.189270      0.232926    0.00   0.000025597  -0.000005342  -0.000007604
 H     -1.413722      2.995294     -0.982911    0.00   0.000020142   0.000002090  -0.000008418
 H      0.664883      2.037907     -0.028256    0.00   0.000027006  -0.000003436  -0.000010580
 H     -0.239486      2.883750      1.239896    0.00   0.000031605  -0.000001565  -0.000014946
 H     -2.605387     -0.353897      0.232295    0.00   0.000028050  -0.000014423   0.000002688
 H     -1.077447      0.742475      2.178945    0.00   0.000034029  -0.000004777  -0.000009681
 H      0.672675      0.617562      1.979846    0.00   0.000034211  -0.000011506  -0.000004003
 H     -0.672862      0.777980     -1.907949    0.00   0.000020650   0.000007040   0.000001223
 O     -0.603961     -1.615126      1.432198    0.00  -0.000378991  -0.000484749  -0.001349025
 C     -1.859712     -1.672929     -1.303244    0.00   0.000238022  -0.000163665   0.000122939
 H     -1.831681     -2.600359     -0.717311    0.00   0.000001974  -0.000041094  -0.000016713
 H     -2.811623     -1.652504     -1.845046    0.00   0.000004474  -0.000015093   0.000046703
 H     -1.056291     -1.747039     -2.052333    0.00   0.000040307   0.000016442   0.000001325
 H     -0.811902     -2.458340      0.959529    0.00   0.000146792   0.000110501   0.000065665
 O      0.831750     -0.614846     -0.093147    0.00   0.001289797   0.000990744  -0.001335220
 O      0.832029     -1.693241     -1.018093    0.00  -0.001013938   0.000102476   0.002890248
 C      1.541580     -2.732999     -0.309717    0.00   0.000926505  -0.001825857   0.002956197
 H      2.563192     -2.461243     -0.060629    0.00   0.000572838  -0.000386953   0.000907126
 O      0.919562     -3.733486     -0.084046    0.00  -0.004120675   0.002174735  -0.003659593
26
 Energy =      -0.189963333241
 C     -0.267146      2.000191      0.573258    0.00   0.000307230  -0.000054304  -0.000119037
 C     -1.482139      2.081861     -0.360566    0.00   0.000241067  -0.000023939  -0.000073341
 C     -1.572695      0.844697     -1.263085    0.00   0.000252723   0.000008790   0.000007523
 C     -1.697135     -0.438045     -0.422599    0.00   0.000297257  -0.000092767   0.000028811
 C     -0.489866     -0.523966      0.535254    0.00   0.000434486  -0.000166448  -0.000320071
 C     -0.275094      0.720483      1.413228    0.00   0.000341059  -0.000118184  -0.000092673
 H     -2.435799      0.931794     -1.947841    0.00   0.000021394   0.000000626   0.000004970
 H     -2.410393      2.188291      0.232950    0.00   0.000023067  -0.000004965  -0.000006921
 H     -1.413562      2.994551     -0.982671    0.00   0.000018442   0.000001833  -0.000007597
 H      0.664954      2.036854     -0.028106    0.00   0.000025032  -0.000003432  -0.000009907
 H     -0.239393      2.882512      1.240199    0.00   0.000029259  -0.000001537  -0.000013831
 H     -2.605283     -0.354939      0.231811    0.00   0.000025335  -0.000014543   0.000002012
 H     -1.077277      0.741195      2.179028    0.00   0.000031175  -0.000004642  -0.000009143
 H      0.672796      0.616256      1.979595    0.00   0.000031883  -0.000011393  -0.000003742
 H     -0.672369      0.777379     -1.907830    0.00   0.000018951   0.000006257   0.000000701
 O     -0.607024     -1.615623      1.433680    0.00  -0.000358313  -0.000461268  -0.001268327
 C     -1.859515     -1.673609     -1.303896    0.00   0.000219504  -0.000150898   0.000114160
 H     -1.833075     -2.601007     -0.717900    0.00   0.000000458  -0.000039178  -0.000017150
 H     -2.810830     -1.652262     -1.846693    0.00   0.000004083  -0.000014387   0.000045607
 H     -1.055258     -1.748220     -2.051969    0.00   0.000038343   0.000017662   0.000000789
 H     -0.805249     -2.461028      0.960657    0.00   0.000138999   0.000107158   0.000061911
 O      0.832533     -0.617977     -0.089464    0.00   0.001219750   0.000913015  -0.001290139
 O      0.835598     -1.688957     -1.022522    0.00  -0.000952174   0.000191103   0.002769977
 C      1.544406     -2.735007     -0.320223    0.00   0.000921324  -0.001823475   0.002767549
 H      2.575521     -2.476802     -0.097467    0.00   0.000566231  -0.000388676   0.000866932
 O      0.914313     -3.725333     -0.074107    0.00  -0.003896567   0.002127591  -0.003439066
26
 Energy =      -0.189592767718
 C     -0.267102      1.999127      0.573369    0.00   0.000280132  -0.000052513  -0.000109915
 C     -1.482025      2.081067     -0.360485    0.00   0.000216859  -0.000023568  -0.000067113
 C     -1.572339      0.843976     -1.263116    0.00   0.000227118   0.000005082   0.000003212
 C     -1.696904     -0.438963     -0.422913    0.00   0.000266033  -0.000091936   0.000019096
 C     -0.490305     -0.525703      0.535582    0.00   0.000395704  -0.000164483  -0.000306622
 C     -0.275101      0.719291      1.413130    0.00   0.000310089  -0.000114498  -0.000087857
 H     -2.435341      0.931124     -1.947995    0.00   0.000019083   0.000000391   0.000004401
 H     -2.410327      2.187364      0.232971    0.00   0.000020581  -0.000004577  -0.000006239
 H     -1.413409      2.993841     -0.982447    0.00   0.000016725   0.000001582  -0.000006785
 H      0.665015      2.035827     -0.027964    0.00   0.000022984  -0.000003363  -0.000009200
 H     -0.239305      2.881311      1.240490    0.00   0.000026798  -0.000001497  -0.000012664
 H     -2.605235     -0.355946      0.231322    0.00   0.000022629  -0.000014560   0.000001387
 H     -1.077127      0.739963      2.179108    0.00   0.000028221  -0.000004444  -0.000008586
 H      0.672895      0.614972      1.979331    0.00   0.000029424  -0.000011144  -0.000003503
 H     -0.671910      0.776794     -1.907709    0.00   0.000017243   0.000005509   0.000000240
 O     -0.610050     -1.616112      1.435128    0.00  -0.000335814  -0.000434142  -0.001180541
 C     -1.859320     -1.674266     -1.304529    0.00   0.000201024  -0.000137414   0.000105374
 H     -1.834516     -2.601620     -0.718452    0.00  -0.000000829  -0.000036951  -0.000017265
 H     -2.810013     -1.652003     -1.848367    0.00   0.000003780  -0.000013569   0.000044049
 H     -1.054194     -1.749382     -2.051538    0.00   0.000036118   0.000018524   0.000000370
 H     -0.798571     -2.463656      0.961860    0.00   0.000130830   0.000103053   0.000058180
 O      0.833222     -0.621111     -0.085813    0.00   0.001137233   0.000831601  -0.001233117
 O      0.839367     -1.684647     -1.026798    0.00  -0.000885311   0.000273118   0.002629182
 C      1.546987     -2.737272     -0.330776    0.00   0.000902515  -0.001803547   0.002565893
 H      2.586947     -2.493315     -0.134830    0.00   0.000554524  -0.000384574   0.000822924
 O      0.909306     -3.717159     -0.064204    0.00  -0.003643691   0.002057921  -0.003204903
26
 Energy =       -0.18924409583
 C     -0.267068      1.998097      0.573472    0.00   0.000252385  -0.000050032  -0.000100379
 C     -1.481922      2.080310     -0.360409    0.00   0.000192881  -0.000022869  -0.000060718
 C     -1.572016      0.843286     -1.263143    0.00   0.000201745   0.000001798  -0.000000414
 C     -1.696720     -0.439845     -0.423215    0.00   0.000235028  -0.000090094   0.000010309
 C     -0.490789     -0.527402      0.535908    0.00   0.000355442  -0.000160589  -0.000290621
 C     -0.275131      0.718136      1.413029    0.00   0.000278248  -0.000109346  -0.000082621
 H     -2.434915      0.930490     -1.948145    0.00   0.000016808   0.000000184   0.000003875
 H     -2.410270      2.186488      0.232987    0.00   0.000018154  -0.000004177  -0.000005561
 H     -1.413262      2.993160     -0.982237    0.00   0.000014996   0.000001337  -0.000005992
 H      0.665065      2.034827     -0.027828    0.00   0.000020867  -0.000003231  -0.000008453
 H     -0.239223      2.880148      1.240768    0.00   0.000024243  -0.000001441  -0.000011452
 H     -2.605245     -0.356918      0.230829    0.00   0.000019951  -0.000014431   0.000000824
 H     -1.076997      0.738779      2.179190    0.00   0.000025206  -0.000004184  -0.000007998
 H      0.672972      0.613711      1.979057    0.00   0.000026846  -0.000010749  -0.000003268
 H     -0.671486      0.776225     -1.907586    0.00   0.000015528   0.000004796  -0.000000147
 O     -0.613037     -1.616592      1.436542    0.00  -0.000311521  -0.000403435  -0.001086021
 C     -1.859127     -1.674900     -1.305141    0.00   0.000182521  -0.000123382   0.000096520
 H     -1.836000     -2.602197     -0.718969    0.00  -0.000001874  -0.000034420  -0.000017042
 H     -2.809170     -1.651732     -1.850064    0.00   0.000003539  -0.000012641   0.000041999
 H     -1.053098     -1.750522     -2.051047    0.00   0.000033629   0.000018979   0.000000063
 H     -0.791848     -2.466229      0.963137    0.00   0.000122227   0.000098079   0.000054382
 O      0.833812     -0.624235     -0.082199    0.00   0.001043430   0.000747452  -0.001163876
 O      0.843346     -1.680314     -1.030910    0.00  -0.000813650   0.000345063   0.002467251
 C      1.549307     -2.739790     -0.341377    0.00   0.000868726  -0.001763217   0.002351882
 H      2.597407     -2.510772     -0.172721    0.00   0.000537225  -0.000373701   0.000775160
 O      0.904544     -3.708981     -0.054343    0.00  -0.003362580   0.001964250  -0.002957703
26
 Energy =       -0.18891992567
 C     -0.267045      1.997101      0.573569    0.00   0.000224171  -0.000046868  -0.000090436
 C     -1.481833      2.079586     -0.360339    0.00   0.000169241  -0.000021821  -0.000054192
 C     -1.571723      0.842623     -1.263168    0.00   0.000176726  -0.000000997  -0.000003316
 C     -1.696585     -0.440696     -0.423505    0.00   0.000204497  -0.000087060   0.000002669
 C     -0.491319     -0.529060      0.536231    0.00   0.000314171  -0.000154544  -0.000271800
 C     -0.275188      0.717019      1.412926    0.00   0.000245885  -0.000102702  -0.000076788
 H     -2.434519      0.929893     -1.948292    0.00   0.000014584   0.000000009   0.000003380
 H     -2.410223      2.185659      0.233001    0.00   0.000015794  -0.000003764  -0.000004892
 H     -1.413121      2.992509     -0.982042    0.00   0.000013264   0.000001103  -0.000005220
 H      0.665104      2.033852     -0.027698    0.00   0.000018688  -0.000003040  -0.000007662
 H     -0.239146      2.879023      1.241035    0.00   0.000021614  -0.000001367  -0.000010205
 H     -2.605312     -0.357858      0.230327    0.00   0.000017324  -0.000014111   0.000000338
 H     -1.076887      0.737646      2.179273    0.00   0.000022166  -0.000003866  -0.000007369
 H      0.673026      0.612473      1.978775    0.00   0.000024161  -0.000010200  -0.000003025
 H     -0.671092      0.775672     -1.907458    0.00   0.000013803   0.000004114  -0.000000454
 O     -0.615983     -1.617062      1.437921    0.00  -0.000285440  -0.000369239  -0.000985133
 C     -1.858934     -1.675514     -1.305734    0.00   0.000163933  -0.000108971   0.000087520
 H     -1.837520     -2.602741     -0.719451    0.00  -0.000002670  -0.000031598  -0.000016475
 H     -2.808304     -1.651453     -1.851782    0.00   0.000003332  -0.000011608   0.000039434
 H     -1.051972     -1.751640     -2.050498    0.00   0.000030877   0.000018986  -0.000000132
 H     -0.785057     -2.468747      0.964484    0.00   0.000113115   0.000092114   0.000050417
 O      0.834300     -0.627336     -0.078629    0.00   0.000939811   0.000661554  -0.001082212
 O      0.847542     -1.675961     -1.034844    0.00  -0.000737711   0.000403164   0.002283629
 C      1.551350     -2.742555     -0.352028    0.00   0.000818896  -0.001699334   0.002126416
 H      2.606833     -2.529154     -0.211134    0.00   0.000513921  -0.000355030   0.000723768
 O      0.900035     -3.700811     -0.044530    0.00  -0.003054153   0.001845077  -0.002698260
26
 Energy =      -0.188622979246
 C     -0.267033      1.996140      0.573658    0.00   0.000195673  -0.000043040  -0.000080101
 C     -1.481754      2.078896     -0.360275    0.00   0.000146031  -0.000020408  -0.000047566
 C     -1.571460      0.841987     -1.263191    0.00   0.000152167  -0.000003246  -0.000005477
 C     -1.696496     -0.441513     -0.423785    0.00   0.000174683  -0.000082644  -0.000003623
 C     -0.491894     -0.530677      0.536552    0.00   0.000272369  -0.000146146  -0.000249891
 C     -0.275267      0.715939      1.412823    0.00   0.000213329  -0.000094570  -0.000070212
 H     -2.434152      0.929331     -1.948436    0.00   0.000012426  -0.000000132   0.000002913
 H     -2.410185      2.184876      0.233012    0.00   0.000013512  -0.000003336  -0.000004235
 H     -1.412987      2.991884     -0.981859    0.00   0.000011535   0.000000884  -0.000004473
 H      0.665135      2.032905     -0.027572    0.00   0.000016451  -0.000002794  -0.000006826
 H     -0.239075      2.877937      1.241289    0.00   0.000018930  -0.000001274  -0.000008932
 H     -2.605436     -0.358769      0.229816    0.00   0.000014770  -0.000013557  -0.000000061
 H     -1.076797      0.736562      2.179358    0.00   0.000019136  -0.000003498  -0.000006689
 H      0.673060      0.611257      1.978486    0.00   0.000021382  -0.000009490  -0.000002758
 H     -0.670729      0.775135     -1.907330    0.00   0.000012074   0.000003463  -0.000000676
 O     -0.618887     -1.617520      1.439265    0.00  -0.000257566  -0.000331651  -0.000878283
 C     -1.858736     -1.676108     -1.306309    0.00   0.000145168  -0.000094363   0.000078287
 H     -1.839071     -2.603254     -0.719900    0.00  -0.000003208  -0.000028491  -0.000015557
 H     -2.807412     -1.651168     -1.853518    0.00   0.000003134  -0.000010474   0.000036334
 H     -1.050816     -1.752736     -2.049895    0.00   0.000027865   0.000018510  -0.000000224
 H     -0.778177     -2.471215      0.965900    0.00   0.000103408   0.000084998   0.000046170
 O      0.834683     -0.630401     -0.075106    0.00   0.000828071   0.000574956  -0.000988010
 O      0.851962     -1.671593     -1.038591    0.00  -0.000658270   0.000443379   0.002077843
 C      1.553100     -2.745557     -0.362726    0.00   0.000752385  -0.001608522   0.001890701
 H      2.615155     -2.548432     -0.250059    0.00   0.000484308  -0.000327469   0.000668974
 O      0.895782     -3.692665     -0.034770    0.00  -0.002719763   0.001698915  -0.002427629
26
 Energy =      -0.188356083196
 C     -0.267031      1.995211      0.573741    0.00   0.000167053  -0.000038577  -0.000069392
 C     -1.481686      2.078238     -0.360217    0.00   0.000123332  -0.000018618  -0.000040872
 C     -1.571224      0.841379     -1.263212    0.00   0.000128158  -0.000004901  -0.000006880
 C     -1.696453     -0.442299     -0.424055    0.00   0.000145809  -0.000076672  -0.000008402
 C     -0.492513     -0.532252      0.536870    0.00   0.000230499  -0.000135200  -0.000224645
 C     -0.275371      0.714899      1.412720    0.00   0.000180909  -0.000084971  -0.000062775
 H     -2.433811      0.928804     -1.948578    0.00   0.000010345  -0.000000235   0.000002465
 H     -2.410154      2.184136      0.233019    0.00   0.000011315  -0.000002893  -0.000003589
 H     -1.412860      2.991285     -0.981689    0.00   0.000009816   0.000000684  -0.000003755
 H      0.665157      2.031982     -0.027450    0.00   0.000014169  -0.000002500  -0.000005940
 H     -0.239010      2.876889      1.241530    0.00   0.000016210  -0.000001159  -0.000007644
 H     -2.605619     -0.359651      0.229294    0.00   0.000012304  -0.000012725  -0.000000367
 H     -1.076726      0.735527      2.179446    0.00   0.000016148  -0.000003086  -0.000005951
 H      0.673073      0.610064      1.978191    0.00   0.000018516  -0.000008613  -0.000002458
 H     -0.670396      0.774612     -1.907199    0.00   0.000010342   0.000002844  -0.000000806
 O     -0.621748     -1.617966      1.440575    0.00  -0.000227884  -0.000290790  -0.000765915
 C     -1.858535     -1.676684     -1.306866    0.00   0.000126134  -0.000079732   0.000068715
 H     -1.840649     -2.603736     -0.720318    0.00  -0.000003485  -0.000025114  -0.000014284
 H     -2.806496     -1.650882     -1.855268    0.00   0.000002915  -0.000009247   0.000032686
 H     -1.049636     -1.753809     -2.049245    0.00   0.000024598   0.000017525  -0.000000219
 H     -0.771186     -2.473634      0.967389    0.00   0.000093016   0.000076547   0.000041519
 O      0.834958     -0.633419     -0.071635    0.00   0.000710096   0.000488708  -0.000881293
 O      0.856613     -1.667217     -1.042142    0.00  -0.000576397   0.000461535   0.001849562
 C      1.554538     -2.748784     -0.373472    0.00   0.000669079  -0.001487258   0.001646275
 H      2.622300     -2.568568     -0.289478    0.00   0.000448239  -0.000289910   0.000611128
 O      0.891792     -3.684554     -0.025071    0.00  -0.002361237   0.001524358  -0.002147162
26
 Energy =       -0.18812215132
 C     -0.267037      1.994316      0.573819    0.00   0.000138478  -0.000033506  -0.000058340
 C     -1.481629      2.077608     -0.360164    0.00   0.000101197  -0.000016447  -0.000034139
 C     -1.571014      0.840795     -1.263231    0.00   0.000104780  -0.000005920  -0.000007535
 C     -1.696453     -0.443055     -0.424316    0.00   0.000118059  -0.000068993  -0.000011537
 C     -0.493177     -0.533785      0.537186    0.00   0.000188979  -0.000121528  -0.000195863
 C     -0.275498      0.713896      1.412618    0.00   0.000148905  -0.000073958  -0.000054404
 H     -2.433497      0.928309     -1.948717    0.00   0.000008353  -0.000000300   0.000002029
 H     -2.410131      2.183434      0.233025    0.00   0.000009207  -0.000002434  -0.000002959
 H     -1.412739      2.990712     -0.981532    0.00   0.000008112   0.000000506  -0.000003065
 H      0.665173      2.031086     -0.027331    0.00   0.000011847  -0.000002163  -0.000005010
 H     -0.238950      2.875877      1.241760    0.00   0.000013476  -0.000001020  -0.000006347
 H     -2.605855     -0.360505      0.228760    0.00   0.000009943  -0.000011577  -0.000000570
 H     -1.076673      0.734539      2.179538    0.00   0.000013226  -0.000002639  -0.000005149
 H      0.673066      0.608891      1.977890    0.00   0.000015575  -0.000007569  -0.000002119
 H     -0.670089      0.774105     -1.907067    0.00   0.000008614   0.000002256  -0.000000845
 O     -0.624565     -1.618399      1.441849    0.00  -0.000196347  -0.000246786  -0.000648513
 C     -1.858325     -1.677244     -1.307408    0.00   0.000106726  -0.000065262   0.000058689
 H     -1.842249     -2.604191     -0.720705    0.00  -0.000003500  -0.000021474  -0.000012659
 H     -2.805557     -1.650599     -1.857031    0.00   0.000002650  -0.000007933   0.000028481
 H     -1.048433     -1.754857     -2.048553    0.00   0.000021082   0.000016018  -0.000000128
 H     -0.764064     -2.476009      0.968949    0.00   0.000081820   0.000066550   0.000036340
 O      0.835125     -0.636379     -0.068220    0.00   0.000587921   0.000403832  -0.000762239
 O      0.861500     -1.662838     -1.045488    0.00  -0.000493490   0.000453423   0.001598669
 C      1.555648     -2.752222     -0.384264    0.00   0.000569549  -0.001332000   0.001395099
 H      2.628193     -2.589514     -0.329367    0.00   0.000405760  -0.000241253   0.000550702
 O      0.888068     -3.676489     -0.015439    0.00  -0.001980922   0.001320176  -0.001858588
26
 Energy =      -0.187924157859
 C     -0.267052      1.993451      0.573892    0.00   0.000110090  -0.000027868  -0.000046986
 C     -1.481581      2.077008     -0.360116    0.00   0.000079674  -0.000013892  -0.000027389
 C     -1.570829      0.840236     -1.263250    0.00   0.000082093  -0.000006270  -0.000007461
 C     -1.696494     -0.443783     -0.424569    0.00   0.000091573  -0.000059489  -0.000012954
 C     -0.493883     -0.535277      0.537500    0.00   0.000148180  -0.000104981  -0.000163403
 C     -0.275645      0.712930      1.412517    0.00   0.000117567  -0.000061594  -0.000045066
 H     -2.433208      0.927847     -1.948855    0.00   0.000006459  -0.000000325   0.000001606
 H     -2.410116      2.182771      0.233029    0.00   0.000007190  -0.000001960  -0.000002346
 H     -1.412626      2.990163     -0.981386    0.00   0.000006427   0.000000352  -0.000002405
 H      0.665181      2.030215     -0.027216    0.00   0.000009500  -0.000001794  -0.000004034
 H     -0.238894      2.874903      1.241976    0.00   0.000010744  -0.000000857  -0.000005046
 H     -2.606143     -0.361336      0.228214    0.00   0.000007697  -0.000010082  -0.000000670
 H     -1.076637      0.733597      2.179635    0.00   0.000010392  -0.000002167  -0.000004281
 H      0.673040      0.607738      1.977584    0.00   0.000012566  -0.000006356  -0.000001737
 H     -0.669808      0.773613     -1.906934    0.00   0.000006898   0.000001703  -0.000000795
 O     -0.627338     -1.618818      1.443087    0.00  -0.000162905  -0.000199804  -0.000526605
 C     -1.858109     -1.677787     -1.307932    0.00   0.000086833  -0.000051135   0.000048070
 H     -1.843863     -2.604621     -0.721064    0.00  -0.000003254  -0.000017585  -0.000010683
 H     -2.804595     -1.650321     -1.858799    0.00   0.000002313  -0.000006542   0.000023716
 H     -1.047212     -1.755882     -2.047825    0.00   0.000017325   0.000013989   0.000000035
 H     -0.756792     -2.478339      0.970585    0.00   0.000069714   0.000054777   0.000030509
 O      0.835183     -0.639271     -0.064862    0.00   0.000463659   0.000321301  -0.000631230
 O      0.866626     -1.658465     -1.048623    0.00  -0.000411249   0.000414990   0.001325282
 C      1.556414     -2.755855     -0.395098    0.00   0.000455108  -0.001139300   0.001139552
 H      2.632763     -2.611213     -0.369693    0.00   0.000357146  -0.000180497   0.000488309
 O      0.884613     -3.668482     -0.005881    0.00  -0.001581741   0.001085383  -0.001563989
26
 Energy =      -0.187765100227
 C     -0.267075      1.992617      0.573958    0.00   0.000082013  -0.000021712  -0.000035359
 C     -1.481541      2.076433     -0.360072    0.00   0.000058773  -0.000010960  -0.000020659
 C     -1.570667      0.839700     -1.263269    0.00   0.000060134  -0.000005931  -0.000006684
 C     -1.696574     -0.444483     -0.424817    0.00   0.000066433  -0.000048079  -0.000012646
 C     -0.494630     -0.536729      0.537812    0.00   0.000108390  -0.000085447  -0.000127217
 C     -0.275813      0.712000      1.412419    0.00   0.000087078  -0.000047973  -0.000034807
 H     -2.432942      0.927415     -1.948991    0.00   0.000004671  -0.000000309   0.000001194
 H     -2.410107      2.182141      0.233030    0.00   0.000005266  -0.000001470  -0.000001749
 H     -1.412520      2.989637     -0.981248    0.00   0.000004766   0.000000225  -0.000001777
 H      0.665183      2.029368     -0.027104    0.00   0.000007145  -0.000001401  -0.000003017
 H     -0.238843      2.873964      1.242182    0.00   0.000008029  -0.000000667  -0.000003745
 H     -2.606483     -0.362143      0.227656    0.00   0.000005568  -0.000008212  -0.000000664
 H     -1.076617      0.732698      2.179735    0.00   0.000007654  -0.000001676  -0.000003345
 H      0.672997      0.606606      1.977275    0.00   0.000009490  -0.000004980  -0.000001314
 H     -0.669554      0.773138     -1.906802    0.00   0.000005202   0.000001193  -0.000000661
 O     -0.630067     -1.619223      1.444289    0.00  -0.000127489  -0.000150022  -0.000400756
 C     -1.857882     -1.678317     -1.308441    0.00   0.000066334  -0.000037525   0.000036702
 H     -1.845484     -2.605026     -0.721396    0.00  -0.000002757  -0.000013455  -0.000008360
 H     -2.803617     -1.650053     -1.860569    0.00   0.000001891  -0.000005076   0.000018389
 H     -1.045979     -1.756881     -2.047070    0.00   0.000013329   0.000011443   0.000000252
 H     -0.749351     -2.480629      0.972299    0.00   0.000056589   0.000040961   0.000023913
 O      0.835139     -0.642090     -0.061565    0.00   0.000339485   0.000241960  -0.000488923
 O      0.871996     -1.654106     -1.051542    0.00  -0.000331653   0.000342538   0.001029876
 C      1.556819     -2.759663     -0.405971    0.00   0.000328032  -0.000906214   0.000882453
 H      2.635937     -2.633599     -0.410416    0.00   0.000302924  -0.000106632   0.000424754
 O      0.881430     -3.660543      0.003598    0.00  -0.001167296   0.000819423  -0.001265849
26
 Energy =      -0.187647958122
 C     -0.267105      1.991812      0.574019    0.00   0.000054337  -0.000015086  -0.000023493
 C     -1.481512      2.075883     -0.360032    0.00   0.000038451  -0.000007672  -0.000014001
 C     -1.570527      0.839185     -1.263288    0.00   0.000038905  -0.000004865  -0.000005238
 C     -1.696691     -0.445157     -0.425059    0.00   0.000042660  -0.000034691  -0.000010642
 C     -0.495414     -0.538143      0.538120    0.00   0.000069938  -0.000062780  -0.000087596
 C     -0.276000      0.711104      1.412322    0.00   0.000057454  -0.000033234  -0.000023679
 H     -2.432698      0.927012     -1.949127    0.00   0.000002991  -0.000000262   0.000000807
 H     -2.410104      2.181542      0.233033    0.00   0.000003434  -0.000000965  -0.000001182
 H     -1.412425      2.989133     -0.981119    0.00   0.000003119   0.000000126  -0.000001185
 H      0.665178      2.028542     -0.026995    0.00   0.000004805  -0.000001009  -0.000001968
 H     -0.238794      2.873059      1.242376    0.00   0.000005345  -0.000000449  -0.000002427
 H     -2.606869     -0.362928      0.227085    0.00   0.000003547  -0.000005950  -0.000000554
 H     -1.076614      0.731841      2.179839    0.00   0.000005013  -0.000001194  -0.000002337
 H      0.672935      0.605493      1.976965    0.00   0.000006344  -0.000003459  -0.000000869
 H     -0.669323      0.772680     -1.906671    0.00   0.000003546   0.000000743  -0.000000442
 O     -0.632755     -1.619614      1.445453    0.00  -0.000088799  -0.000098852  -0.000271423
 C     -1.857646     -1.678834     -1.308936    0.00   0.000045146  -0.000024707   0.000024364
 H     -1.847097     -2.605408     -0.721700    0.00  -0.000002148  -0.000009085  -0.000005550
 H     -2.802629     -1.649805     -1.862324    0.00   0.000001445  -0.000003361   0.000012507
 H     -1.044744     -1.757849     -2.046297    0.00   0.000009032   0.000008403   0.000000314
 H     -0.741728     -2.482876      0.974096    0.00   0.000041160   0.000025854   0.000016435
 O      0.834993     -0.644828     -0.058330    0.00   0.000217243   0.000166884  -0.000336325
 O      0.877612     -1.649773     -1.054243    0.00  -0.000256136   0.000232680   0.000713925
 C      1.556847     -2.763627     -0.416875    0.00   0.000192306  -0.000627587   0.000628037
 H      2.637640     -2.656606     -0.451491    0.00   0.000242646  -0.000022291   0.000357956
 O      0.878523     -3.652677      0.012990    0.00  -0.000741783   0.000522809  -0.000965436
26
 Energy =      -0.187575594586
 C     -0.267093      1.991032      0.574033    0.00   0.000027202  -0.000005170  -0.000006603
 C     -1.481507      2.075351     -0.359965    0.00   0.000018617  -0.000005181  -0.000005605
 C     -1.570409      0.838706     -1.263310    0.00   0.000018955  -0.000007509  -0.000001550
 C     -1.696917     -0.445770     -0.425267    0.00   0.000012189  -0.000021861  -0.000021207
 C     -0.496268     -0.539529      0.538409    0.00   0.000021177  -0.000034452  -0.000045010
 C     -0.276216      0.710241      1.412194    0.00   0.000028756  -0.000017673  -0.000011494
 H     -2.432393      0.926669     -1.949361    0.00   0.000001925  -0.000000408   0.000004523
 H     -2.410075      2.180860      0.233166    0.00   0.000003874   0.000001763  -0.000001983
 H     -1.412495      2.988676     -0.980925    0.00   0.000000348  -0.000002185  -0.000002548
 H      0.665201      2.027721     -0.026950    0.00   0.000001829   0.000001004  -0.000000809
 H     -0.238681      2.872184      1.242516    0.00   0.000001900  -0.000001103  -0.000002534
 H     -2.607362     -0.363569      0.226521    0.00  -0.000001992  -0.000002612   0.000002486
 H     -1.076711      0.731093      2.179839    0.00  -0.000000723  -0.000002728   0.000000260
 H      0.672788      0.604349      1.976704    0.00   0.000004590  -0.000001706  -0.000003316
 H     -0.669060      0.772252     -1.906454    0.00  -0.000001900   0.000001555  -0.000004108
 O     -0.635375     -1.620023      1.446546    0.00  -0.000044269  -0.000039018  -0.000134237
 C     -1.857447     -1.679339     -1.309339    0.00   0.000024027  -0.000010893   0.000012338
 H     -1.848426     -2.605769     -0.721899    0.00  -0.000000173  -0.000003513  -0.000002152
 H     -2.801800     -1.649759     -1.863790    0.00   0.000000562  -0.000001839   0.000005812
 H     -1.043688     -1.758645     -2.045600    0.00   0.000003679   0.000003981  -0.000000142
 H     -0.734314     -2.485063      0.975915    0.00   0.000026155   0.000002777   0.000005457
 O      0.834729     -0.647543     -0.055156    0.00   0.000114555   0.000085832  -0.000182999
 O      0.883640     -1.645444     -1.056789    0.00  -0.000187945   0.000092493   0.000388634
 C      1.556514     -2.767728     -0.427763    0.00   0.000057858  -0.000324458   0.000383648
 H      2.637891     -2.680089     -0.492500    0.00   0.000179429   0.000091123   0.000296477
 O      0.875841     -3.644861      0.022283    0.00  -0.000310626   0.000201781  -0.000673339
26
 Energy =      -0.187551122136
 C     -0.220478      1.932657      0.585577    0.00   0.000001042   0.000002707   0.000005468
 C     -1.434830      2.017214     -0.348446    0.00   0.000000037  -0.000000982   0.000001206
 C     -1.523647      0.780598     -1.251839    0.00   0.000000165  -0.000004857   0.000001448
 C     -1.650449     -0.504030     -0.414011    0.00  -0.000008409  -0.000003077  -0.000014302
 C     -0.450479     -0.598494      0.550206    0.00  -0.000011463   0.000002295  -0.000000261
 C     -0.229776      0.651789      1.423592    0.00   0.000000469  -0.000000477   0.000000681
 H     -2.385527      0.868689     -1.938007    0.00   0.000000433  -0.000000282   0.000004084
 H     -2.363423      2.122690      0.244649    0.00   0.000002256   0.000002287  -0.000001448
 H     -1.365749      2.930578     -0.969329    0.00  -0.000001202  -0.000002228  -0.000002035
 H      0.711850      1.969328     -0.015346    0.00  -0.000000517   0.000001489   0.000000127
 H     -0.191995      2.813718      1.254183    0.00  -0.000000683  -0.000000859  -0.000001283
 H     -2.561192     -0.421952      0.237402    0.00  -0.000003696   0.000000699   0.000002838
 H     -1.030069      0.672687      2.191448    0.00  -0.000003137  -0.000002010   0.000001599
 H      0.719361      0.545641      1.987874    0.00   0.000001541   0.000000001  -0.000002886
 H     -0.622212      0.714192     -1.894835    0.00  -0.000003857   0.000001182  -0.000003948
 O     -0.591310     -1.677998      1.459134    0.00   0.000008394   0.000001833   0.000007347
 C     -1.810518     -1.737466     -1.298321    0.00   0.000001310   0.000001417  -0.000000150
 H     -1.803452     -2.663740     -0.710667    0.00   0.000001071   0.000001421   0.000000904
 H     -2.754076     -1.707140     -1.854109    0.00   0.000000127   0.000000269  -0.000000952
 H     -0.995741     -1.817229     -2.033271    0.00  -0.000001321  -0.000001347  -0.000001006
 H     -0.679441     -2.544855      0.989488    0.00  -0.000001629  -0.000003475  -0.000002836
 O      0.881007     -0.707697     -0.040586    0.00   0.000010914  -0.000010914  -0.000006075
 O      0.936516     -1.698855     -1.047441    0.00   0.000003209   0.000015608   0.000011784
 C      1.602169     -2.829605     -0.427262    0.00   0.000003847  -0.000005621   0.000003304
 H      2.682307     -2.761858     -0.522765    0.00   0.000000010   0.000002230  -0.000000919
 O      0.920318     -3.694872      0.042921    0.00   0.000001088   0.000002692  -0.000002688
26
 Energy =      -0.187576074297
 C     -0.267184      1.989556      0.574139    0.00  -0.000025375   0.000010291   0.000017336
 C     -1.481474      2.074352     -0.359909    0.00  -0.000018561   0.000003172   0.000007706
 C     -1.570207      0.837765     -1.263352    0.00  -0.000019071  -0.000001628   0.000003976
 C     -1.697303     -0.447015     -0.425737    0.00  -0.000027999   0.000015291  -0.000009574
 C     -0.498013     -0.542185      0.539019    0.00  -0.000047552   0.000024925   0.000050123
 C     -0.276658      0.708612      1.412007    0.00  -0.000024180   0.000017073   0.000014389
 H     -2.431983      0.925984     -1.949636    0.00  -0.000000808  -0.000000086   0.000003696
 H     -2.410093      2.179795      0.233149    0.00   0.000000605   0.000002814  -0.000000846
 H     -1.412325      2.987753     -0.980717    0.00  -0.000002703  -0.000002216  -0.000001434
 H      0.665176      2.026210     -0.026725    0.00  -0.000002759   0.000001892   0.000001389
 H     -0.238630      2.870527      1.242867    0.00  -0.000003247  -0.000000534  -0.000000051
 H     -2.608344     -0.365061      0.225300    0.00  -0.000005403   0.000003833   0.000003181
 H     -1.076749      0.729557      2.180073    0.00  -0.000005414  -0.000001735   0.000002562
 H      0.672612      0.602208      1.976060    0.00  -0.000001912   0.000002123  -0.000002288
 H     -0.668684      0.771407     -1.906200    0.00  -0.000004976   0.000000893  -0.000003380
 O     -0.640567     -1.620697      1.448739    0.00   0.000041881   0.000075445   0.000134724
 C     -1.856909     -1.680318     -1.310287    0.00  -0.000022395   0.000011655  -0.000016328
 H     -1.851800     -2.606438     -0.722419    0.00   0.000002358   0.000005978   0.000004327
 H     -2.799673     -1.649247     -1.867411    0.00  -0.000001337   0.000001356  -0.000008035
 H     -1.041116     -1.760539     -2.043925    0.00  -0.000005557  -0.000004114   0.000000551
 H     -0.717890     -2.489372      0.980078    0.00  -0.000009108  -0.000039962  -0.000014159
 O      0.833963     -0.652576     -0.048998    0.00  -0.000101640  -0.000046746   0.000162635
 O      0.896070     -1.636990     -1.061076    0.00  -0.000060256  -0.000308472  -0.000331647
 C      1.554501     -2.776208     -0.449744    0.00  -0.000254477   0.000431851  -0.000096083
 H      2.633401     -2.728353     -0.576013    0.00   0.000036580   0.000323985   0.000162933
 O      0.871474     -3.629609      0.040577    0.00   0.000563306  -0.000527085  -0.000085702
26
 Energy =      -0.187653631006
 C     -0.267271      1.988847      0.574217    0.00  -0.000050993   0.000015651   0.000024473
 C     -1.481441      2.073879     -0.359916    0.00  -0.000036479   0.000009017   0.000012557
 C     -1.570129      0.837295     -1.263368    0.00  -0.000037557   0.000007128   0.000005674
 C     -1.697462     -0.447654     -0.425992    0.00  -0.000038682   0.000039268   0.000011548
 C     -0.498894     -0.543477      0.539334    0.00  -0.000068301   0.000054912   0.000101735
 C     -0.276862      0.707834      1.411931    0.00  -0.000048852   0.000035768   0.000027375
 H     -2.431893      0.925634     -1.949664    0.00  -0.000002471   0.000000430  -0.000000770
 H     -2.410128      2.179404      0.233015    0.00  -0.000003133   0.000001151   0.000001054
 H     -1.412091      2.987281     -0.980699    0.00  -0.000003050   0.000000051   0.000001036
 H      0.665137      2.025500     -0.026577    0.00  -0.000004365   0.000000746   0.000002439
 H     -0.238656      2.869733      1.243061    0.00  -0.000004942   0.000000705   0.000002597
 H     -2.608822     -0.365911      0.224667    0.00  -0.000003389   0.000006864   0.000000731
 H     -1.076662      0.728758      2.180299    0.00  -0.000004496   0.000000707   0.000002141
 H      0.672611      0.601199      1.975656    0.00  -0.000006667   0.000004205   0.000001125
 H     -0.668585      0.770979     -1.906167    0.00  -0.000002609  -0.000000530   0.000000970
 O     -0.643153     -1.620965      1.449850    0.00   0.000078370   0.000133990   0.000263955
 C     -1.856587     -1.680804     -1.310810    0.00  -0.000048415   0.000020886  -0.000033578
 H     -1.853822     -2.606755     -0.722716    0.00   0.000003192   0.000009921   0.000007005
 H     -2.798414     -1.648810     -1.869508    0.00  -0.000002603   0.000002529  -0.000015427
 H     -1.039644     -1.761643     -2.042956    0.00  -0.000009375  -0.000007579   0.000002209
 H     -0.708871     -2.491498      0.982467    0.00  -0.000023874  -0.000063529  -0.000022217
 O      0.833487     -0.654928     -0.046001    0.00  -0.000210011  -0.000098348   0.000346920
 O      0.902499     -1.632858     -1.062883    0.00  -0.000017401  -0.000573802  -0.000714764
 C      1.552796     -2.780526     -0.460806    0.00  -0.000407329   0.000858369  -0.000333481
 H      2.628615     -2.752831     -0.618056    0.00  -0.000035144   0.000463694   0.000101682
 O      0.869753     -3.622143      0.049563    0.00   0.000988575  -0.000922203   0.000203013
26
 Energy =       -0.18778528914
 C     -0.267333      1.988168      0.574269    0.00  -0.000075402   0.000024229   0.000036016
 C     -1.481435      2.073419     -0.359900    0.00  -0.000053323   0.000013950   0.000019250
 C     -1.570055      0.836861     -1.263395    0.00  -0.000054368   0.000011721   0.000009192
 C     -1.697707     -0.448237     -0.426231    0.00  -0.000055375   0.000062238   0.000019964
 C     -0.499829     -0.544731      0.539632    0.00  -0.000098688   0.000090812   0.000155048
 C     -0.277109      0.707091      1.411841    0.00  -0.000071836   0.000055049   0.000041187
 H     -2.431721      0.925340     -1.949804    0.00  -0.000003533   0.000000695  -0.000001209
 H     -2.410150      2.178923      0.232992    0.00  -0.000004611   0.000001686   0.000001636
 H     -1.412014      2.986854     -0.980616    0.00  -0.000004410   0.000000135   0.000001614
 H      0.665117      2.024817     -0.026450    0.00  -0.000006554   0.000001213   0.000003529
 H     -0.238662      2.868972      1.243228    0.00  -0.000007341   0.000001038   0.000003749
 H     -2.609391     -0.366635      0.224016    0.00  -0.000004845   0.000010908   0.000001215
 H     -1.076700      0.728056      2.180427    0.00  -0.000006559   0.000001209   0.000003368
 H      0.672503      0.600169      1.975330    0.00  -0.000009943   0.000006374   0.000001692
 H     -0.668433      0.770595     -1.906053    0.00  -0.000003956  -0.000000760   0.000001431
 O     -0.645665     -1.621247      1.450877    0.00   0.000127452   0.000194519   0.000399347
 C     -1.856274     -1.681272     -1.311277    0.00  -0.000073464   0.000029821  -0.000050103
 H     -1.855564     -2.607048     -0.722951    0.00   0.000004553   0.000014722   0.000010828
 H     -2.797272     -1.648549     -1.871375    0.00  -0.000003906   0.000004393  -0.000022985
 H     -1.038313     -1.762578     -2.042083    0.00  -0.000014266  -0.000012149   0.000002300
 H     -0.699996     -2.493540      0.984899    0.00  -0.000044832  -0.000091052  -0.000034473
 O      0.832913     -0.657196     -0.043080    0.00  -0.000296413  -0.000156737   0.000527676
 O      0.909263     -1.628801     -1.064469    0.00   0.000014025  -0.000869208  -0.001101141
 C      1.550683     -2.784912     -0.471838    0.00  -0.000554555   0.001331672  -0.000552950
 H      2.622150     -2.777586     -0.660170    0.00  -0.000103688   0.000613364   0.000046082
 O      0.868309     -3.614799      0.058432    0.00   0.001405838  -0.001339841   0.000477737
26
 Energy =      -0.187972404079
 C     -0.267396      1.987506      0.574312    0.00  -0.000099027   0.000032977   0.000047477
 C     -1.481435      2.072972     -0.359884    0.00  -0.000069816   0.000019172   0.000025803
 C     -1.569994      0.836438     -1.263424    0.00  -0.000070559   0.000017016   0.000012896
 C     -1.697970     -0.448806     -0.426471    0.00  -0.000071690   0.000086257   0.000028319
 C     -0.500780     -0.545967      0.539921    0.00  -0.000128016   0.000128088   0.000209103
 C     -0.277362      0.706369      1.411747    0.00  -0.000093781   0.000074478   0.000054596
 H     -2.431563      0.925063     -1.949942    0.00  -0.000004488   0.000001010  -0.000001561
 H     -2.410174      2.178454      0.232974    0.00  -0.000006033   0.000002240   0.000002190
 H     -1.411950      2.986439     -0.980536    0.00  -0.000005758   0.000000248   0.000002171
 H      0.665096      2.024146     -0.026332    0.00  -0.000008632   0.000001641   0.000004609
 H     -0.238666      2.868231      1.243384    0.00  -0.000009651   0.000001411   0.000004918
 H     -2.609979     -0.367351      0.223358    0.00  -0.000006321   0.000015156   0.000001707
 H     -1.076744      0.727371      2.180551    0.00  -0.000008625   0.000001710   0.000004578
 H      0.672387      0.599148      1.975001    0.00  -0.000013204   0.000008598   0.000002230
 H     -0.668298      0.770226     -1.905945    0.00  -0.000005188  -0.000000860   0.000001864
 O     -0.648155     -1.621511      1.451874    0.00   0.000177153   0.000257284   0.000532734
 C     -1.855951     -1.681737     -1.311735    0.00  -0.000099673   0.000038063  -0.000068094
 H     -1.857286     -2.607333     -0.723168    0.00   0.000006196   0.000019621   0.000014591
 H     -2.796128     -1.648314     -1.873218    0.00  -0.000005440   0.000006026  -0.000030874
 H     -1.037000     -1.763499     -2.041221    0.00  -0.000019229  -0.000016817   0.000002551
 H     -0.690870     -2.495538      0.987474    0.00  -0.000065195  -0.000122702  -0.000047426
 O      0.832289     -0.659373     -0.040215    0.00  -0.000371500  -0.000211968   0.000706709
 O      0.916254     -1.624824     -1.065849    0.00   0.000030130  -0.001199491  -0.001489615
 C      1.548125     -2.789311     -0.482862    0.00  -0.000687372   0.001842625  -0.000748620
 H      2.613959     -2.802409     -0.702245    0.00  -0.000169577   0.000772780  -0.000004253
 O      0.867133     -3.607549      0.067176    0.00   0.001805294  -0.001774562   0.000731397
26
 Energy =      -0.188215767103
 C     -0.267463      1.986856      0.574351    0.00  -0.000121842   0.000041907   0.000058702
 C     -1.481440      2.072534     -0.359871    0.00  -0.000085909   0.000024686   0.000032306
 C     -1.569946      0.836024     -1.263455    0.00  -0.000086153   0.000022873   0.000016649
 C     -1.698244     -0.449366     -0.426715    0.00  -0.000087748   0.000110963   0.000036275
 C     -0.501742     -0.547186      0.540201    0.00  -0.000156582   0.000166219   0.000262639
 C     -0.277619      0.705666      1.411649    0.00  -0.000114767   0.000094026   0.000067429
 H     -2.431423      0.924799     -1.950079    0.00  -0.000005357   0.000001364  -0.000001851
 H     -2.410202      2.177996      0.232957    0.00  -0.000007412   0.000002811   0.000002739
 H     -1.411893      2.986033     -0.980458    0.00  -0.000007065   0.000000400   0.000002725
 H      0.665073      2.023492     -0.026216    0.00  -0.000010598   0.000002042   0.000005661
 H     -0.238672      2.867505      1.243533    0.00  -0.000011876   0.000001817   0.000006087
 H     -2.610585     -0.368064      0.222690    0.00  -0.000007831   0.000019518   0.000002187
 H     -1.076793      0.726700      2.180671    0.00  -0.000010685   0.000002257   0.000005772
 H      0.672268      0.598139      1.974670    0.00  -0.000016418   0.000010834   0.000002756
 H     -0.668180      0.769872     -1.905846    0.00  -0.000006291  -0.000000854   0.000002262
 O     -0.650624     -1.621757      1.452842    0.00   0.000228699   0.000320900   0.000663360
 C     -1.855613     -1.682200     -1.312188    0.00  -0.000126753   0.000045494  -0.000087358
 H     -1.858997     -2.607609     -0.723372    0.00   0.000007904   0.000024528   0.000018386
 H     -2.794973     -1.648098     -1.875054    0.00  -0.000007113   0.000007610  -0.000038926
 H     -1.035694     -1.764414     -2.040368    0.00  -0.000024261  -0.000021464   0.000002759
 H     -0.681479     -2.497485      0.990214    0.00  -0.000086009  -0.000157296  -0.000060916
 O      0.831627     -0.661455     -0.037403    0.00  -0.000435813  -0.000264816   0.000881030
 O      0.923450     -1.620936     -1.067028    0.00   0.000028151  -0.001560434  -0.001874582
 C      1.545120     -2.793704     -0.493873    0.00  -0.000800747   0.002384929  -0.000918395
 H      2.604033     -2.827215     -0.744226    0.00  -0.000230072   0.000940735  -0.000046924
 O      0.866226     -3.600401      0.075790    0.00   0.002182549  -0.002221049   0.000959229
26
 Energy =      -0.188515539046
 C     -0.267533      1.986221      0.574386    0.00  -0.000143800   0.000050999   0.000069602
 C     -1.481449      2.072102     -0.359860    0.00  -0.000101605   0.000030481   0.000038772
 C     -1.569906      0.835619     -1.263490    0.00  -0.000101187   0.000029227   0.000020347
 C     -1.698527     -0.449918     -0.426966    0.00  -0.000103786   0.000136005   0.000043416
 C     -0.502710     -0.548389      0.540473    0.00  -0.000184708   0.000204508   0.000314553
 C     -0.277879      0.704978      1.411547    0.00  -0.000134855   0.000113559   0.000079468
 H     -2.431296      0.924546     -1.950213    0.00  -0.000006156   0.000001754  -0.000002080
 H     -2.410233      2.177548      0.232940    0.00  -0.000008760   0.000003398   0.000003291
 H     -1.411844      2.985636     -0.980385    0.00  -0.000008328   0.000000595   0.000003287
 H      0.665048      2.022854     -0.026104    0.00  -0.000012447   0.000002421   0.000006675
 H     -0.238682      2.866795      1.243675    0.00  -0.000014011   0.000002254   0.000007247
 H     -2.611202     -0.368777      0.222013    0.00  -0.000009404   0.000023908   0.000002633
 H     -1.076846      0.726038      2.180788    0.00  -0.000012753   0.000002869   0.000006936
 H      0.672144      0.597139      1.974338    0.00  -0.000019551   0.000013053   0.000003265
 H     -0.668078      0.769533     -1.905757    0.00  -0.000007258  -0.000000746   0.000002611
 O     -0.653078     -1.621983      1.453785    0.00   0.000281962   0.000385035   0.000790302
 C     -1.855262     -1.682662     -1.312640    0.00  -0.000154568   0.000052220  -0.000107772
 H     -1.860701     -2.607878     -0.723567    0.00   0.000009628   0.000029383   0.000022150
 H     -2.793805     -1.647898     -1.876887    0.00  -0.000008911   0.000009146  -0.000047046
 H     -1.034392     -1.765326     -2.039526    0.00  -0.000029329  -0.000025995   0.000002906
 H     -0.671813     -2.499375      0.993132    0.00  -0.000107021  -0.000194597  -0.000074683
 O      0.830936     -0.663441     -0.034643    0.00  -0.000489826  -0.000316714   0.001047486
 O      0.930838     -1.617142     -1.068012    0.00   0.000007452  -0.001945437  -0.002250210
 C      1.541661     -2.798077     -0.504865    0.00  -0.000890620   0.002951249  -0.001059484
 H      2.592367     -2.851919     -0.786051    0.00  -0.000283417   0.001114548  -0.000080960
 O      0.865589     -3.593356      0.084273    0.00   0.002533258  -0.002673124   0.001157287
26
 Energy =      -0.188871181157
 C     -0.267604      1.985596      0.574417    0.00  -0.000164858   0.000060214   0.000080104
 C     -1.481462      2.071678     -0.359850    0.00  -0.000116935   0.000036556   0.000045216
 C     -1.569875      0.835221     -1.263529    0.00  -0.000115712   0.000036015   0.000023881
 C     -1.698814     -0.450466     -0.427223    0.00  -0.000120103   0.000160966   0.000049301
 C     -0.503681     -0.549581      0.540734    0.00  -0.000212625   0.000242233   0.000363625
 C     -0.278143      0.704305      1.411440    0.00  -0.000154133   0.000132943   0.000090493
 H     -2.431183      0.924302     -1.950345    0.00  -0.000006896   0.000002181  -0.000002245
 H     -2.410267      2.177104      0.232924    0.00  -0.000010085   0.000004002   0.000003845
 H     -1.411803      2.985244     -0.980315    0.00  -0.000009544   0.000000836   0.000003866
 H      0.665021      2.022232     -0.025993    0.00  -0.000014174   0.000002783   0.000007640
 H     -0.238696      2.866096      1.243814    0.00  -0.000016050   0.000002722   0.000008394
 H     -2.611825     -0.369493      0.221329    0.00  -0.000011072   0.000028239   0.000003021
 H     -1.076902      0.725381      2.180898    0.00  -0.000014841   0.000003558   0.000008051
 H      0.672018      0.596149      1.974002    0.00  -0.000022578   0.000015227   0.000003745
 H     -0.667989      0.769208     -1.905678    0.00  -0.000008088  -0.000000540   0.000002893
 O     -0.655518     -1.622189      1.454704    0.00   0.000336676   0.000449331   0.000912663
 C     -1.854893     -1.683123     -1.313093    0.00  -0.000182973   0.000058381  -0.000129218
 H     -1.862398     -2.608143     -0.723756    0.00   0.000011320   0.000034127   0.000025816
 H     -2.792621     -1.647712     -1.878722    0.00  -0.000010818   0.000010629  -0.000055140
 H     -1.033093     -1.766239     -2.038695    0.00  -0.000034400  -0.000030324   0.000002978
 H     -0.661868     -2.501201      0.996245    0.00  -0.000127849  -0.000234326  -0.000088449
 O      0.830232     -0.665332     -0.031928    0.00  -0.000534137  -0.000369432   0.001203006
 O      0.938402     -1.613450     -1.068808    0.00  -0.000031433  -0.002346451  -0.002610579
 C      1.537750     -2.802411     -0.515828    0.00  -0.000953886   0.003533082  -0.001169568
 H      2.578969     -2.876439     -0.827653    0.00  -0.000328015   0.001291133  -0.000105550
 O      0.865220     -3.586414      0.092618    0.00   0.002853209  -0.003124084   0.001322211
26
 Energy =      -0.189281402211
 C     -0.267679      1.984980      0.574444    0.00  -0.000184970   0.000069512   0.000090132
 C     -1.481480      2.071256     -0.359844    0.00  -0.000131929   0.000042907   0.000051644
 C     -1.569852      0.834827     -1.263570    0.00  -0.000129790   0.000043172   0.000027139
 C     -1.699102     -0.451011     -0.427489    0.00  -0.000137004   0.000185406   0.000053464
 C     -0.504647     -0.550763      0.540982    0.00  -0.000240593   0.000278599   0.000408634
 C     -0.278406      0.703643      1.411329    0.00  -0.000172688   0.000152017   0.000100272
 H     -2.431081      0.924064     -1.950476    0.00  -0.000007596   0.000002640  -0.000002338
 H     -2.410306      2.176665      0.232906    0.00  -0.000011397   0.000004623   0.000004410
 H     -1.411769      2.984856     -0.980247    0.00  -0.000010710   0.000001123   0.000004459
 H      0.664992      2.021624     -0.025884    0.00  -0.000015770   0.000003131   0.000008549
 H     -0.238717      2.865408      1.243949    0.00  -0.000017991   0.000003221   0.000009525
 H     -2.612450     -0.370215      0.220636    0.00  -0.000012870   0.000032413   0.000003325
 H     -1.076961      0.724724      2.181002    0.00  -0.000016963   0.000004339   0.000009102
 H      0.671891      0.595166      1.973665    0.00  -0.000025462   0.000017324   0.000004190
 H     -0.667913      0.768897     -1.905610    0.00  -0.000008779  -0.000000231   0.000003095
 O     -0.657952     -1.622375      1.455600    0.00   0.000392552   0.000513391   0.001029574
 C     -1.854510     -1.683587     -1.313550    0.00  -0.000211818   0.000064134  -0.000151557
 H     -1.864087     -2.608402     -0.723940    0.00   0.000012934   0.000038698   0.000029316
 H     -2.791421     -1.647541     -1.880562    0.00  -0.000012814   0.000012052  -0.000063120
 H     -1.031796     -1.767157     -2.037878    0.00  -0.000039443  -0.000034375   0.000002964
 H     -0.651644     -2.502956      0.999568    0.00  -0.000148072  -0.000276105  -0.000101919
 O      0.829527     -0.667130     -0.029254    0.00  -0.000569628  -0.000424814   0.001344597
 O      0.946124     -1.609860     -1.069424    0.00  -0.000086818  -0.002754307  -0.002949667
 C      1.533383     -2.806694     -0.526757    0.00  -0.000988445   0.004120840  -0.001246921
 H      2.563852     -2.900698     -0.868964    0.00  -0.000362534   0.001467081  -0.000120118
 O      0.865115     -3.579573      0.100824    0.00   0.003138599  -0.003566793   0.001451251
26
 Energy =      -0.189744121853
 C     -0.267758      1.984371      0.574466    0.00  -0.000204078   0.000078850   0.000099610
 C     -1.481500      2.070836     -0.359839    0.00  -0.000146616   0.000049537   0.000058052
 C     -1.569833      0.834436     -1.263616    0.00  -0.000143494   0.000050629   0.000030010
 C     -1.699386     -0.451557     -0.427766    0.00  -0.000154804   0.000208843   0.000055440
 C     -0.505604     -0.551940      0.541216    0.00  -0.000268783   0.000312780   0.000448334
 C     -0.278670      0.702991      1.411210    0.00  -0.000190589   0.000170601   0.000108593
 H     -2.430992      0.923829     -1.950604    0.00  -0.000008275   0.000003130  -0.000002355
 H     -2.410347      2.176226      0.232888    0.00  -0.000012708   0.000005265   0.000004987
 H     -1.411742      2.984470     -0.980182    0.00  -0.000011826   0.000001461   0.000005077
 H      0.664963      2.021027     -0.025777    0.00  -0.000017228   0.000003470   0.000009390
 H     -0.238744      2.864727      1.244080    0.00  -0.000019827   0.000003752   0.000010634
 H     -2.613070     -0.370948      0.219936    0.00  -0.000014831   0.000036330   0.000003521
 H     -1.077022      0.724065      2.181096    0.00  -0.000019127   0.000005226   0.000010069
 H      0.671761      0.594191      1.973326    0.00  -0.000028171   0.000019312   0.000004592
 H     -0.667849      0.768598     -1.905555    0.00  -0.000009332   0.000000178   0.000003200
 O     -0.660385     -1.622539      1.456476    0.00   0.000449242   0.000576811   0.001140188
 C     -1.854109     -1.684054     -1.314013    0.00  -0.000240930   0.000069629  -0.000174645
 H     -1.865769     -2.608659     -0.724124    0.00   0.000014421   0.000043036   0.000032579
 H     -2.790205     -1.647381     -1.882408    0.00  -0.000014873   0.000013404  -0.000070889
 H     -1.030500     -1.768084     -2.037078    0.00  -0.000044426  -0.000038075   0.000002852
 H     -0.641138     -2.504632      1.003119    0.00  -0.000167249  -0.000319478  -0.000114771
 O      0.828837     -0.668838     -0.026616    0.00  -0.000597448  -0.000484782   0.001469564
 O      0.953987     -1.606374     -1.069869    0.00  -0.000155986  -0.003158905  -0.003261573
 C      1.528564     -2.810911     -0.537641    0.00  -0.000993235   0.004704088  -0.001290480
 H      2.547039     -2.924625     -0.909922    0.00  -0.000385964   0.001638756  -0.000124369
 O      0.865272     -3.572832      0.108885    0.00   0.003386136  -0.003993849   0.001542389
26
 Energy =      -0.190256452978
 C     -0.267839      1.983767      0.574485    0.00  -0.000222109   0.000088179   0.000108456
 C     -1.481527      2.070416     -0.359837    0.00  -0.000161026   0.000056448   0.000064445
 C     -1.569818      0.834046     -1.263669    0.00  -0.000156895   0.000058306   0.000032368
 C     -1.699663     -0.452107     -0.428054    0.00  -0.000173808   0.000230746   0.000054768
 C     -0.506548     -0.553113      0.541435    0.00  -0.000297289   0.000343913   0.000481492
 C     -0.278931      0.702345      1.411083    0.00  -0.000207885   0.000188503   0.000115258
 H     -2.430914      0.923596     -1.950731    0.00  -0.000008955   0.000003648  -0.000002288
 H     -2.410392      2.175786      0.232869    0.00  -0.000014027   0.000005931   0.000005577
 H     -1.411724      2.984085     -0.980119    0.00  -0.000012892   0.000001852   0.000005721
 H      0.664931      2.020443     -0.025671    0.00  -0.000018542   0.000003808   0.000010155
 H     -0.238777      2.864053      1.244208    0.00  -0.000021548   0.000004315   0.000011715
 H     -2.613681     -0.371694      0.219231    0.00  -0.000016989   0.000039888   0.000003586
 H     -1.077087      0.723397      2.181179    0.00  -0.000021339   0.000006235   0.000010937
 H      0.671632      0.593223      1.972986    0.00  -0.000030659   0.000021153   0.000004947
 H     -0.667796      0.768313     -1.905515    0.00  -0.000009749   0.000000686   0.000003191
 O     -0.662822     -1.622682      1.457332    0.00   0.000506354   0.000639169   0.001243707
 C     -1.853693     -1.684525     -1.314484    0.00  -0.000270132   0.000075008  -0.000198306
 H     -1.867442     -2.608916     -0.724306    0.00   0.000015735   0.000047081   0.000035533
 H     -2.788970     -1.647235     -1.884263    0.00  -0.000016964   0.000014674  -0.000078355
 H     -1.029203     -1.769023     -2.036295    0.00  -0.000049315  -0.000041360   0.000002634
 H     -0.630350     -2.506218      1.006916    0.00  -0.000184925  -0.000363913  -0.000126682
 O      0.828175     -0.670457     -0.024008    0.00  -0.000619007  -0.000551170   0.001575624
 O      0.961971     -1.602994     -1.070153    0.00  -0.000235292  -0.003549564  -0.003540624
 C      1.523297     -2.815053     -0.548476    0.00  -0.000968224   0.005271829  -0.001299957
 H      2.528558     -2.948156     -0.950460    0.00  -0.000397680   0.001802400  -0.000118311
 O      0.865686     -3.566187      0.116799    0.00   0.003593163  -0.004397763   0.001594407
26
 Energy =      -0.190814705519
 C     -0.267922      1.983166      0.574500    0.00  -0.000238968   0.000097450   0.000116586
 C     -1.481557      2.069993     -0.359836    0.00  -0.000175182   0.000063651   0.000070810
 C     -1.569809      0.833654     -1.263725    0.00  -0.000170070   0.000066117   0.000034088
 C     -1.699926     -0.452661     -0.428357    0.00  -0.000194314   0.000250575   0.000051017
 C     -0.507469     -0.554283      0.541635    0.00  -0.000326110   0.000371108   0.000506949
 C     -0.279191      0.701704      1.410948    0.00  -0.000224586   0.000205494   0.000120096
 H     -2.430846      0.923360     -1.950856    0.00  -0.000009656   0.000004192  -0.000002129
 H     -2.410441      2.175339      0.232850    0.00  -0.000015366   0.000006622   0.000006185
 H     -1.411714      2.983697     -0.980057    0.00  -0.000013907   0.000002299   0.000006396
 H      0.664898      2.019869     -0.025568    0.00  -0.000019705   0.000004151   0.000010832
 H     -0.238817      2.863380      1.244333    0.00  -0.000023146   0.000004912   0.000012760
 H     -2.614276     -0.372456      0.218519    0.00  -0.000019375   0.000042986   0.000003494
 H     -1.077153      0.722717      2.181249    0.00  -0.000023592   0.000007372   0.000011690
 H      0.671502      0.592262      1.972645    0.00  -0.000032881   0.000022810   0.000005254
 H     -0.667752      0.768040     -1.905489    0.00  -0.000010033   0.000001292   0.000003054
 O     -0.665271     -1.622805      1.458170    0.00   0.000563469   0.000700046   0.001339373
 C     -1.853260     -1.685004     -1.314964    0.00  -0.000299241   0.000080382  -0.000222378
 H     -1.869106     -2.609173     -0.724491    0.00   0.000016828   0.000050771   0.000038114
 H     -2.787717     -1.647100     -1.886130    0.00  -0.000019058   0.000015848  -0.000085419
 H     -1.027905     -1.769977     -2.035532    0.00  -0.000054073  -0.000044174   0.000002296
 H     -0.619279     -2.507705      1.010978    0.00  -0.000200646  -0.000408821  -0.000137337
 O      0.827559     -0.671992     -0.021422    0.00  -0.000635941  -0.000625657   0.001661011
 O      0.970053     -1.599718     -1.070288    0.00  -0.000320340  -0.003915348  -0.003781546
 C      1.517582     -2.819112     -0.559249    0.00  -0.000914376   0.005812836  -0.001275876
 H      2.508446     -2.971230     -0.990518    0.00  -0.000397455   0.001954259  -0.000102270
 O      0.866353     -3.559635      0.124562    0.00   0.003757724  -0.004771174   0.001606951
26
 Energy =      -0.191414413399
 C     -0.268010      1.982566      0.574511    0.00  -0.000254550   0.000106603   0.000123899
 C     -1.481590      2.069564     -0.359838    0.00  -0.000189096   0.000071152   0.000077131
 C     -1.569799      0.833260     -1.263790    0.00  -0.000183099   0.000073973   0.000035038
 C     -1.700173     -0.453225     -0.428676    0.00  -0.000216569   0.000267757   0.000043770
 C     -0.508362     -0.555455      0.541815    0.00  -0.000355144   0.000393463   0.000523676
 C     -0.279446      0.701064      1.410803    0.00  -0.000240634   0.000221318   0.000122974
 H     -2.430787      0.923119     -1.950979    0.00  -0.000010404   0.000004759  -0.000001875
 H     -2.410494      2.174884      0.232829    0.00  -0.000016738   0.000007343   0.000006814
 H     -1.411714      2.983306     -0.979996    0.00  -0.000014865   0.000002811   0.000007105
 H      0.664862      2.019303     -0.025469    0.00  -0.000020707   0.000004504   0.000011414
 H     -0.238865      2.862707      1.244455    0.00  -0.000024606   0.000005544   0.000013756
 H     -2.614848     -0.373240      0.217803    0.00  -0.000022017   0.000045529   0.000003220
 H     -1.077222      0.722020      2.181304    0.00  -0.000025876   0.000008645   0.000012311
 H      0.671372      0.591308      1.972303    0.00  -0.000034791   0.000024241   0.000005512
 H     -0.667718      0.767778     -1.905480    0.00  -0.000010187   0.000001993   0.000002772
 O     -0.667737     -1.622905      1.458992    0.00   0.000620138   0.000759033   0.001426500
 C     -1.852807     -1.685492     -1.315458    0.00  -0.000328083   0.000085829  -0.000246676
 H     -1.870758     -2.609433     -0.724679    0.00   0.000017657   0.000054043   0.000040251
 H     -2.786444     -1.646977     -1.888009    0.00  -0.000021121   0.000016906  -0.000091988
 H     -1.026603     -1.770951     -2.034790    0.00  -0.000058660  -0.000046462   0.000001827
 H     -0.607923     -2.509081      1.015324    0.00  -0.000213985  -0.000453567  -0.000146458
 O      0.827005     -0.673446     -0.018848    0.00  -0.000650050  -0.000709587   0.001724558
 O      0.978212     -1.596543     -1.070283    0.00  -0.000406197  -0.004245480  -0.003979579
 C      1.511426     -2.823078     -0.569956    0.00  -0.000833559   0.006315972  -0.001219629
 H      2.486741     -2.993794     -1.030037    0.00  -0.000385483   0.002090711  -0.000076888
 O      0.867270     -3.553170      0.132172    0.00   0.003878627  -0.005107033   0.001580564
26
 Energy =      -0.192050385657
 C     -0.268100      1.981964      0.574518    0.00  -0.000268716   0.000115573   0.000130293
 C     -1.481629      2.069126     -0.359843    0.00  -0.000202778   0.000078962   0.000083386
 C     -1.569792      0.832861     -1.263860    0.00  -0.000196056   0.000081772   0.000035067
 C     -1.700396     -0.453800     -0.429012    0.00  -0.000240789   0.000281726   0.000032661
 C     -0.509221     -0.556628      0.541975    0.00  -0.000384157   0.000410092   0.000530788
 C     -0.279696      0.700424      1.410648    0.00  -0.000255917   0.000235674   0.000123781
 H     -2.430739      0.922870     -1.951100    0.00  -0.000011221   0.000005346  -0.000001517
 H     -2.410551      2.174415      0.232807    0.00  -0.000018154   0.000008099   0.000007465
 H     -1.411723      2.982909     -0.979937    0.00  -0.000015766   0.000003390   0.000007854
 H      0.664823      2.018744     -0.025372    0.00  -0.000021539   0.000004877   0.000011886
 H     -0.238921      2.862033      1.244576    0.00  -0.000025910   0.000006216   0.000014688
 H     -2.615391     -0.374048      0.217083    0.00  -0.000024933   0.000047425   0.000002744
 H     -1.077294      0.721304      2.181342    0.00  -0.000028170   0.000010050   0.000012789
 H      0.671242      0.590361      1.971962    0.00  -0.000036333   0.000025403   0.000005726
 H     -0.667692      0.767527     -1.905489    0.00  -0.000010214   0.000002786   0.000002327
 O     -0.670229     -1.622982      1.459799    0.00   0.000675885   0.000815740   0.001504464
 C     -1.852335     -1.685991     -1.315968    0.00  -0.000356481   0.000091362  -0.000271035
 H     -1.872397     -2.609696     -0.724874    0.00   0.000018175   0.000056836   0.000041884
 H     -2.785149     -1.646865     -1.889906    0.00  -0.000023122   0.000017828  -0.000097961
 H     -1.025295     -1.771949     -2.034072    0.00  -0.000063035  -0.000048180   0.000001213
 H     -0.596280     -2.510334      1.019978    0.00  -0.000224554  -0.000497499  -0.000153802
 O      0.826530     -0.674825     -0.016279    0.00  -0.000663240  -0.000803917   0.001765820
 O      0.986420     -1.593464     -1.070151    0.00  -0.000487618  -0.004529668  -0.004130640
 C      1.504831     -2.826946     -0.580588    0.00  -0.000728454   0.006770532  -0.001133456
 H      2.463490     -3.015801     -1.068961    0.00  -0.000362363   0.002208404  -0.000043084
 O      0.868437     -3.546789      0.139626    0.00   0.003955462  -0.005398827   0.001516660
26
 Energy =      -0.192716782029
 C     -0.268194      1.981359      0.574520    0.00  -0.000281298   0.000124287   0.000135645
 C     -1.481673      2.068679     -0.359851    0.00  -0.000216230   0.000087091   0.000089539
 C     -1.569784      0.832454     -1.263939    0.00  -0.000209020   0.000089400   0.000034022
 C     -1.700589     -0.454390     -0.429368    0.00  -0.000267124   0.000291910   0.000017365
 C     -0.510036     -0.557802      0.542111    0.00  -0.000412774   0.000420119   0.000527656
 C     -0.279942      0.699781      1.410480    0.00  -0.000270248   0.000248220   0.000122444
 H     -2.430699      0.922608     -1.951219    0.00  -0.000012129   0.000005948  -0.000001058
 H     -2.410614      2.173931      0.232783    0.00  -0.000019626   0.000008893   0.000008142
 H     -1.411745      2.982503     -0.979878    0.00  -0.000016602   0.000004042   0.000008646
 H      0.664783      2.018190     -0.025280    0.00  -0.000022191   0.000005270   0.000012240
 H     -0.238986      2.861354      1.244693    0.00  -0.000027037   0.000006928   0.000015539
 H     -2.615895     -0.374887      0.216361    0.00  -0.000028141   0.000048596   0.000002045
 H     -1.077368      0.720563      2.181360    0.00  -0.000030440   0.000011580   0.000013113
 H      0.671113      0.589422      1.971622    0.00  -0.000037453   0.000026251   0.000005900
 H     -0.667673      0.767288     -1.905519    0.00  -0.000010118   0.000003666   0.000001703
 O     -0.672754     -1.623036      1.460593    0.00   0.000730211   0.000869834   0.001572698
 C     -1.851842     -1.686503     -1.316496    0.00  -0.000384275   0.000096926  -0.000295296
 H     -1.874022     -2.609965     -0.725076    0.00   0.000018345   0.000059088   0.000042956
 H     -2.783831     -1.646764     -1.891822    0.00  -0.000025032   0.000018588  -0.000103240
 H     -1.023981     -1.772975     -2.033381    0.00  -0.000067153  -0.000049284   0.000000439
 H     -0.584344     -2.511450      1.024963    0.00  -0.000232023  -0.000539976  -0.000159188
 O      0.826152     -0.676135     -0.013701    0.00  -0.000677453  -0.000909064   0.001785092
 O      0.994652     -1.590475     -1.069903    0.00  -0.000559360  -0.004758509  -0.004231433
 C      1.497804     -2.830710     -0.591138    0.00  -0.000602368   0.007166580  -0.001020416
 H      2.438740     -3.037211     -1.107234    0.00  -0.000329068   0.002304369  -0.000002073
 O      0.869846     -3.540485      0.146919    0.00   0.003988607  -0.005640755   0.001417519
26
 Energy =      -0.193407212209
 C     -0.268292      1.980749      0.574516    0.00  -0.000292101   0.000132661   0.000139816
 C     -1.481722      2.068218     -0.359861    0.00  -0.000229435   0.000095541   0.000095541
 C     -1.569774      0.832038     -1.264028    0.00  -0.000222056   0.000096732   0.000031727
 C     -1.700746     -0.454999     -0.429747    0.00  -0.000295637   0.000297763  -0.000002374
 C     -0.510800     -0.558981      0.542220    0.00  -0.000440534   0.000422730   0.000513915
 C     -0.280179      0.699133      1.410300    0.00  -0.000283349   0.000258563   0.000118938
 H     -2.430668      0.922330     -1.951336    0.00  -0.000013152   0.000006561  -0.000000494
 H     -2.410683      2.173424      0.232757    0.00  -0.000021167   0.000009729   0.000008846
 H     -1.411779      2.982087     -0.979820    0.00  -0.000017366   0.000004779   0.000009484
 H      0.664738      2.017640     -0.025193    0.00  -0.000022648   0.000005689   0.000012463
 H     -0.239060      2.860669      1.244807    0.00  -0.000027958   0.000007685   0.000016287
 H     -2.616353     -0.375761      0.215637    0.00  -0.000031645   0.000048974   0.000001106
 H     -1.077446      0.719793      2.181355    0.00  -0.000032639   0.000013212   0.000013271
 H      0.670986      0.588494      1.971286    0.00  -0.000038092   0.000026738   0.000006039
 H     -0.667659      0.767060     -1.905572    0.00  -0.000009901   0.000004632   0.000000884
 O     -0.675322     -1.623065      1.461376    0.00   0.000782604   0.000921024   0.001630717
 C     -1.851326     -1.687031     -1.317047    0.00  -0.000411312   0.000102372  -0.000319312
 H     -1.875628     -2.610242     -0.725288    0.00   0.000018125   0.000060739   0.000043409
 H     -2.782487     -1.646674     -1.893757    0.00  -0.000026824   0.000019157  -0.000107727
 H     -1.022655     -1.774031     -2.032718    0.00  -0.000070965  -0.000049735  -0.000000511
 H     -0.572108     -2.512414      1.030306    0.00  -0.000236129  -0.000580386  -0.000162505
 O      0.825886     -0.677381     -0.011103    0.00  -0.000694582  -0.001024804   0.001783453
 O      1.002877     -1.587570     -1.069551    0.00  -0.000616434  -0.004923830  -0.004279563
 C      1.490347     -2.834365     -0.601598    0.00  -0.000459092   0.007495251  -0.000884349
 H      2.412543     -3.057986     -1.144808    0.00  -0.000286904   0.002376139   0.000044704
 O      0.871498     -3.534255      0.154050    0.00   0.003979195  -0.005827915   0.001286234
26
 Energy =      -0.194114857358
 C     -0.268393      1.980134      0.574505    0.00  -0.000300890   0.000140596   0.000142648
 C     -1.481777      2.067740     -0.359875    0.00  -0.000242362   0.000104316   0.000101324
 C     -1.569760      0.831609     -1.264128    0.00  -0.000235225   0.000103636   0.000027996
 C     -1.700858     -0.455629     -0.430151    0.00  -0.000326322   0.000298751  -0.000026733
 C     -0.511503     -0.560162      0.542303    0.00  -0.000466795   0.000417207   0.000489563
 C     -0.280408      0.698480      1.410108    0.00  -0.000294858   0.000266255   0.000113262
 H     -2.430644      0.922030     -1.951451    0.00  -0.000014311   0.000007179   0.000000170
 H     -2.410757      2.172889      0.232730    0.00  -0.000022792   0.000010611   0.000009579
 H     -1.411828      2.981657     -0.979762    0.00  -0.000018048   0.000005603   0.000010375
 H      0.664690      2.017094     -0.025112    0.00  -0.000022894   0.000006136   0.000012543
 H     -0.239146      2.859977      1.244916    0.00  -0.000028645   0.000008489   0.000016906
 H     -2.616755     -0.376675      0.214912    0.00  -0.000035436   0.000048511  -0.000000092
 H     -1.077528      0.718993      2.181327    0.00  -0.000034711   0.000014915   0.000013257
 H      0.670858      0.587578      1.970955    0.00  -0.000038194   0.000026817   0.000006155
 H     -0.667650      0.766843     -1.905652    0.00  -0.000009565   0.000005670  -0.000000151
 O     -0.677943     -1.623070      1.462147    0.00   0.000832514   0.000969101   0.001678098
 C     -1.850783     -1.687578     -1.317622    0.00  -0.000437449   0.000107473  -0.000342961
 H     -1.877212     -2.610530     -0.725513    0.00   0.000017478   0.000061721   0.000043197
 H     -2.781114     -1.646596     -1.895716    0.00  -0.000028473   0.000019501  -0.000111322
 H     -1.021317     -1.775125     -2.032089    0.00  -0.000074419  -0.000049502  -0.000001660
 H     -0.559559     -2.513207      1.036038    0.00  -0.000236693  -0.000618191  -0.000163719
 O      0.825753     -0.678575     -0.008472    0.00  -0.000716405  -0.001150208   0.001762753
 O      1.011064     -1.584742     -1.069108    0.00  -0.000654397  -0.005018998  -0.004273641
 C      1.482466     -2.837905     -0.611963    0.00  -0.000302756   0.007749026  -0.000729731
 H      2.384953     -3.078095     -1.181634    0.00  -0.000237448   0.002421846   0.000095612
 O      0.873390     -3.528090      0.161015    0.00   0.003929099  -0.005956462   0.001126568
26
 Energy =      -0.194832611578
 C     -0.268499      1.979509      0.574488    0.00  -0.000307396   0.000147981   0.000143963
 C     -1.481839      2.067241     -0.359894    0.00  -0.000254968   0.000113407   0.000106801
 C     -1.569739      0.831164     -1.264242    0.00  -0.000248580   0.000109943   0.000022622
 C     -1.700915     -0.456287     -0.430583    0.00  -0.000359024   0.000294417  -0.000055792
 C     -0.512135     -0.561346      0.542358    0.00  -0.000490818   0.000402935   0.000454932
 C     -0.280626      0.697820      1.409900    0.00  -0.000304328   0.000270816   0.000105469
 H     -2.430629      0.921705     -1.951563    0.00  -0.000015622   0.000007795   0.000000928
 H     -2.410839      2.172322      0.232699    0.00  -0.000024508   0.000011542   0.000010340
 H     -1.411895      2.981211     -0.979705    0.00  -0.000018635   0.000006529   0.000011323
 H      0.664636      2.016550     -0.025039    0.00  -0.000022916   0.000006606   0.000012466
 H     -0.239244      2.859276      1.245020    0.00  -0.000029056   0.000009344   0.000017366
 H     -2.617088     -0.377638      0.214187    0.00  -0.000039499   0.000047179  -0.000001556
 H     -1.077613      0.718159      2.181271    0.00  -0.000036587   0.000016646   0.000013061
 H      0.670732      0.586678      1.970633    0.00  -0.000037701   0.000026443   0.000006253
 H     -0.667647      0.766638     -1.905763    0.00  -0.000009109   0.000006777  -0.000001415
 O     -0.680628     -1.623046      1.462910    0.00   0.000879340   0.001013934   0.001714542
 C     -1.850210     -1.688148     -1.318226    0.00  -0.000462553   0.000111870  -0.000366139
 H     -1.878767     -2.610831     -0.725753    0.00   0.000016371   0.000061968   0.000042274
 H     -2.779711     -1.646531     -1.897698    0.00  -0.000029966   0.000019578  -0.000113925
 H     -1.019964     -1.776260     -2.031500    0.00  -0.000077456  -0.000048555  -0.000003024
 H     -0.546678     -2.513812      1.042192    0.00  -0.000233618  -0.000652938  -0.000162888
 O      0.825772     -0.679723     -0.005790    0.00  -0.000744465  -0.001283535   0.001725573
 O      1.019175     -1.581980     -1.068586    0.00  -0.000669605  -0.005039219  -0.004213335
 C      1.474164     -2.841326     -0.622225    0.00  -0.000137662   0.007922006  -0.000561664
 H      2.356027     -3.097510     -1.217663    0.00  -0.000182476   0.002440291   0.000148887
 O      0.875522     -3.521987      0.167808    0.00   0.003840837  -0.006023758   0.000942938
26
 Energy =      -0.195553240165
 C     -0.268609      1.978875      0.574463    0.00  -0.000311324   0.000154687   0.000143570
 C     -1.481908      2.066718     -0.359919    0.00  -0.000267169   0.000122786   0.000111854
 C     -1.569709      0.830701     -1.264370    0.00  -0.000262142   0.000115476   0.000015395
 C     -1.700907     -0.456973     -0.431046    0.00  -0.000393462   0.000284371  -0.000089495
 C     -0.512684     -0.562530      0.542385    0.00  -0.000511760   0.000379490   0.000410802
 C     -0.280831      0.697153      1.409680    0.00  -0.000311201   0.000271700   0.000095654
 H     -2.430621      0.921344     -1.951674    0.00  -0.000017104   0.000008399   0.000001761
 H     -2.410928      2.171713      0.232665    0.00  -0.000026331   0.000012528   0.000011130
 H     -1.411984      2.980744     -0.979647    0.00  -0.000019110   0.000007560   0.000012328
 H      0.664578      2.016007     -0.024976    0.00  -0.000022691   0.000007099   0.000012221
 H     -0.239357      2.858566      1.245116    0.00  -0.000029155   0.000010252   0.000017629
 H     -2.617340     -0.378654      0.213463    0.00  -0.000043790   0.000044977  -0.000003296
 H     -1.077704      0.717288      2.181184    0.00  -0.000038177   0.000018347   0.000012679
 H      0.670607      0.585801      1.970321    0.00  -0.000036563   0.000025572   0.000006335
 H     -0.667645      0.766447     -1.905910    0.00  -0.000008539   0.000007935  -0.000002925
 O     -0.683389     -1.622995      1.463662    0.00   0.000922441   0.001055497   0.001739818
 C     -1.849602     -1.688744     -1.318862    0.00  -0.000486490   0.000115107  -0.000388762
 H     -1.880287     -2.611146     -0.726010    0.00   0.000014768   0.000061402   0.000040595
 H     -2.778275     -1.646478     -1.899702    0.00  -0.000031297   0.000019347  -0.000115433
 H     -1.018593     -1.777440     -2.030955    0.00  -0.000080011  -0.000046874  -0.000004631
 H     -0.533441     -2.514204      1.048806    0.00  -0.000226905  -0.000684293  -0.000160153
 O      0.825960     -0.680840     -0.003041    0.00  -0.000780024  -0.001422239   0.001675131
 O      1.027172     -1.579276     -1.067999    0.00  -0.000659418  -0.004981746  -0.004099458
 C      1.465448     -2.844621     -0.632378    0.00   0.000031822   0.008010088  -0.000385635
 H      2.325825     -3.116207     -1.252853    0.00  -0.000123887   0.002431007   0.000202679
 O      0.877892     -3.515939      0.174424    0.00   0.003717520  -0.006028474   0.000740209
26
 Energy =      -0.196269551848
 C     -0.268724      1.978232      0.574429    0.00  -0.000312331   0.000160568   0.000141248
 C     -1.481985      2.066166     -0.359949    0.00  -0.000278864   0.000132418   0.000116340
 C     -1.569666      0.830216     -1.264518    0.00  -0.000275914   0.000120028   0.000006078
 C     -1.700820     -0.457694     -0.431544    0.00  -0.000429184   0.000268323  -0.000127627
 C     -0.513138     -0.563711      0.542383    0.00  -0.000528667   0.000346672   0.000358402
 C     -0.281021      0.696480      1.409445    0.00  -0.000314864   0.000268366   0.000083952
 H     -2.430618      0.920944     -1.951782    0.00  -0.000018769   0.000008979   0.000002646
 H     -2.411027      2.171054      0.232626    0.00  -0.000028265   0.000013566   0.000011944
 H     -1.412097      2.980255     -0.979590    0.00  -0.000019455   0.000008707   0.000013394
 H      0.664514      2.015469     -0.024924    0.00  -0.000022203   0.000007603   0.000011792
 H     -0.239485      2.857847      1.245201    0.00  -0.000028892   0.000011214   0.000017656
 H     -2.617497     -0.379733      0.212742    0.00  -0.000048252   0.000041935  -0.000005314
 H     -1.077800      0.716380      2.181066    0.00  -0.000039390   0.000019944   0.000012108
 H      0.670484      0.584950      1.970027    0.00  -0.000034734   0.000024168   0.000006404
 H     -0.667644      0.766269     -1.906096    0.00  -0.000007859   0.000009121  -0.000004691
 O     -0.686241     -1.622912      1.464405    0.00   0.000961031   0.001093896   0.001753830
 C     -1.848953     -1.689368     -1.319535    0.00  -0.000509129   0.000116605  -0.000410761
 H     -1.881760     -2.611481     -0.726288    0.00   0.000012640   0.000059937   0.000038126
 H     -2.776801     -1.646441     -1.901728    0.00  -0.000032468   0.000018761  -0.000115742
 H     -1.017200     -1.778671     -2.030463    0.00  -0.000082009  -0.000044450  -0.000006507
 H     -0.519812     -2.514360      1.055927    0.00  -0.000216570  -0.000712093  -0.000155747
 O      0.826338     -0.681937     -0.000203    0.00  -0.000823964  -0.001562951   0.001615161
 O      1.035008     -1.576619     -1.067361    0.00  -0.000622342  -0.004846056  -0.003934008
 C      1.456322     -2.847782     -0.642414    0.00   0.000201347   0.008011154  -0.000207402
 H      2.294410     -3.134161     -1.287158    0.00  -0.000063638   0.002394287   0.000255126
 O      0.880500     -3.509942      0.180856    0.00   0.003562746  -0.005970701   0.000523591
26
 Energy =      -0.196974579697
 C     -0.268844      1.977578      0.574382    0.00  -0.000310056   0.000165456   0.000136765
 C     -1.482071      2.065579     -0.359987    0.00  -0.000289898   0.000142229   0.000120075
 C     -1.569606      0.829704     -1.264685    0.00  -0.000289855   0.000123356  -0.000005559
 C     -1.700638     -0.458454     -0.432080    0.00  -0.000465529   0.000246131  -0.000169775
 C     -0.513483     -0.564886      0.542355    0.00  -0.000540536   0.000304554   0.000299420
 C     -0.281193      0.695802      1.409198    0.00  -0.000314633   0.000260265   0.000070551
 H     -2.430620      0.920494     -1.951888    0.00  -0.000020624   0.000009521   0.000003545
 H     -2.411135      2.170336      0.232581    0.00  -0.000030315   0.000014658   0.000012775
 H     -1.412242      2.979739     -0.979533    0.00  -0.000019647   0.000009975   0.000014516
 H      0.664443      2.014934     -0.024886    0.00  -0.000021435   0.000008113   0.000011169
 H     -0.239632      2.857120      1.245273    0.00  -0.000028219   0.000012230   0.000017405
 H     -2.617541     -0.380883      0.212021    0.00  -0.000052798   0.000038121  -0.000007601
 H     -1.077901      0.715434      2.180912    0.00  -0.000040117   0.000021355   0.000011341
 H      0.670363      0.584137      1.969756    0.00  -0.000032178   0.000022204   0.000006455
 H     -0.667642      0.766109     -1.906332    0.00  -0.000007085   0.000010301  -0.000006719
 O     -0.689199     -1.622798      1.465137    0.00   0.000994247   0.001129362   0.001756610
 C     -1.848253     -1.690026     -1.320248    0.00  -0.000530321   0.000115671  -0.000432066
 H     -1.883171     -2.611837     -0.726586    0.00   0.000009955   0.000057472   0.000034830
 H     -2.775288     -1.646422     -1.903771    0.00  -0.000033500   0.000017774  -0.000114747
 H     -1.015784     -1.779957     -2.030036    0.00  -0.000083368  -0.000041289  -0.000008681
 H     -0.505745     -2.514248      1.063605    0.00  -0.000202740  -0.000736330  -0.000149980
 O      0.826924     -0.683036      0.002744    0.00  -0.000876679  -0.001701536   0.001549764
 O      1.042635     -1.574000     -1.066686    0.00  -0.000558164  -0.004633988  -0.003720191
 C      1.446792     -2.850798     -0.652325    0.00   0.000366643   0.007925229  -0.000032831
 H      2.261850     -3.151348     -1.320537    0.00  -0.000003653   0.002331183   0.000304415
 O      0.883348     -3.503990      0.187097    0.00   0.003380504  -0.005852019   0.000298512
26
 Energy =      -0.197661768905
 C     -0.268969      1.976916      0.574322    0.00  -0.000304121   0.000169170   0.000129886
 C     -1.482167      2.064953     -0.360036    0.00  -0.000300063   0.000152120   0.000122831
 C     -1.569523      0.829162     -1.264879    0.00  -0.000303884   0.000125185  -0.000019741
 C     -1.700347     -0.459256     -0.432659    0.00  -0.000501603   0.000217851  -0.000215279
 C     -0.513706     -0.566049      0.542303    0.00  -0.000546348   0.000253546   0.000236035
 C     -0.281344      0.695124      1.408941    0.00  -0.000309774   0.000246899   0.000055683
 H     -2.430624      0.919985     -1.951992    0.00  -0.000022672   0.000010004   0.000004398
 H     -2.411256      2.169545      0.232531    0.00  -0.000032478   0.000015799   0.000013614
 H     -1.412424      2.979191     -0.979477    0.00  -0.000019661   0.000011366   0.000015686
 H      0.664365      2.014404     -0.024864    0.00  -0.000020373   0.000008611   0.000010339
 H     -0.239800      2.856388      1.245325    0.00  -0.000027092   0.000013295   0.000016826
 H     -2.617453     -0.382111      0.211304    0.00  -0.000057310   0.000033637  -0.000010141
 H     -1.078008      0.714455      2.180723    0.00  -0.000040244   0.000022478   0.000010381
 H      0.670246      0.583373      1.969514    0.00  -0.000028882   0.000019673   0.000006471
 H     -0.667635      0.765969     -1.906624    0.00  -0.000006232   0.000011429  -0.000009003
 O     -0.692283     -1.622648      1.465859    0.00   0.001021054   0.001162284   0.001748343
 C     -1.847494     -1.690722     -1.321005    0.00  -0.000549894   0.000111507  -0.000452592
 H     -1.884500     -2.612217     -0.726909    0.00   0.000006688   0.000053890   0.000030672
 H     -2.773733     -1.646426     -1.905824    0.00  -0.000034435   0.000016339  -0.000112346
 H     -1.014345     -1.781301     -2.029687    0.00  -0.000083989  -0.000037414  -0.000011185
 H     -0.491177     -2.513830      1.071904    0.00  -0.000185552  -0.000757188  -0.000143223
 O      0.827737     -0.684156      0.005828    0.00  -0.000938006  -0.001833147   0.001483141
 O      1.049994     -1.571408     -1.065990    0.00  -0.000467955  -0.004349853  -0.003462425
 C      1.436867     -2.853658     -0.662104    0.00   0.000523521   0.007754586   0.000132408
 H      2.228222     -3.167746     -1.352947    0.00   0.000054219   0.002243499   0.000348828
 O      0.886438     -3.498080      0.193134    0.00   0.003175086  -0.005675565   0.000070393
26
 Energy =      -0.198325167767
 C     -0.269099      1.976245      0.574245    0.00  -0.000294160   0.000171514   0.000120373
 C     -1.482274      2.064282     -0.360097    0.00  -0.000309086   0.000161934   0.000124331
 C     -1.569408      0.828585     -1.265103    0.00  -0.000317845   0.000125204  -0.000036669
 C     -1.699923     -0.460106     -0.433283    0.00  -0.000536249   0.000183749  -0.000263173
 C     -0.513790     -0.567191      0.542233    0.00  -0.000545077   0.000194472   0.000170831
 C     -0.281466      0.694452      1.408674    0.00  -0.000299592   0.000227884   0.000039625
 H     -2.430626      0.919406     -1.952097    0.00  -0.000024904   0.000010407   0.000005131
 H     -2.411389      2.168668      0.232472    0.00  -0.000034737   0.000016979   0.000014436
 H     -1.412650      2.978609     -0.979422    0.00  -0.000019470   0.000012879   0.000016894
 H      0.664278      2.013885     -0.024864    0.00  -0.000019011   0.000009083   0.000009293
 H     -0.239993      2.855657      1.245352    0.00  -0.000025460   0.000014398   0.000015873
 H     -2.617215     -0.383427      0.210587    0.00  -0.000061645   0.000028634  -0.000012901
 H     -1.078120      0.713446      2.180496    0.00  -0.000039657   0.000023206   0.000009223
 H      0.670135      0.582672      1.969310    0.00  -0.000024845   0.000016581   0.000006427
 H     -0.667618      0.765851     -1.906980    0.00  -0.000005341   0.000012431  -0.000011529
 O     -0.695511     -1.622463      1.466564    0.00   0.001040175   0.001193264   0.001729358
 C     -1.846663     -1.691461     -1.321810    0.00  -0.000567646   0.000103236  -0.000472226
 H     -1.885717     -2.612628     -0.727255    0.00   0.000002807   0.000049054   0.000025626
 H     -2.772130     -1.646462     -1.907874    0.00  -0.000035331   0.000014416  -0.000108431
 H     -1.012877     -1.782704     -2.029433    0.00  -0.000083760  -0.000032879  -0.000014052
 H     -0.476026     -2.513058      1.080897    0.00  -0.000165110  -0.000775084  -0.000135888
 O      0.828793     -0.685322      0.009073    0.00  -0.001007151  -0.001952460   0.001419462
 O      1.057020     -1.568834     -1.065289    0.00  -0.000354095  -0.004000405  -0.003166395
 C      1.426560     -2.856347     -0.671742    0.00   0.000667985   0.007503815   0.000282957
 H      2.193611     -3.183327     -1.384344    0.00   0.000108267   0.002133758   0.000386824
 O      0.889774     -3.492209      0.198955    0.00   0.002950938  -0.005446070  -0.000155398
26
 Energy =      -0.198959618142
 C     -0.269233      1.975572      0.574147    0.00  -0.000279839   0.000172274   0.000108018
 C     -1.482393      2.063560     -0.360173    0.00  -0.000316618   0.000171469   0.000124248
 C     -1.569254      0.827969     -1.265363    0.00  -0.000331507   0.000123053  -0.000056482
 C     -1.699347     -0.461004     -0.433958    0.00  -0.000568028   0.000144382  -0.000312154
 C     -0.513722     -0.568304      0.542152    0.00  -0.000535802   0.000128603   0.000106769
 C     -0.281556      0.693794      1.408404    0.00  -0.000283456   0.000203001   0.000022677
 H     -2.430621      0.918745     -1.952204    0.00  -0.000027303   0.000010700   0.000005641
 H     -2.411537      2.167689      0.232401    0.00  -0.000037063   0.000018185   0.000015217
 H     -1.412934      2.977988     -0.979370    0.00  -0.000019045   0.000014500   0.000018110
 H      0.664184      2.013379     -0.024889    0.00  -0.000017349   0.000009512   0.000008025
 H     -0.240213      2.854934      1.245344    0.00  -0.000023293   0.000015524   0.000014502
 H     -2.616804     -0.384838      0.209869    0.00  -0.000065619   0.000023305  -0.000015832
 H     -1.078236      0.712419      2.180232    0.00  -0.000038247   0.000023426   0.000007868
 H      0.670030      0.582054      1.969154    0.00  -0.000020102   0.000012969   0.000006286
 H     -0.667586      0.765761     -1.907411    0.00  -0.000004458   0.000013219  -0.000014261
 O     -0.698907     -1.622242      1.467250    0.00   0.001050063   0.001223137   0.001700154
 C     -1.845743     -1.692244     -1.322666    0.00  -0.000583323   0.000089929  -0.000490788
 H     -1.886784     -2.613070     -0.727626    0.00  -0.000001712   0.000042812   0.000019667
 H     -2.770480     -1.646539     -1.909904    0.00  -0.000036275   0.000011975  -0.000102904
 H     -1.011381     -1.784165     -2.029295    0.00  -0.000082551  -0.000027766  -0.000017315
 H     -0.460187     -2.511876      1.090676    0.00  -0.000141454  -0.000790657  -0.000128408
 O      0.830107     -0.686567      0.012513    0.00  -0.001082583  -0.002053837   0.001362526
 O      1.063634     -1.566269     -1.064601    0.00  -0.000220213  -0.003594897  -0.002838977
 C      1.415886     -2.858848     -0.681228    0.00   0.000796211   0.007179934   0.000414074
 H      2.158120     -3.198059     -1.414682    0.00   0.000156969   0.002005158   0.000417088
 O      0.893356     -3.486378      0.204542    0.00   0.002712600  -0.005169912  -0.000373749
26
 Energy =       -0.19956094193
 C     -0.269371      1.974903      0.574026    0.00  -0.000260921   0.000171249   0.000092663
 C     -1.482525      2.062781     -0.360269    0.00  -0.000322211   0.000180436   0.000122199
 C     -1.569048      0.827308     -1.265665    0.00  -0.000344540   0.000118357  -0.000079221
 C     -1.698593     -0.461953     -0.434685    0.00  -0.000595217   0.000100637  -0.000360540
 C     -0.513487     -0.569373      0.542072    0.00  -0.000517776   0.000057707   0.000047059
 C     -0.281607      0.693162      1.408134    0.00  -0.000260902   0.000172298   0.000005168
 H     -2.430600      0.917987     -1.952317    0.00  -0.000029839   0.000010850   0.000005799
 H     -2.411701      2.166591      0.232318    0.00  -0.000039405   0.000019393   0.000015913
 H     -1.413284      2.977325     -0.979321    0.00  -0.000018364   0.000016206   0.000019294
 H      0.664080      2.012894     -0.024944    0.00  -0.000015396   0.000009873   0.000006537
 H     -0.240463      2.854231      1.245291    0.00  -0.000020571   0.000016647   0.000012678
 H     -2.616199     -0.386352      0.209147    0.00  -0.000069019   0.000017883  -0.000018862
 H     -1.078353      0.711389      2.179931    0.00  -0.000035927   0.000023033   0.000006317
 H      0.669937      0.581543      1.969057    0.00  -0.000014720   0.000008907   0.000005996
 H     -0.667527      0.765702     -1.907926    0.00  -0.000003652   0.000013677  -0.000017144
 O     -0.702497     -1.621988      1.467908    0.00   0.001048810   0.001253044   0.001661351
 C     -1.844713     -1.693079     -1.323573    0.00  -0.000596606   0.000070667  -0.000507995
 H     -1.887647     -2.613550     -0.728016    0.00  -0.000006887   0.000034996   0.000012780
 H     -2.768779     -1.646674     -1.911887    0.00  -0.000037384   0.000009000  -0.000095672
 H     -1.009858     -1.785676     -2.029301    0.00  -0.000080217  -0.000022191  -0.000020998
 H     -0.443525     -2.510207      1.101347    0.00  -0.000114472  -0.000804781  -0.000121190
 O      0.831687     -0.687927      0.016174    0.00  -0.001161985  -0.002131649   0.001315484
 O      1.069753     -1.563704     -1.063946    0.00  -0.000071116  -0.003145021  -0.002488193
 C      1.404875     -2.861141     -0.690549    0.00   0.000904685   0.006792408   0.000521884
 H      2.121872     -3.211910     -1.443910    0.00   0.000199020   0.001861513   0.000438601
 O      0.897191     -3.480589      0.209876    0.00   0.002464614  -0.004855137  -0.000579909
26
 Energy =      -0.200126118312
 C     -0.269511      1.974244      0.573875    0.00  -0.000237307   0.000168241   0.000074243
 C     -1.482669      2.061941     -0.360390    0.00  -0.000325332   0.000188467   0.000117757
 C     -1.568775      0.826601     -1.266017    0.00  -0.000356498   0.000110723  -0.000104771
 C     -1.697640     -0.462952     -0.435467    0.00  -0.000615855   0.000053741  -0.000406268
 C     -0.513074     -0.570382      0.542008    0.00  -0.000490519  -0.000015920  -0.000005031
 C     -0.281612      0.692573      1.407874    0.00  -0.000231755   0.000136165  -0.000012575
 H     -2.430551      0.917119     -1.952443    0.00  -0.000032464   0.000010818   0.000005453
 H     -2.411882      2.165352      0.232216    0.00  -0.000041682   0.000020570   0.000016470
 H     -1.413713      2.976618     -0.979277    0.00  -0.000017407   0.000017960   0.000020386
 H      0.663969      2.012438     -0.025037    0.00  -0.000013180   0.000010146   0.000004836
 H     -0.240749      2.853564      1.245180    0.00  -0.000017304   0.000017727   0.000010382
 H     -2.615379     -0.387973      0.208415    0.00  -0.000071604   0.000012630  -0.000021894
 H     -1.078468      0.710380      2.179597    0.00  -0.000032641   0.000021941   0.000004575
 H      0.669859      0.581167      1.969032    0.00  -0.000008802   0.000004504   0.000005498
 H     -0.667428      0.765679     -1.908531    0.00  -0.000003012   0.000013659  -0.000020093
 O     -0.706308     -1.621705      1.468529    0.00   0.001034058   0.001284519   0.001613618
 C     -1.843552     -1.693966     -1.324531    0.00  -0.000607106   0.000044637  -0.000523420
 H     -1.888234     -2.614069     -0.728422    0.00  -0.000012729   0.000025445   0.000004969
 H     -2.767030     -1.646892     -1.913784    0.00  -0.000038794   0.000005495  -0.000086658
 H     -1.008306     -1.787222     -2.029478    0.00  -0.000076602  -0.000016308  -0.000025114
 H     -0.425869     -2.507959      1.113044    0.00  -0.000083824  -0.000818552  -0.000114582
 O      0.833535     -0.689444      0.020090    0.00  -0.001242244  -0.002180713   0.001280576
 O      1.075279     -1.561136     -1.063343    0.00   0.000087351  -0.002664725  -0.002123153
 C      1.393561     -2.863207     -0.699688    0.00   0.000990400   0.006353117   0.000603705
 H      2.085021     -3.224835     -1.471973    0.00   0.000233381   0.001707194   0.000450689
 O      0.901284     -3.474851      0.214930    0.00   0.002211471  -0.004511480  -0.000769598
26
 Energy =       -0.20065343907
 C     -0.269651      1.973613      0.573689    0.00  -0.000209137   0.000163080   0.000052834
 C     -1.482825      2.061037     -0.360542    0.00  -0.000325371   0.000195100   0.000110476
 C     -1.568418      0.825844     -1.266425    0.00  -0.000366805   0.000099780  -0.000132797
 C     -1.696462     -0.463996     -0.436301    0.00  -0.000627832   0.000005295  -0.000446938
 C     -0.512478     -0.571314      0.541979    0.00  -0.000453997  -0.000089514  -0.000046437
 C     -0.281562      0.692049      1.407632    0.00  -0.000196233   0.000095423  -0.000030247
 H     -2.430452      0.916128     -1.952591    0.00  -0.000035111   0.000010564   0.000004444
 H     -2.412081      2.163957      0.232092    0.00  -0.000043782   0.000021670   0.000016817
 H     -1.414237      2.975867     -0.979244    0.00  -0.000016169   0.000019698   0.000021302
 H      0.663850      2.012023     -0.025174    0.00  -0.000010742   0.000010299   0.000002941
 H     -0.241070      2.852952      1.244993    0.00  -0.000013538   0.000018718   0.000007626
 H     -2.614331     -0.389700      0.207667    0.00  -0.000073125   0.000007823  -0.000024803
 H     -1.078576      0.709420      2.179239    0.00  -0.000028387   0.000020100   0.000002648
 H      0.669804      0.580958      1.969087    0.00  -0.000002503  -0.000000092   0.000004728
 H     -0.667272      0.765696     -1.909235    0.00  -0.000002637   0.000013014  -0.000022999
 O     -0.710370     -1.621404      1.469092    0.00   0.001002865   0.001319585   0.001557518
 C     -1.842231     -1.694907     -1.325535    0.00  -0.000614348   0.000011258  -0.000536446
 H     -1.888450     -2.614629     -0.728828    0.00  -0.000019220   0.000014018  -0.000003739
 H     -2.765236     -1.647225     -1.915545    0.00  -0.000040660   0.000001490  -0.000075816
 H     -1.006732     -1.788776     -2.029864    0.00  -0.000071550  -0.000010297  -0.000029649
 H     -0.407014     -2.505005      1.125924    0.00  -0.000048816  -0.000833240  -0.000108808
 O      0.835647     -0.691165      0.024286    0.00  -0.001319447  -0.002196726   0.001258783
 O      1.080104     -1.558559     -1.062815    0.00   0.000248491  -0.002170016  -0.001753787
 C      1.382001     -2.865024     -0.708626    0.00   0.001051124   0.005876261   0.000658331
 H      2.047765     -3.236788     -1.498809    0.00   0.000259306   0.001547041   0.000453097
 O      0.905640     -3.469177      0.219677    0.00   0.001957625  -0.004150334  -0.000939078
26
 Energy =      -0.201142641312
 C     -0.269786      1.973025      0.573460    0.00  -0.000176866   0.000155647   0.000028714
 C     -1.482990      2.060068     -0.360731    0.00  -0.000321687   0.000199777   0.000099935
 C     -1.567956      0.825039     -1.266896    0.00  -0.000374768   0.000085260  -0.000162664
 C     -1.695046     -0.465077     -0.437184    0.00  -0.000629078  -0.000042809  -0.000479966
 C     -0.511699     -0.572143      0.542011    0.00  -0.000408711  -0.000159906  -0.000074665
 C     -0.281449      0.691615      1.407417    0.00  -0.000155119   0.000051347  -0.000047580
 H     -2.430281      0.915002     -1.952778    0.00  -0.000037685   0.000010051   0.000002619
 H     -2.412298      2.162388      0.231939    0.00  -0.000045560   0.000022634   0.000016864
 H     -1.414869      2.975075     -0.979225    0.00  -0.000014666   0.000021339   0.000021938
 H      0.663726      2.011665     -0.025364    0.00  -0.000008142   0.000010309   0.000000886
 H     -0.241428      2.852424      1.244714    0.00  -0.000009367   0.000019555   0.000004455
 H     -2.613049     -0.391525      0.206892    0.00  -0.000073347   0.000003723  -0.000027438
 H     -1.078668      0.708554      2.178864    0.00  -0.000023235   0.000017521   0.000000551
 H      0.669778      0.580957      1.969234    0.00   0.000003986  -0.000004702   0.000003626
 H     -0.667030      0.765754     -1.910034    0.00  -0.000002633   0.000011586  -0.000025724
 O     -0.714711     -1.621105      1.469574    0.00   0.000951580   0.001360826   0.001493242
 C     -1.840719     -1.695898     -1.326573    0.00  -0.000617784  -0.000029636  -0.000546231
 H     -1.888176     -2.615230     -0.729215    0.00  -0.000026308   0.000000644  -0.000013279
 H     -2.763406     -1.647722     -1.917098    0.00  -0.000043135  -0.000002955  -0.000063137
 H     -1.005140     -1.790296     -2.030499    0.00  -0.000064926  -0.000004351  -0.000034546
 H     -0.386713     -2.501190      1.140176    0.00  -0.000008311  -0.000850171  -0.000103910
 O      0.837999     -0.693137      0.028781    0.00  -0.001389110  -0.002176973   0.001249642
 O      1.084116     -1.555978     -1.062381    0.00   0.000405090  -0.001678303  -0.001390598
 C      1.370268     -2.866578     -0.717337    0.00   0.001085791   0.005377950   0.000686443
 H      2.010350     -3.247722     -1.524343    0.00   0.000276428   0.001386234   0.000446078
 O      0.910261     -3.463589      0.224082    0.00   0.001707563  -0.003784596  -0.001085257
26
 Energy =       -0.20159495435
 C     -0.269912      1.972502      0.573182    0.00  -0.000141366   0.000145881   0.000002421
 C     -1.483161      2.059044     -0.360966    0.00  -0.000313707   0.000201873   0.000085808
 C     -1.567366      0.824189     -1.267434    0.00  -0.000379590   0.000067073  -0.000193382
 C     -1.693386     -0.466175     -0.438104    0.00  -0.000617848  -0.000088496  -0.000502837
 C     -0.510750     -0.572846      0.542132    0.00  -0.000355860  -0.000223755  -0.000088228
 C     -0.281263      0.691301      1.407244    0.00  -0.000109855   0.000005650  -0.000064327
 H     -2.430002      0.913739     -1.953023    0.00  -0.000040070   0.000009248  -0.000000124
 H     -2.412528      2.160639      0.231748    0.00  -0.000046837   0.000023390   0.000016517
 H     -1.415615      2.974249     -0.979227    0.00  -0.000012938   0.000022774   0.000022168
 H      0.663603      2.011379     -0.025614    0.00  -0.000005463   0.000010142  -0.000001281
 H     -0.241821      2.852008      1.244322    0.00  -0.000004937   0.000020165   0.000000967
 H     -2.611542     -0.393427      0.206081    0.00  -0.000072079   0.000000544  -0.000029634
 H     -1.078735      0.707829      2.178486    0.00  -0.000017339   0.000014285  -0.000001692
 H      0.669792      0.581200      1.969477    0.00   0.000010429  -0.000009124   0.000002152
 H     -0.666673      0.765852     -1.910917    0.00  -0.000003089   0.000009259  -0.000028114
 O     -0.719351     -1.620842      1.469938    0.00   0.000875691   0.001411331   0.001420257
 C     -1.838989     -1.696935     -1.327626    0.00  -0.000616804  -0.000077585  -0.000551712
 H     -1.887261     -2.615868     -0.729554    0.00  -0.000033869  -0.000014632  -0.000023534
 H     -2.761561     -1.648442     -1.918354    0.00  -0.000046341  -0.000007758  -0.000048682
 H     -1.003547     -1.791719     -2.031421    0.00  -0.000056645   0.000001347  -0.000039681
 H     -0.364693     -2.496314      1.156013    0.00   0.000039345  -0.000870472  -0.000099666
 O      0.840551     -0.695407      0.033579    0.00  -0.001446426  -0.002120883   0.001251010
 O      1.087209     -1.553401     -1.062061    0.00   0.000549869  -0.001207556  -0.001044012
 C      1.358462     -2.867856     -0.725787    0.00   0.001094972   0.004875590   0.000690696
 H      1.973080     -3.257588     -1.548499    0.00   0.000284825   0.001230071   0.000430488
 O      0.915149     -3.458118      0.228114    0.00   0.001465933  -0.003428361  -0.001205579
26
 Energy =      -0.202013048928
 C     -0.270021      1.972068      0.572850    0.00  -0.000103967   0.000133801  -0.000025203
 C     -1.483330      2.057979     -0.361255    0.00  -0.000301055   0.000200728   0.000067972
 C     -1.566629      0.823306     -1.268042    0.00  -0.000380445   0.000045443  -0.000223613
 C     -1.691497     -0.467264     -0.439042    0.00  -0.000593084  -0.000129737  -0.000513496
 C     -0.509661     -0.573398      0.542370    0.00  -0.000297370  -0.000277824  -0.000086934
 C     -0.281000      0.691137      1.407122    0.00  -0.000062605  -0.000039654  -0.000080244
 H     -2.429575      0.912344     -1.953350    0.00  -0.000042115   0.000008147  -0.000003799
 H     -2.412768      2.158718      0.231511    0.00  -0.000047428   0.000023858   0.000015683
 H     -1.416479      2.973403     -0.979260    0.00  -0.000011057   0.000023874   0.000021865
 H      0.663485      2.011182     -0.025929    0.00  -0.000002814   0.000009771  -0.000003490
 H     -0.242242      2.851740      1.243804    0.00  -0.000000452   0.000020470  -0.000002689
 H     -2.609838     -0.395375      0.205223    0.00  -0.000069225  -0.000001597  -0.000031243
 H     -1.078764      0.707302      2.178119    0.00  -0.000010949   0.000010557  -0.000004048
 H      0.669859      0.581724      1.969815    0.00   0.000016569  -0.000013163   0.000000300
 H     -0.666161      0.765986     -1.911861    0.00  -0.000004059   0.000005994  -0.000030016
 O     -0.724300     -1.620664      1.470127    0.00   0.000769916   0.001474351   0.001336771
 C     -1.837014     -1.698003     -1.328666    0.00  -0.000610798  -0.000131290  -0.000551645
 H     -1.885542     -2.616534     -0.729805    0.00  -0.000041685  -0.000031580  -0.000034331
 H     -2.759728     -1.649459     -1.919204    0.00  -0.000050334  -0.000012820  -0.000032607
 H     -1.001971     -1.792961     -2.032669    0.00  -0.000046715   0.000006659  -0.000044847
 H     -0.340687     -2.490132      1.173668    0.00   0.000096195  -0.000894595  -0.000095511
 O      0.843244     -0.698007      0.038663    0.00  -0.001486724  -0.002030736   0.001259074
 O      1.089295     -1.550845     -1.061866    0.00   0.000676278  -0.000774716  -0.000723743
 C      1.346703     -2.868860     -0.733935    0.00   0.001080890   0.004386600   0.000676372
 H      1.936312     -3.266354     -1.571191    0.00   0.000285161   0.001083615   0.000407866
 O      0.920297     -3.452803      0.231747    0.00   0.001237871  -0.003096157  -0.001298444
26
 Energy =      -0.202400814252
 C     -0.270104      1.971750      0.572462    0.00  -0.000066475   0.000119497  -0.000052998
 C     -1.483486      2.056896     -0.361603    0.00  -0.000283708   0.000195743   0.000046614
 C     -1.565727      0.822408     -1.268711    0.00  -0.000376587   0.000020976  -0.000251766
 C     -1.689412     -0.468311     -0.439973    0.00  -0.000554758  -0.000164745  -0.000510807
 C     -0.508475     -0.573777      0.542747    0.00  -0.000235929  -0.000319448  -0.000072235
 C     -0.280654      0.691150      1.407062    0.00  -0.000016109  -0.000082536  -0.000094949
 H     -2.428959      0.910837     -1.953785    0.00  -0.000043669   0.000006762  -0.000008285
 H     -2.413006      2.156651      0.231218    0.00  -0.000047167   0.000023955   0.000014305
 H     -1.417448      2.972559     -0.979333    0.00  -0.000009123   0.000024500   0.000020912
 H      0.663384      2.011093     -0.026313    0.00  -0.000000323   0.000009171  -0.000005649
 H     -0.242681      2.851645      1.243150    0.00   0.000003841   0.000020400  -0.000006330
 H     -2.607992     -0.397318      0.204314    0.00  -0.000064804  -0.000002694  -0.000032142
 H     -1.078743      0.707026      2.177780    0.00  -0.000004385   0.000006574  -0.000006452
 H      0.669987      0.582551      1.970238    0.00   0.000022149  -0.000016664  -0.000001892
 H     -0.665458      0.766145     -1.912829    0.00  -0.000005526   0.000001874  -0.000031299
 O     -0.729545     -1.620645      1.470065    0.00   0.000628559   0.001552427   0.001239328
 C     -1.834783     -1.699084     -1.329655    0.00  -0.000599212  -0.000188518  -0.000544788
 H     -1.882852     -2.617213     -0.729919    0.00  -0.000049420  -0.000049731  -0.000045441
 H     -2.757951     -1.650853     -1.919533    0.00  -0.000055063  -0.000018042  -0.000015199
 H     -1.000447     -1.793922     -2.034268    0.00  -0.000035270   0.000011523  -0.000049741
 H     -0.314477     -2.482360      1.193361    0.00   0.000164322  -0.000921581  -0.000090445
 O      0.845996     -0.700948      0.043986    0.00  -0.001506119  -0.001911666   0.001268517
 O      1.090325     -1.548336     -1.061800    0.00   0.000779226  -0.000393848  -0.000437585
 C      1.335127     -2.869605     -0.741729    0.00   0.001047807   0.003926769   0.000650646
 H      1.900419     -3.274012     -1.592348    0.00   0.000278735   0.000951146   0.000380503
 O      0.925694     -3.447686      0.234973    0.00   0.001029005  -0.002801842  -0.001362822
26
 Energy =      -0.202762912463
 C     -0.270151      1.971567      0.572019    0.00  -0.000031057   0.000103163  -0.000079536
 C     -1.483616      2.055828     -0.362011    0.00  -0.000262151   0.000186453   0.000022305
 C     -1.564654      0.821518     -1.269430    0.00  -0.000367491  -0.000005298  -0.000276217
 C     -1.687195     -0.469273     -0.440864    0.00  -0.000504111  -0.000192282  -0.000494895
 C     -0.507247     -0.573968      0.543279    0.00  -0.000174564  -0.000346894  -0.000047087
 C     -0.280225      0.691355      1.407067    0.00   0.000026525  -0.000121169  -0.000107739
 H     -2.428116      0.909253     -1.954351    0.00  -0.000044572   0.000005130  -0.000013330
 H     -2.413232      2.154490      0.230862    0.00  -0.000045945   0.000023611   0.000012363
 H     -1.418494      2.971741     -0.979457    0.00  -0.000007255   0.000024518   0.000019248
 H      0.663310      2.011119     -0.026762    0.00   0.000001852   0.000008324  -0.000007652
 H     -0.243120      2.851747      1.242362    0.00   0.000007677   0.000019887  -0.000009741
 H     -2.606077     -0.399196      0.203353    0.00  -0.000058978  -0.000002880  -0.000032289
 H     -1.078660      0.707047      2.177483    0.00   0.000001991   0.000002592  -0.000008813
 H      0.670189      0.583690      1.970727    0.00   0.000026918  -0.000019523  -0.000004324
 H     -0.664532      0.766312     -1.913770    0.00  -0.000007400  -0.000002885  -0.000031884
 O     -0.735042     -1.620880      1.469654    0.00   0.000446904   0.001645750   0.001122831
 C     -1.832305     -1.700152     -1.330547    0.00  -0.000581619  -0.000246180  -0.000530130
 H     -1.879052     -2.617886     -0.729845    0.00  -0.000056641  -0.000068347  -0.000056593
 H     -2.756285     -1.652702     -1.919222    0.00  -0.000060346  -0.000023328   0.000003099
 H     -0.999017     -1.794495     -2.036230    0.00  -0.000022594   0.000015963  -0.000053995
 H     -0.285986     -2.472695      1.215268    0.00   0.000244751  -0.000948069  -0.000083055
 O      0.848717     -0.704207      0.049470    0.00  -0.001501947  -0.001771311   0.001272966
 O      1.090307     -1.545903     -1.061854    0.00   0.000855886  -0.000073885  -0.000190573
 C      1.323865     -2.870124     -0.749112    0.00   0.001001298   0.003507972   0.000622402
 H      1.865745     -3.280596     -1.611923    0.00   0.000267451   0.000835528   0.000351295
 O      0.931319     -3.442799      0.237811    0.00   0.000845416  -0.002556841  -0.001398656
26
 Energy =      -0.203104098789
 C     -0.270152      1.971529      0.571533    0.00  -0.000000079   0.000085061  -0.000103177
 C     -1.483702      2.054812     -0.362479    0.00  -0.000237389   0.000172595  -0.000003999
 C     -1.563419      0.820663     -1.270182    0.00  -0.000352987  -0.000032056  -0.000295628
 C     -1.684922     -0.470115     -0.441681    0.00  -0.000443625  -0.000211767  -0.000467319
 C     -0.506038     -0.573970      0.543961    0.00  -0.000116427  -0.000359572  -0.000015420
 C     -0.279719      0.691748      1.407142    0.00   0.000062228  -0.000154130  -0.000117359
 H     -2.427025      0.907639     -1.955063    0.00  -0.000044696   0.000003323  -0.000018579
 H     -2.413429      2.152303      0.230438    0.00  -0.000043736   0.000022783   0.000009900
 H     -1.419571      2.970977     -0.979640    0.00  -0.000005573   0.000023809   0.000016872
 H      0.663275      2.011263     -0.027262    0.00   0.000003522   0.000007233  -0.000009367
 H     -0.243540      2.852046      1.241455    0.00   0.000010796   0.000018892  -0.000012717
 H     -2.604179     -0.400944      0.202347    0.00  -0.000052019  -0.000002382  -0.000031735
 H     -1.078506      0.707385      2.177239    0.00   0.000007831  -0.000001158  -0.000010988
 H      0.670471      0.585120      1.971257    0.00   0.000030654  -0.000021698  -0.000006827
 H     -0.663365      0.766470     -1.914631    0.00  -0.000009521  -0.000007969  -0.000031753
 O     -0.740710     -1.621483      1.468775    0.00   0.000223588   0.001749997   0.000981334
 C     -1.829611     -1.701181     -1.331298    0.00  -0.000557793  -0.000300604  -0.000507196
 H     -1.874060     -2.618529     -0.729545    0.00  -0.000062877  -0.000086458  -0.000067463
 H     -2.754788     -1.655063     -1.918181    0.00  -0.000065849  -0.000028564   0.000021682
 H     -0.997734     -1.794584     -2.038540    0.00  -0.000009109   0.000020062  -0.000057251
 H     -0.255371     -2.460856      1.239457    0.00   0.000336063  -0.000967497  -0.000071584
 O      0.851319     -0.707726      0.055012    0.00  -0.001472746  -0.001618124   0.001265430
 O      1.089312     -1.543579     -1.062009    0.00   0.000906040   0.000182564   0.000015794
 C      1.313016     -2.870463     -0.756025    0.00   0.000947317   0.003136274   0.000600830
 H      1.832522     -3.286192     -1.629911    0.00   0.000253516   0.000737672   0.000323380
 O      0.937140     -3.438156      0.240321    0.00   0.000692871  -0.002368287  -0.001406862
26
 Energy =      -0.203428367177
 C     -0.270098      1.971630      0.571014    0.00   0.000024059   0.000065541  -0.000122107
 C     -1.483728      2.053883     -0.362998    0.00  -0.000210838   0.000154128  -0.000031102
 C     -1.562037      0.819870     -1.270944    0.00  -0.000333332  -0.000057916  -0.000309228
 C     -1.682673     -0.470800     -0.442398    0.00  -0.000376633  -0.000223066  -0.000430818
 C     -0.504901     -0.573795      0.544773    0.00  -0.000064462  -0.000357998   0.000018493
 C     -0.279146      0.692307      1.407285    0.00   0.000088376  -0.000180311  -0.000121861
 H     -2.425678      0.906047     -1.955924    0.00  -0.000043959   0.000001410  -0.000023664
 H     -2.413579      2.150165      0.229942    0.00  -0.000040616   0.000021461   0.000007016
 H     -1.420621      2.970292     -0.979884    0.00  -0.000004187   0.000022280   0.000013854
 H      0.663294      2.011507     -0.027798    0.00   0.000004482   0.000005902  -0.000010643
 H     -0.243914      2.852527      1.240460    0.00   0.000012955   0.000017387  -0.000015075
 H     -2.602379     -0.402501      0.201312    0.00  -0.000044262  -0.000001468  -0.000030616
 H     -1.078282      0.708036      2.177054    0.00   0.000012837  -0.000004497  -0.000012770
 H      0.670838      0.586802      1.971803    0.00   0.000033137  -0.000023177  -0.000009162
 H     -0.661956      0.766601     -1.915367    0.00  -0.000011690  -0.000013012  -0.000030963
 O     -0.746435     -1.622571      1.467302    0.00  -0.000035908   0.001854429   0.000810294
 C     -1.826753     -1.702145     -1.331873    0.00  -0.000527700  -0.000347960  -0.000476262
 H     -1.867866     -2.619122     -0.728993    0.00  -0.000067706  -0.000102935  -0.000077693
 H     -2.753518     -1.657963     -1.916356    0.00  -0.000071112  -0.000033586   0.000039816
 H     -0.996655     -1.794124     -2.041175    0.00   0.000004673   0.000023950  -0.000059222
 H     -0.223100     -2.446654      1.265839    0.00   0.000432748  -0.000970172  -0.000054356
 O      0.853734     -0.711419      0.060505    0.00  -0.001417874  -0.001459508   0.001238916
 O      1.087457     -1.541386     -1.062235    0.00   0.000931653   0.000379321   0.000183308
 C      1.302619     -2.870678     -0.762418    0.00   0.000891069   0.002810830   0.000593622
 H      1.800806     -3.290931     -1.646365    0.00   0.000238969   0.000656341   0.000299524
 O      0.943133     -3.433732      0.242603    0.00   0.000575320  -0.002237374  -0.001389301
26
 Energy =      -0.203738126722
 C     -0.269980      1.971849      0.570485    0.00   0.000039124   0.000044969  -0.000134389
 C     -1.483677      2.053063     -0.363556    0.00  -0.000184130   0.000131186  -0.000057738
 C     -1.560534      0.819160     -1.271698    0.00  -0.000309166  -0.000081651  -0.000316958
 C     -1.680516     -0.471309     -0.442999    0.00  -0.000306882  -0.000226252  -0.000388887
 C     -0.503875     -0.573467      0.545687    0.00  -0.000021311  -0.000343546   0.000050668
 C     -0.278523      0.692990      1.407498    0.00   0.000103058  -0.000198631  -0.000118721
 H     -2.424087      0.904527     -1.956925    0.00  -0.000042336  -0.000000545  -0.000028287
 H     -2.413666      2.148149      0.229378    0.00  -0.000036737   0.000019682   0.000003837
 H     -1.421584      2.969702     -0.980185    0.00  -0.000003190   0.000019857   0.000010303
 H      0.663380      2.011818     -0.028342    0.00   0.000004518   0.000004331  -0.000011299
 H     -0.244222      2.853150      1.239412    0.00   0.000013949   0.000015366  -0.000016654
 H     -2.600735     -0.403819      0.200260    0.00  -0.000036062  -0.000000395  -0.000029121
 H     -1.077992      0.708970      2.176936    0.00   0.000016750  -0.000007293  -0.000013881
 H      0.671286      0.588671      1.972344    0.00   0.000034140  -0.000023933  -0.000010987
 H     -0.660319      0.766693     -1.915943    0.00  -0.000013698  -0.000017682  -0.000029625
 O     -0.752082     -1.624248      1.465121    0.00  -0.000316303   0.001941861   0.000609811
 C     -1.823788     -1.703025     -1.332253    0.00  -0.000491477  -0.000384491  -0.000438397
 H     -1.860529     -2.619648     -0.728200    0.00  -0.000070810  -0.000116602  -0.000086886
 H     -2.752521     -1.661400     -1.913732    0.00  -0.000075600  -0.000038186   0.000056687
 H     -0.995830     -1.793078     -2.044104    0.00   0.000018207   0.000027779  -0.000059730
 H     -0.189973     -2.430063      1.294119    0.00   0.000524742  -0.000945103  -0.000030430
 O      0.855927     -0.715187      0.065847    0.00  -0.001336763  -0.001300054   0.001186939
 O      1.084880     -1.539336     -1.062505    0.00   0.000935763   0.000525032   0.000316111
 C      1.292643     -2.870819     -0.768258    0.00   0.000836011   0.002524402   0.000604985
 H      1.770444     -3.294985     -1.661392    0.00   0.000225151   0.000588444   0.000281488
 O      0.949286     -3.429469      0.244792    0.00   0.000493053  -0.002158545  -0.001348838
26
 Energy =      -0.204033669619
 C     -0.269793      1.972148      0.569968    0.00   0.000043289   0.000023679  -0.000138052
 C     -1.483529      2.052367     -0.364141    0.00  -0.000158941   0.000103991  -0.000082768
 C     -1.558926      0.818547     -1.272433    0.00  -0.000281401  -0.000102313  -0.000319439
 C     -1.678493     -0.471637     -0.443484    0.00  -0.000238225  -0.000221500  -0.000345333
 C     -0.502975     -0.573022      0.546664    0.00   0.000010859  -0.000317936   0.000077848
 C     -0.277869      0.693742      1.407789    0.00   0.000105245  -0.000207834  -0.000105309
 H     -2.422265      0.903118     -1.958060    0.00  -0.000039825  -0.000002479  -0.000032233
 H     -2.413676      2.146306      0.228747    0.00  -0.000032289   0.000017501   0.000000474
 H     -1.422395      2.969216     -0.980534    0.00  -0.000002664   0.000016478   0.000006372
 H      0.663545      2.012147     -0.028864    0.00   0.000003440   0.000002504  -0.000011150
 H     -0.244439      2.853868      1.238354    0.00   0.000013625   0.000012834  -0.000017288
 H     -2.599282     -0.404864      0.199199    0.00  -0.000027777   0.000000631  -0.000027470
 H     -1.077651      0.710137      2.176892    0.00   0.000019335  -0.000009389  -0.000014009
 H      0.671803      0.590651      1.972876    0.00   0.000033451  -0.000023902  -0.000011853
 H     -0.658466      0.766739     -1.916346    0.00  -0.000015369  -0.000021731  -0.000027911
 O     -0.757513     -1.626582      1.462147    0.00  -0.000591914   0.001991442   0.000387844
 C     -1.820771     -1.703811     -1.332433    0.00  -0.000449369  -0.000406597  -0.000395288
 H     -1.852134     -2.620099     -0.727198    0.00  -0.000071947  -0.000126355  -0.000094620
 H     -2.751830     -1.665358     -1.910320    0.00  -0.000078752  -0.000042109   0.000071483
 H     -0.995312     -1.791437     -2.047310    0.00   0.000030956   0.000031704  -0.000058686
 H     -0.157048     -2.411292      1.323797    0.00   0.000598640  -0.000883661  -0.000000504
 O      0.857895     -0.718930      0.070957    0.00  -0.001228678  -0.001141010   0.001104227
 O      1.081699     -1.537431     -1.062797    0.00   0.000921124   0.000630757   0.000419133
 C      1.282991     -2.870925     -0.773527    0.00   0.000783328   0.002265318   0.000634274
 H      1.741109     -3.298538     -1.675130    0.00   0.000212469   0.000529776   0.000269660
 O      0.955617     -3.425274      0.247041    0.00   0.000441392  -0.002119800  -0.001289403
26
 Energy =      -0.204313210669
 C     -0.269533      1.972479      0.569491    0.00   0.000035478   0.000001777  -0.000131308
 C     -1.483264      2.051794     -0.364742    0.00  -0.000136813   0.000072836  -0.000105266
 C     -1.557221      0.818040     -1.273146    0.00  -0.000251145  -0.000119325  -0.000317705
 C     -1.676624     -0.471783     -0.443871    0.00  -0.000174229  -0.000208932  -0.000303730
 C     -0.502203     -0.572502      0.547673    0.00   0.000030560  -0.000283331   0.000097403
 C     -0.277213      0.694498      1.408169    0.00   0.000095044  -0.000206642  -0.000079751
 H     -2.420220      0.901855     -1.959319    0.00  -0.000036474  -0.000004360  -0.000035384
 H     -2.413590      2.144672      0.228046    0.00  -0.000027507   0.000015016  -0.000002950
 H     -1.422987      2.968835     -0.980915    0.00  -0.000002660   0.000012108   0.000002196
 H      0.663804      2.012432     -0.029321    0.00   0.000001164   0.000000359  -0.000010019
 H     -0.244542      2.854617      1.237331    0.00   0.000011912   0.000009823  -0.000016832
 H     -2.598024     -0.405620      0.198125    0.00  -0.000019770   0.000001468  -0.000025848
 H     -1.077285      0.711469      2.176932    0.00   0.000020389  -0.000010515  -0.000012867
 H      0.672366      0.592654      1.973410    0.00   0.000030952  -0.000023007  -0.000011214
 H     -0.656406      0.766741     -1.916572    0.00  -0.000016546  -0.000024959  -0.000026007
 O     -0.762610     -1.629597      1.458340    0.00  -0.000830362   0.001984258   0.000161423
 C     -1.817745     -1.704499     -1.332429    0.00  -0.000401715  -0.000410909  -0.000349003
 H     -1.842769     -2.620471     -0.726045    0.00  -0.000070884  -0.000131265  -0.000100493
 H     -2.751470     -1.669807     -1.906141    0.00  -0.000080057  -0.000045138   0.000083444
 H     -0.995153     -1.789203     -2.050807    0.00   0.000042401   0.000035903  -0.000056008
 H     -0.125498     -2.390822      1.354182    0.00   0.000640933  -0.000783943   0.000032388
 O      0.859654     -0.722553      0.075768    0.00  -0.001093221  -0.000980917   0.000987938
 O      1.077981     -1.535664     -1.063105    0.00   0.000889224   0.000707658   0.000496697
 C      1.273528     -2.871018     -0.778220    0.00   0.000731760   0.002020337   0.000675885
 H      1.712371     -3.301775     -1.687717    0.00   0.000200436   0.000475855   0.000263083
 O      0.962178     -3.421044      0.249503    0.00   0.000411128  -0.002104155  -0.001216071
26
 Energy =      -0.204573574298
 C     -0.269191      1.972783      0.569095    0.00   0.000015997  -0.000020940  -0.000113141
 C     -1.482851      2.051339     -0.365346    0.00  -0.000119041   0.000038106  -0.000124573
 C     -1.555413      0.817645     -1.273845    0.00  -0.000219627  -0.000132482  -0.000312876
 C     -1.674905     -0.471758     -0.444189    0.00  -0.000117898  -0.000188921  -0.000266808
 C     -0.501548     -0.571955      0.548680    0.00   0.000037797  -0.000242009   0.000107588
 C     -0.276594      0.695186      1.408660    0.00   0.000073959  -0.000194337  -0.000041722
 H     -2.417944      0.900768     -1.960703    0.00  -0.000032355  -0.000006167  -0.000037661
 H     -2.413390      2.143268      0.227265    0.00  -0.000022616   0.000012321  -0.000006336
 H     -1.423281      2.968558     -0.981305    0.00  -0.000003214   0.000006771  -0.000002078
 H      0.664178      2.012592     -0.029657    0.00  -0.000002224  -0.000002214  -0.000007811
 H     -0.244513      2.855327      1.236395    0.00   0.000008906   0.000006397  -0.000015153
 H     -2.596943     -0.406071      0.197028    0.00  -0.000012399   0.000002065  -0.000024377
 H     -1.076939      0.712880      2.177065    0.00   0.000019812  -0.000010309  -0.000010303
 H      0.672930      0.594574      1.973984    0.00   0.000026725  -0.000021224  -0.000008545
 H     -0.654132      0.766705     -1.916632    0.00  -0.000017124  -0.000027234  -0.000024099
 O     -0.767280     -1.633267      1.453707    0.00  -0.001000644   0.001909353  -0.000046183
 C     -1.814749     -1.705091     -1.332271    0.00  -0.000348849  -0.000394627  -0.000301735
 H     -1.832512     -2.620769     -0.724815    0.00  -0.000067384  -0.000130669  -0.000104121
 H     -2.751478     -1.674722     -1.901211    0.00  -0.000079088  -0.000047115   0.000091884
 H     -0.995421     -1.786384     -2.054640    0.00   0.000052021   0.000040461  -0.000051589
 H     -0.096440     -2.369386      1.384448    0.00   0.000642237  -0.000653475   0.000063086
 O      0.861230     -0.725965      0.080212    0.00  -0.000931995  -0.000816994   0.000839245
 O      1.073746     -1.534038     -1.063439    0.00   0.000840143   0.000765205   0.000551636
 C      1.264117     -2.871105     -0.782332    0.00   0.000677779   0.001777577   0.000720610
 H      1.683796     -3.304871     -1.699248    0.00   0.000188083   0.000422775   0.000259757
 O      0.969061     -3.416679      0.252325    0.00   0.000390998  -0.002092315  -0.001134695
26
 Energy =       -0.20481131817
 C     -0.268761      1.972990      0.568832    0.00  -0.000012878  -0.000044985  -0.000083980
 C     -1.482247      2.050994     -0.365938    0.00  -0.000106379   0.000000428  -0.000140336
 C     -1.553479      0.817368     -1.274539    0.00  -0.000188099  -0.000142028  -0.000305792
 C     -1.673323     -0.471573     -0.444481    0.00  -0.000071092  -0.000162099  -0.000235615
 C     -0.500992     -0.571427      0.549652    0.00   0.000034503  -0.000196341   0.000108090
 C     -0.276063      0.695727      1.409290    0.00   0.000045094  -0.000171408   0.000006843
 H     -2.415423      0.899896     -1.962215    0.00  -0.000027608  -0.000007904  -0.000039044
 H     -2.413047      2.142114      0.226393    0.00  -0.000017861   0.000009513  -0.000009568
 H     -1.423177      2.968382     -0.981675    0.00  -0.000004295   0.000000619  -0.000006300
 H      0.664698      2.012542     -0.029789    0.00  -0.000006397  -0.000005338  -0.000004573
 H     -0.244332      2.855915      1.235616    0.00   0.000004905   0.000002663  -0.000012214
 H     -2.596014     -0.406209      0.195883    0.00  -0.000005939   0.000002477  -0.000023071
 H     -1.076693      0.714260      2.177293    0.00   0.000017724  -0.000008417  -0.000006381
 H      0.673419      0.596286      1.974670    0.00   0.000021135  -0.000018642  -0.000003527
 H     -0.651628      0.766645     -1.916541    0.00  -0.000017095  -0.000028497  -0.000022302
 O     -0.771466     -1.637516      1.448316    0.00  -0.001082916   0.001767632  -0.000212247
 C     -1.811834     -1.705582     -1.332004    0.00  -0.000291093  -0.000356305  -0.000255503
 H     -1.821452     -2.620985     -0.723601    0.00  -0.000061267  -0.000124260  -0.000105153
 H     -2.751898     -1.680062     -1.895548    0.00  -0.000075547  -0.000047936   0.000096195
 H     -0.996207     -1.782988     -2.058882    0.00   0.000059302   0.000045250  -0.000045333
 H     -0.070766     -2.347900      1.413690    0.00   0.000600983  -0.000508237   0.000085759
 O      0.862636     -0.729065      0.084192    0.00  -0.000750397  -0.000646772   0.000664843
 O      1.068961     -1.532572     -1.063832    0.00   0.000773411   0.000809983   0.000585265
 C      1.254658     -2.871184     -0.785841    0.00   0.000616209   0.001528885   0.000758090
 H      1.655055     -3.307988     -1.709747    0.00   0.000174311   0.000367858   0.000257063
 O      0.976383     -3.412098      0.255635    0.00   0.000371285  -0.002066140  -0.001051211
26
 Energy =      -0.205023853673
 C     -0.268229      1.973029      0.568774    0.00  -0.000046768  -0.000070771  -0.000046217
 C     -1.481393      2.050746     -0.366500    0.00  -0.000098665  -0.000039150  -0.000152528
 C     -1.551388      0.817223     -1.275244    0.00  -0.000157714  -0.000148671  -0.000296673
 C     -1.671868     -0.471237     -0.444796    0.00  -0.000033940  -0.000129667  -0.000209007
 C     -0.500523     -0.570965      0.550551    0.00   0.000024695  -0.000148100   0.000100416
 C     -0.275685      0.696033      1.410094    0.00   0.000012788  -0.000139827   0.000061613
 H     -2.412626      0.899290     -1.963860    0.00  -0.000022427  -0.000009573  -0.000039567
 H     -2.412523      2.141235      0.225408    0.00  -0.000013418   0.000006679  -0.000012570
 H     -1.422544      2.968307     -0.981987    0.00  -0.000005813  -0.000006034  -0.000010304
 H      0.665404      2.012190     -0.029600    0.00  -0.000010791  -0.000009080  -0.000000551
 H     -0.243984      2.856294      1.235093    0.00   0.000000442  -0.000001207  -0.000008134
 H     -2.595213     -0.406018      0.194663    0.00  -0.000000523   0.000002881  -0.000021823
 H     -1.076661      0.715479      2.177602    0.00   0.000014510  -0.000004729  -0.000001483
 H      0.673719      0.597643      1.975581    0.00   0.000014814  -0.000015461   0.000003686
 H     -0.648865      0.766573     -1.916316    0.00  -0.000016591  -0.000028836  -0.000020625
 O     -0.775133     -1.642221      1.442293    0.00  -0.001075935   0.001571747  -0.000322519
 C     -1.809068     -1.705963     -1.331694    0.00  -0.000228779  -0.000296832  -0.000211792
 H     -1.809736     -2.621112     -0.722515    0.00  -0.000052571  -0.000112206  -0.000103228
 H     -2.752794     -1.685746     -1.889197    0.00  -0.000069293  -0.000047457   0.000095884
 H     -0.997623     -1.779045     -2.063614    0.00   0.000063807   0.000049734  -0.000037300
 H     -0.049006     -2.327324      1.441015    0.00   0.000524820  -0.000367747   0.000096249
 O      0.863860     -0.731740      0.087575    0.00  -0.000558688  -0.000469863   0.000477353
 O      1.063563     -1.531313     -1.064337    0.00   0.000689152   0.000845027   0.000598217
 C      1.245129     -2.871252     -0.788704    0.00   0.000542144   0.001271634   0.000778939
 H      1.626020     -3.311275     -1.719145    0.00   0.000158159   0.000310161   0.000252219
 O      0.984267     -3.407245      0.259541    0.00   0.000346583  -0.002012651  -0.000970254
26
 Energy =      -0.205210209068
 C     -0.267576      1.972830      0.569020    0.00  -0.000079893  -0.000097960  -0.000004255
 C     -1.480213      2.050592     -0.367006    0.00  -0.000094439  -0.000078883  -0.000161452
 C     -1.549103      0.817223     -1.275966    0.00  -0.000129251  -0.000153371  -0.000284987
 C     -1.670549     -0.470765     -0.445184    0.00  -0.000004590  -0.000093186  -0.000183886
 C     -0.500150     -0.570611      0.551333    0.00   0.000012911  -0.000098702   0.000087856
 C     -0.275540      0.696016      1.411104    0.00  -0.000018312  -0.000102825   0.000116270
 H     -2.409514      0.899025     -1.965640    0.00  -0.000017074  -0.000011191  -0.000039373
 H     -2.411769      2.140666      0.224291    0.00  -0.000009374   0.000003877  -0.000015272
 H     -1.421221      2.968333     -0.982196    0.00  -0.000007588  -0.000012695  -0.000013937
 H      0.666353      2.011459     -0.028934    0.00  -0.000014698  -0.000013347   0.000003828
 H     -0.243466      2.856371      1.234947    0.00  -0.000003857  -0.000004991  -0.000003223
 H     -2.594538     -0.405486      0.193332    0.00   0.000003931   0.000003467  -0.000020424
 H     -1.077003      0.716387      2.177954    0.00   0.000010766   0.000000420   0.000003730
 H      0.673676      0.598474      1.976861    0.00   0.000008471  -0.000011909   0.000012284
 H     -0.645810      0.766497     -1.915963    0.00  -0.000015849  -0.000028485  -0.000018930
 O     -0.778266     -1.647232      1.435821    0.00  -0.000997549   0.001343099  -0.000376108
 C     -1.806566     -1.706206     -1.331429    0.00  -0.000162384  -0.000220376  -0.000171201
 H     -1.797637     -2.621128     -0.721694    0.00  -0.000041722  -0.000095258  -0.000097953
 H     -2.754241     -1.691615     -1.882277    0.00  -0.000060366  -0.000045397   0.000090720
 H     -0.999787     -1.774619     -2.068887    0.00   0.000065220   0.000053001  -0.000027883
 H     -0.031266     -2.308502      1.465657    0.00   0.000428683  -0.000248520   0.000093829
 O      0.864851     -0.733876      0.090175    0.00  -0.000371238  -0.000289480   0.000293483
 O      1.057489     -1.530344     -1.065034    0.00   0.000589461   0.000869716   0.000591703
 C      1.235620     -2.871320     -0.790851    0.00   0.000453544   0.001009367   0.000776436
 H      1.596858     -3.314866     -1.727277    0.00   0.000138968   0.000250709   0.000242750
 O      0.992832     -3.402091      0.264129    0.00   0.000316230  -0.001927081  -0.000894008
26
 Energy =      -0.205371290882
 C     -0.266783      1.972344      0.569675    0.00  -0.000106776  -0.000124822   0.000036376
 C     -1.478623      2.050537     -0.367425    0.00  -0.000091079  -0.000116280  -0.000167494
 C     -1.546594      0.817394     -1.276699    0.00  -0.000102834  -0.000156865  -0.000269736
 C     -1.669416     -0.470163     -0.445686    0.00   0.000020157  -0.000055002  -0.000156770
 C     -0.499911     -0.570400      0.551947    0.00   0.000002698  -0.000049487   0.000074303
 C     -0.275717      0.695599      1.412343    0.00  -0.000044760  -0.000064281   0.000163523
 H     -2.406047      0.899197     -1.967551    0.00  -0.000011851  -0.000012739  -0.000038621
 H     -2.410728      2.140468      0.223022    0.00  -0.000005693   0.000001172  -0.000017634
 H     -1.419036      2.968468     -0.982265    0.00  -0.000009370  -0.000018786  -0.000017054
 H      0.667608      2.010313     -0.027614    0.00  -0.000017467  -0.000017789   0.000008019
 H     -0.242788      2.856068      1.235332    0.00  -0.000007442  -0.000008422   0.000002018
 H     -2.594024     -0.404587      0.191863    0.00   0.000007661   0.000004299  -0.000018663
 H     -1.077891      0.716841      2.178292    0.00   0.000007049   0.000006207   0.000008432
 H      0.673122      0.598611      1.978652    0.00   0.000002710  -0.000008186   0.000020869
 H     -0.642429      0.766408     -1.915473    0.00  -0.000015100  -0.000027744  -0.000017002
 O     -0.780845     -1.652382      1.429128    0.00  -0.000877933   0.001107549  -0.000384232
 C     -1.804499     -1.706265     -1.331310    0.00  -0.000092863  -0.000134442  -0.000133205
 H     -1.785630     -2.620997     -0.721289    0.00  -0.000029677  -0.000074898  -0.000088888
 H     -2.756297     -1.697391     -1.875036    0.00  -0.000048960  -0.000041231   0.000081041
 H     -1.002778     -1.769829     -2.074666    0.00   0.000063426   0.000053991  -0.000018028
 H     -0.017223     -2.291999      1.487095    0.00   0.000329884  -0.000159195   0.000081390
 O      0.865514     -0.735376      0.091779    0.00  -0.000203363  -0.000113387   0.000130087
 O      1.050701     -1.529784     -1.066014    0.00   0.000479136   0.000880617   0.000568533
 C      1.226357     -2.871424     -0.792192    0.00   0.000353345   0.000751362   0.000747777
 H      1.568101     -3.318874     -1.733905    0.00   0.000116587   0.000192435   0.000226970
 O      1.002157     -3.396636      0.269448    0.00   0.000282517  -0.001814078  -0.000822012
26
 Energy =      -0.205509718708
 C     -0.265835      1.971556      0.570836    0.00  -0.000124155  -0.000148335   0.000070426
 C     -1.476555      2.050604     -0.367724    0.00  -0.000085711  -0.000148450  -0.000170766
 C     -1.543851      0.817762     -1.277417    0.00  -0.000077876  -0.000159001  -0.000250188
 C     -1.668562     -0.469435     -0.446316    0.00   0.000043439  -0.000018210  -0.000125990
 C     -0.499870     -0.570361      0.552332    0.00  -0.000004457  -0.000002574   0.000062623
 C     -0.276278      0.694727      1.413800    0.00  -0.000065351  -0.000028145   0.000196968
 H     -2.402204      0.899909     -1.969574    0.00  -0.000007023  -0.000014151  -0.000037406
 H     -2.409351      2.140723      0.221596    0.00  -0.000002299  -0.000001378  -0.000019606
 H     -1.415836      2.968724     -0.982165    0.00  -0.000010897  -0.000023783  -0.000019491
 H      0.669222      2.008776     -0.025479    0.00  -0.000018751  -0.000021825   0.000011513
 H     -0.241984      2.855333      1.236393    0.00  -0.000010035  -0.000011247   0.000006996
 H     -2.593752     -0.403288      0.190255    0.00   0.000010922   0.000005214  -0.000016455
 H     -1.079463      0.716730      2.178544    0.00   0.000003705   0.000011496   0.000011867
 H      0.671922      0.597908      1.981038    0.00  -0.000002146  -0.000004449   0.000027850
 H     -0.638714      0.766283     -1.914803    0.00  -0.000014417  -0.000026796  -0.000014687
 O     -0.782857     -1.657516      1.422442    0.00  -0.000748361   0.000891011  -0.000364215
 C     -1.803080     -1.706070     -1.331434    0.00  -0.000022086  -0.000048745  -0.000096491
 H     -1.774431     -2.620672     -0.721429    0.00  -0.000017878  -0.000053293  -0.000075784
 H     -2.758983     -1.702664     -1.867888    0.00  -0.000035447  -0.000034338   0.000068062
 H     -1.006594     -1.764871     -2.080771    0.00   0.000058573   0.000052048  -0.000009204
 H     -0.006248     -2.278015      1.505132    0.00   0.000242455  -0.000099639   0.000063936
 O      0.865728     -0.736195      0.092185    0.00  -0.000067192   0.000047100  -0.000000491
 O      1.043234     -1.529768     -1.067358    0.00   0.000365389   0.000873392   0.000533439
 C      1.217706     -2.871616     -0.792644    0.00   0.000249932   0.000510903   0.000694394
 H      1.540642     -3.323384     -1.738767    0.00   0.000091701   0.000139469   0.000204556
 O      1.012260     -3.390912      0.275502    0.00   0.000247965  -0.001686275  -0.000751855
26
 Energy =       -0.20562934075
 C     -0.264729      1.970495      0.572540    0.00  -0.000132101  -0.000165449   0.000094481
 C     -1.473987      2.050834     -0.367878    0.00  -0.000076645  -0.000173036  -0.000170833
 C     -1.540922      0.818355     -1.278071    0.00  -0.000053487  -0.000158639  -0.000226652
 C     -1.668110     -0.468568     -0.447052    0.00   0.000066915   0.000013912  -0.000093052
 C     -0.500108     -0.570518      0.552437    0.00  -0.000008757   0.000039415   0.000053573
 C     -0.277232      0.693386      1.415419    0.00  -0.000080952   0.000002118   0.000213191
 H     -2.398016      0.901247     -1.971668    0.00  -0.000002749  -0.000015290  -0.000035674
 H     -2.407615      2.141526      0.220029    0.00   0.000000806  -0.000003724  -0.000021087
 H     -1.411561      2.969123     -0.981892    0.00  -0.000011947  -0.000027388  -0.000021060
 H      0.671212      2.006944     -0.022459    0.00  -0.000018653  -0.000024812   0.000013960
 H     -0.241099      2.854155      1.238228    0.00  -0.000011690  -0.000013288   0.000011120
 H     -2.593825     -0.401550      0.188550    0.00   0.000013850   0.000005893  -0.000013931
 H     -1.081736      0.716000      2.178652    0.00   0.000000821   0.000015272   0.000013646
 H      0.670051      0.596288      1.983974    0.00  -0.000006053  -0.000000894   0.000032047
 H     -0.634708      0.766093     -1.913903    0.00  -0.000013642  -0.000025581  -0.000012025
 O     -0.784313     -1.662521      1.415948    0.00  -0.000631530   0.000714080  -0.000332464
 C     -1.802544     -1.705542     -1.331860    0.00   0.000046747   0.000027444  -0.000059967
 H     -1.764942     -2.620096     -0.722160    0.00  -0.000007764  -0.000032911  -0.000059157
 H     -2.762268     -1.706925     -1.861374    0.00  -0.000020587  -0.000024615   0.000053802
 H     -1.011111     -1.760010     -2.086854    0.00   0.000051253   0.000047395  -0.000002865
 H      0.002413     -2.266414      1.519900    0.00   0.000173727  -0.000063617   0.000046359
 O      0.865383     -0.736362      0.091278    0.00   0.000031702   0.000180338  -0.000093374
 O      1.035242     -1.530412     -1.069102    0.00   0.000256335   0.000845828   0.000492176
 C      1.210101     -2.871957     -0.792161    0.00   0.000154360   0.000301713   0.000622215
 H      1.515574     -3.328425     -1.741671    0.00   0.000066145   0.000095611   0.000177097
 O      1.023075     -3.384992      0.282229    0.00   0.000213897  -0.001559777  -0.000681526
26
 Energy =      -0.205734494029
 C     -0.263478      1.969224      0.574744    0.00  -0.000133314  -0.000174677   0.000107679
 C     -1.470977      2.051268     -0.367870    0.00  -0.000064157  -0.000189198  -0.000167049
 C     -1.537912      0.819197     -1.278611    0.00  -0.000029089  -0.000154534  -0.000200630
 C     -1.668168     -0.467544     -0.447846    0.00   0.000090169   0.000039260  -0.000061615
 C     -0.500676     -0.570874      0.552225    0.00  -0.000011188   0.000074203   0.000046337
 C     -0.278504      0.691609      1.417100    0.00  -0.000093197   0.000024424   0.000213052
 H     -2.393610      0.903245     -1.973759    0.00   0.000000953  -0.000016007  -0.000033354
 H     -2.405546      2.142939      0.218385    0.00   0.000003475  -0.000005844  -0.000021903
 H     -1.406296      2.969691     -0.981456    0.00  -0.000012385  -0.000029590  -0.000021627
 H      0.673534      2.004954     -0.018634    0.00  -0.000017661  -0.000026368   0.000015248
 H     -0.240162      2.852571      1.240829    0.00  -0.000012701  -0.000014543   0.000013974
 H     -2.594316     -0.399343      0.186844    0.00   0.000016410   0.000006090  -0.000011376
 H     -1.084557      0.714675      2.178600    0.00  -0.000001628   0.000017082   0.000013925
 H      0.667635      0.593781      1.987264    0.00  -0.000009160   0.000002191   0.000033179
 H     -0.630544      0.765832     -1.912754    0.00  -0.000012523  -0.000023912  -0.000009273
 O     -0.785285     -1.667333      1.409734    0.00  -0.000537525   0.000586407  -0.000300285
 C     -1.803070     -1.704618     -1.332582    0.00   0.000109384   0.000088380  -0.000024062
 H     -1.758014     -2.619221     -0.723402    0.00   0.000000061  -0.000015644  -0.000040886
 H     -2.766065     -1.709706     -1.856010    0.00  -0.000005775  -0.000013316   0.000040354
 H     -1.016102     -1.755540     -2.092481    0.00   0.000042657   0.000041164   0.000000636
 H      0.009430     -2.256846      1.531775    0.00   0.000124479  -0.000042978   0.000031871
 O      0.864434     -0.735986      0.089101    0.00   0.000094957   0.000279252  -0.000151255
 O      1.026988     -1.531770     -1.071206    0.00   0.000158909   0.000800252   0.000450112
 C      1.203919     -2.872494     -0.790772    0.00   0.000075369   0.000133123   0.000540774
 H      1.493851     -3.333947     -1.742599    0.00   0.000042582   0.000062496   0.000148052
 O      1.034449     -3.378983      0.289502    0.00   0.000180900  -0.001447713  -0.000611878
26
 Energy =      -0.205829182935
 C     -0.262108      1.967814      0.577318    0.00  -0.000131198  -0.000176755   0.000111400
 C     -1.467650      2.051928     -0.367691    0.00  -0.000049930  -0.000197900  -0.000159239
 C     -1.534972      0.820297     -1.279009    0.00  -0.000004852  -0.000146487  -0.000174132
 C     -1.668775     -0.466338     -0.448645    0.00   0.000111436   0.000057533  -0.000035019
 C     -0.501578     -0.571415      0.551691    0.00  -0.000012507   0.000101013   0.000039941
 C     -0.279956      0.689473      1.418730    0.00  -0.000103305   0.000038729   0.000200852
 H     -2.389192      0.905870     -1.975749    0.00   0.000004190  -0.000016204  -0.000030477
 H     -2.403211      2.144944      0.216765    0.00   0.000005568  -0.000007739  -0.000021925
 H     -1.400275      2.970444     -0.980860    0.00  -0.000012189  -0.000030610  -0.000021218
 H      0.676093      2.002928     -0.014236    0.00  -0.000016372  -0.000026508   0.000015458
 H     -0.239174      2.850651      1.244066    0.00  -0.000013372  -0.000015184   0.000015451
 H     -2.595232     -0.396672      0.185249    0.00   0.000018459   0.000005789  -0.000009064
 H     -1.087649      0.712848      2.178418    0.00  -0.000003667   0.000017141   0.000013226
 H      0.664923      0.590514      1.990623    0.00  -0.000011646   0.000004555   0.000031855
 H     -0.626428      0.765534     -1.911400    0.00  -0.000010942  -0.000021725  -0.000006771
 O     -0.785914     -1.671946      1.403787    0.00  -0.000466291   0.000504817  -0.000273009
 C     -1.804717     -1.703277     -1.333530    0.00   0.000161899   0.000133170   0.000008978
 H     -1.754152     -2.618026     -0.724976    0.00   0.000006140  -0.000002156  -0.000023761
 H     -2.770268     -1.710744     -1.852107    0.00   0.000007260  -0.000002802   0.000028974
 H     -1.021318     -1.751691     -2.097291    0.00   0.000034306   0.000034780   0.000002396
 H      0.015273     -2.248888      1.541278    0.00   0.000091501  -0.000030911   0.000021602
 O      0.862929     -0.735230      0.085857    0.00   0.000129377   0.000344113  -0.000181759
 O      1.018782     -1.533805     -1.073555    0.00   0.000077151   0.000743371   0.000411029
 C      1.199343     -2.873239     -0.788584    0.00   0.000015668   0.000006422   0.000460844
 H      1.475938     -3.339841     -1.741744    0.00   0.000023331   0.000039026   0.000121392
 O      1.046195     -3.372997      0.297152    0.00   0.000149985  -0.001355477  -0.000547024
26
 Energy =      -0.205916520004
 C     -0.260642      1.966323      0.580106    0.00  -0.000128265  -0.000173761   0.000108202
 C     -1.464159      2.052808     -0.367337    0.00  -0.000035762  -0.000201099  -0.000148034
 C     -1.532244      0.821650     -1.279256    0.00   0.000018484  -0.000135554  -0.000148744
 C     -1.669895     -0.464944     -0.449417    0.00   0.000129056   0.000069870  -0.000014636
 C     -0.502764     -0.572107      0.550854    0.00  -0.000013126   0.000120490   0.000033920
 C     -0.281433      0.687070      1.420221    0.00  -0.000111680   0.000046555   0.000181960
 H     -2.384983      0.909041     -1.977545    0.00   0.000007058  -0.000015915  -0.000027230
 H     -2.400692      2.147447      0.215296    0.00   0.000007053  -0.000009420  -0.000021152
 H     -1.393803      2.971388     -0.980090    0.00  -0.000011439  -0.000030762  -0.000020063
 H      0.678783      2.000929     -0.009553    0.00  -0.000015205  -0.000025559   0.000014827
 H     -0.238089      2.848482      1.247745    0.00  -0.000013906  -0.000015461   0.000015718
 H     -2.596516     -0.393587      0.183849    0.00   0.000019882   0.000005163  -0.000007131
 H     -1.090719      0.710647      2.178155    0.00  -0.000005303   0.000016046   0.000012072
 H      0.662182      0.586665      1.993792    0.00  -0.000013636   0.000006145   0.000029064
 H     -0.622568      0.765267     -1.909936    0.00  -0.000008968  -0.000019160  -0.000004733
 O     -0.786366     -1.676379      1.398019    0.00  -0.000412894   0.000457741  -0.000251474
 C     -1.807405     -1.701548     -1.334621    0.00   0.000202344   0.000164204   0.000036359
 H     -1.753359     -2.616521     -0.726693    0.00   0.000011331   0.000007900  -0.000009998
 H     -2.774774     -1.710049     -1.849695    0.00   0.000017331   0.000005044   0.000019904
 H     -1.026571     -1.748549     -2.101124    0.00   0.000027379   0.000029238   0.000003821
 H      0.020210     -2.242148      1.548949    0.00   0.000070278  -0.000023151   0.000015125
 O      0.860983     -0.734260      0.081834    0.00   0.000143608   0.000381178  -0.000193792
 O      1.010872     -1.536421     -1.076016    0.00   0.000011767   0.000683119   0.000376976
 C      1.196323     -2.874176     -0.785749    0.00  -0.000027244  -0.000084133   0.000390755
 H      1.461712     -3.345974     -1.739431    0.00   0.000009201   0.000022713   0.000099649
 O      1.058142     -3.367119      0.305023    0.00   0.000122657  -0.001281430  -0.000491363
26
 Energy =      -0.205998619573
 C     -0.259090      1.964785      0.582963    0.00  -0.000125670  -0.000167856   0.000100730
 C     -1.460633      2.053876     -0.366804    0.00  -0.000022817  -0.000200785  -0.000134560
 C     -1.529828      0.823241     -1.279365    0.00   0.000040112  -0.000123262  -0.000125335
 C     -1.671446     -0.463370     -0.450149    0.00   0.000142279   0.000077767  -0.000000098
 C     -0.504170     -0.572908      0.549753    0.00  -0.000013227   0.000133982   0.000028269
 C     -0.282817      0.684484      1.421524    0.00  -0.000118373   0.000049947   0.000160746
 H     -2.381157      0.912661     -1.979076    0.00   0.000009614  -0.000015270  -0.000023831
 H     -2.398061      2.150322      0.214087    0.00   0.000008009  -0.000010899  -0.000019752
 H     -1.387164      2.972514     -0.979123    0.00  -0.000010290  -0.000030348  -0.000018435
 H      0.681516      1.998965     -0.004852    0.00  -0.000014335  -0.000023925   0.000013650
 H     -0.236848      2.846136      1.251664    0.00  -0.000014377  -0.000015573   0.000015106
 H     -2.598081     -0.390176      0.182679    0.00   0.000020660   0.000004432  -0.000005579
 H     -1.093558      0.708193      2.177862    0.00  -0.000006571   0.000014393   0.000010777
 H      0.659609      0.582403      1.996605    0.00  -0.000015188   0.000007105   0.000025699
 H     -0.619127      0.765100     -1.908461    0.00  -0.000006778  -0.000016452  -0.000003201
 O     -0.786782     -1.680662      1.392341    0.00  -0.000371769   0.000432122  -0.000234457
 C     -1.810962     -1.699480     -1.335793    0.00   0.000231170   0.000184733   0.000056254
 H     -1.755259     -2.614737     -0.728435    0.00   0.000015974   0.000015214  -0.000000275
 H     -2.779491     -1.707836     -1.848604    0.00   0.000024286   0.000009854   0.000012845
 H     -1.031755     -1.746066     -2.104020    0.00   0.000022278   0.000024856   0.000005489
 H      0.024387     -2.236310      1.555260    0.00   0.000056715  -0.000017554   0.000011393
 O      0.858726     -0.733210      0.077309    0.00   0.000145332   0.000398764  -0.000194875
 O      1.003390     -1.539498     -1.078472    0.00  -0.000038974   0.000625569   0.000348680
 C      1.194650     -2.875273     -0.782420    0.00  -0.000057638  -0.000147035   0.000334102
 H      1.450661     -3.352244     -1.736007    0.00  -0.000000447   0.000011256   0.000083255
 O      1.070178     -3.361388      0.312998    0.00   0.000100026  -0.001221035  -0.000446595
26
 Energy =      -0.206076796266
 C     -0.257458      1.963219      0.585792    0.00  -0.000123658  -0.000160619   0.000091145
 C     -1.457162      2.055100     -0.366089    0.00  -0.000011538  -0.000198446  -0.000119944
 C     -1.527774      0.825044     -1.279349    0.00   0.000059487  -0.000110885  -0.000104165
 C     -1.673329     -0.461638     -0.450847    0.00   0.000151270   0.000082589   0.000009726
 C     -0.505734     -0.573786      0.548431    0.00  -0.000012989   0.000142839   0.000023043
 C     -0.284043      0.681780      1.422627    0.00  -0.000123371   0.000050622   0.000139896
 H     -2.377818      0.916643     -1.980302    0.00   0.000011858  -0.000014443  -0.000020480
 H     -2.395368      2.153440      0.213219    0.00   0.000008550  -0.000012187  -0.000017946
 H     -1.380567      2.973807     -0.977938    0.00  -0.000008919  -0.000029602  -0.000016582
 H      0.684234      1.997014     -0.000319    0.00  -0.000013747  -0.000021948   0.000012207
 H     -0.235388      2.843671      1.255671    0.00  -0.000014803  -0.000015619   0.000013947
 H     -2.599844     -0.386538      0.181736    0.00   0.000020870   0.000003751  -0.000004338
 H     -1.096052      0.705587      2.177567    0.00  -0.000007518   0.000012592   0.000009491
 H      0.657316      0.577863      1.998996    0.00  -0.000016351   0.000007639   0.000022313
 H     -0.616193      0.765093     -1.907053    0.00  -0.000004534  -0.000013796  -0.000002082
 O     -0.787258     -1.684816      1.386689    0.00  -0.000338617   0.000417731  -0.000220420
 C     -1.815186     -1.697131     -1.337021    0.00   0.000250274   0.000197551   0.000068375
 H     -1.759308     -2.612713     -0.730165    0.00   0.000019950   0.000020424   0.000005907
 H     -2.784336     -1.704390     -1.848594    0.00   0.000028674   0.000012314   0.000007375
 H     -1.036827     -1.744109     -2.106136    0.00   0.000018809   0.000021534   0.000007212
 H      0.027888     -2.231145      1.560576    0.00   0.000047815  -0.000013181   0.000009368
 O      0.856267     -0.732171      0.072489    0.00   0.000140067   0.000404186  -0.000190201
 O      0.996369     -1.542939     -1.080854    0.00  -0.000077880   0.000573975   0.000325973
 C      1.194069     -2.876503     -0.778719    0.00  -0.000079230  -0.000190130   0.000290523
 H      1.442161     -3.358587     -1.731756    0.00  -0.000006814   0.000003055   0.000071349
 O      1.082240     -3.355805      0.321010    0.00   0.000082343  -0.001169945  -0.000411691
26
 Energy =      -0.206151832596
 C     -0.255750      1.961634      0.588534    0.00  -0.000122023  -0.000152989   0.000080910
 C     -1.453799      2.056444     -0.365192    0.00  -0.000001943  -0.000195000  -0.000105030
 C     -1.526097      0.827039     -1.279221    0.00   0.000076408  -0.000099204  -0.000085232
 C     -1.675462     -0.459778     -0.451520    0.00   0.000156639   0.000085297   0.000016044
 C     -0.507407     -0.574710      0.546926    0.00  -0.000012541   0.000148216   0.000018291
 C     -0.285083      0.679003      1.423538    0.00  -0.000126817   0.000049782   0.000120672
 H     -2.375011      0.920917     -1.981205    0.00   0.000013789  -0.000013564  -0.000017295
 H     -2.392648      2.156706      0.212739    0.00   0.000008786  -0.000013292  -0.000015949
 H     -1.374150      2.975251     -0.976523    0.00  -0.000007470  -0.000028677  -0.000014651
 H      0.686906      1.995046      0.003937    0.00  -0.000013356  -0.000019859   0.000010699
 H     -0.233670      2.841128      1.259661    0.00  -0.000015169  -0.000015627   0.000012518
 H     -2.601739     -0.382775      0.180992    0.00   0.000020629   0.000003196  -0.000003333
 H     -1.098167      0.702898      2.177286    0.00  -0.000008210   0.000010858   0.000008272
 H      0.655342      0.573136      2.000959    0.00  -0.000017178   0.000007914   0.000019182
 H     -0.613799      0.765284     -1.905759    0.00  -0.000002354  -0.000011325  -0.000001262
 O     -0.787840     -1.688855      1.381034    0.00  -0.000310652   0.000408098  -0.000208248
 C     -1.819886     -1.694546     -1.338308    0.00   0.000261891   0.000204794   0.000073601
 H     -1.764968     -2.610490     -0.731905    0.00   0.000023084   0.000024038   0.000009442
 H     -2.789239     -1.699991     -1.849440    0.00   0.000031219   0.000013305   0.000003115
 H     -1.041768     -1.742519     -2.107660    0.00   0.000016565   0.000019027   0.000008631
 H      0.030782     -2.226492      1.565155    0.00   0.000041674  -0.000009628   0.000008314
 O      0.853683     -0.731196      0.067511    0.00   0.000131272   0.000402615  -0.000182936
 O      0.989777     -1.546667     -1.083125    0.00  -0.000107782   0.000529287   0.000308140
 C      1.194341     -2.877842     -0.774737    0.00  -0.000094661  -0.000219399   0.000257792
 H      1.435632     -3.364974     -1.726892    0.00  -0.000010985  -0.000002915   0.000062764
 O      1.094295     -3.350355      0.329023    0.00   0.000069185  -0.001124948  -0.000384456
26
 Energy =       -0.20622418767
 C     -0.253969      1.960033      0.591161    0.00  -0.000120470  -0.000145438   0.000070926
 C     -1.450573      2.057884     -0.364116    0.00   0.000006155  -0.000190942  -0.000090358
 C     -1.524786      0.829206     -1.278992    0.00   0.000090909  -0.000088589  -0.000068392
 C     -1.677776     -0.457815     -0.452183    0.00   0.000159127   0.000086544   0.000019849
 C     -0.509151     -0.575664      0.545273    0.00  -0.000011981   0.000151005   0.000013980
 C     -0.285933      0.676183      1.424271    0.00  -0.000128925   0.000048150   0.000103466
 H     -2.372739      0.925430     -1.981786    0.00   0.000015413  -0.000012715  -0.000014344
 H     -2.389921      2.160044      0.212667    0.00   0.000008802  -0.000014224  -0.000013910
 H     -1.367993      2.976826     -0.974870    0.00  -0.000006037  -0.000027670  -0.000012729
 H      0.689514      1.993043      0.007864    0.00  -0.000013066  -0.000017797   0.000009250
 H     -0.231678      2.838533      1.263576    0.00  -0.000015466  -0.000015596   0.000011011
 H     -2.603720     -0.378967      0.180413    0.00   0.000020058   0.000002785  -0.000002505
 H     -1.099908      0.700170      2.177023    0.00  -0.000008707   0.000009275   0.000007146
 H      0.653687      0.568286      2.002522    0.00  -0.000017730   0.000008037   0.000016389
 H     -0.611938      0.765692     -1.904602    0.00  -0.000000303  -0.000009098  -0.000000643
 O     -0.788545     -1.692784      1.375367    0.00  -0.000286234   0.000399749  -0.000197297
 C     -1.824905     -1.691764     -1.339670    0.00   0.000267982   0.000208035   0.000073343
 H     -1.771781     -2.608103     -0.733700    0.00   0.000025336   0.000026460   0.000011154
 H     -2.794142     -1.694868     -1.850962    0.00   0.000032520   0.000013484  -0.000000233
 H     -1.046567     -1.741153     -2.108772    0.00   0.000015159   0.000017103   0.000009545
 H      0.033130     -2.222244      1.569175    0.00   0.000037173  -0.000006693   0.000007770
 O      0.851023     -0.730313      0.062448    0.00   0.000120913   0.000397252  -0.000174827
 O      0.983559     -1.550638     -1.085276    0.00  -0.000131027   0.000491127   0.000294235
 C      1.195267     -2.879277     -0.770536    0.00  -0.000105708  -0.000239045   0.000233363
 H      1.430612     -3.371403     -1.721560    0.00  -0.000013728  -0.000007322   0.000056506
 O      1.106328     -3.345007      0.337022    0.00   0.000059837  -0.001083877  -0.000362696
26
 Energy =      -0.206294132705
 C     -0.252119      1.958421      0.593664    0.00  -0.000118756  -0.000138168   0.000061677
 C     -1.447499      2.059397     -0.362862    0.00   0.000012992  -0.000186523  -0.000076232
 C     -1.523819      0.831523     -1.278668    0.00   0.000103160  -0.000079142  -0.000053467
 C     -1.680219     -0.455777     -0.452843    0.00   0.000159414   0.000086770   0.000021868
 C     -0.510942     -0.576633      0.543498    0.00  -0.000011405   0.000151883   0.000010048
 C     -0.286598      0.673340      1.424842    0.00  -0.000129940   0.000046122   0.000088223
 H     -2.370983      0.930142     -1.982051    0.00   0.000016746  -0.000011934  -0.000011657
 H     -2.387204      2.163405      0.213005    0.00   0.000008661  -0.000014986  -0.000011915
 H     -1.362139      2.978520     -0.972979    0.00  -0.000004674  -0.000026631  -0.000010867
 H      0.692052      1.990991      0.011443    0.00  -0.000012800  -0.000015839   0.000007923
 H     -0.229409      2.835902      1.267388    0.00  -0.000015687  -0.000015511   0.000009546
 H     -2.605755     -0.375181      0.179964    0.00   0.000019261   0.000002496  -0.000001813
 H     -1.101296      0.697430      2.176780    0.00  -0.000009064   0.000007867   0.000006122
 H      0.652337      0.563354      2.003719    0.00  -0.000018062   0.000008067   0.000013930
 H     -0.610587      0.766329     -1.903586    0.00   0.000001588  -0.000007135  -0.000000157
 O     -0.789370     -1.696606      1.369697    0.00  -0.000264410   0.000391088  -0.000187238
 C     -1.830118     -1.688813     -1.341127    0.00   0.000270072   0.000208410   0.000069093
 H     -1.779390     -2.605583     -0.735603    0.00   0.000026793   0.000027999   0.000011665
 H     -2.798998     -1.689195     -1.853028    0.00   0.000033002   0.000013248  -0.000002895
 H     -1.051222     -1.739891     -2.109617    0.00   0.000014300   0.000015589   0.000009927
 H      0.034991     -2.218326      1.572755    0.00   0.000033680  -0.000004249   0.000007476
 O      0.848320     -0.729537      0.057345    0.00   0.000110077   0.000389917  -0.000166790
 O      0.977650     -1.554819     -1.087304    0.00  -0.000149369   0.000458500   0.000283310
 C      1.196698     -2.880797     -0.766159    0.00  -0.000113574  -0.000251897   0.000215065
 H      1.426750     -3.377876     -1.715855    0.00  -0.000015542  -0.000010618   0.000051854
 O      1.118327     -3.339740      0.345004    0.00   0.000053537  -0.001045321  -0.000344695
26
 Energy =      -0.206361831396
 C     -0.250211      1.956802      0.596043    0.00  -0.000116715  -0.000131239   0.000053381
 C     -1.444584      2.060969     -0.361435    0.00   0.000018783  -0.000181850  -0.000062800
 C     -1.523174      0.833978     -1.278253    0.00   0.000113371  -0.000070831  -0.000040284
 C     -1.682752     -0.453680     -0.453510    0.00   0.000158077   0.000086260   0.000022637
 C     -0.512761     -0.577609      0.541620    0.00  -0.000010844   0.000151326   0.000006406
 C     -0.287093      0.670484      1.425270    0.00  -0.000130090   0.000043919   0.000074732
 H     -2.369714      0.935022     -1.982016    0.00   0.000017813  -0.000011237  -0.000009241
 H     -2.384508      2.166750      0.213746    0.00   0.000008409  -0.000015589  -0.000010015
 H     -1.356610      2.980320     -0.970854    0.00  -0.000003402  -0.000025585  -0.000009085
 H      0.694513      1.988893      0.014680    0.00  -0.000012509  -0.000014021   0.000006739
 H     -0.226876      2.833248      1.271086    0.00  -0.000015827  -0.000015367   0.000008191
 H     -2.607821     -0.371462      0.179618    0.00   0.000018320   0.000002307  -0.000001232
 H     -1.102360      0.694692      2.176556    0.00  -0.000009322   0.000006618   0.000005196
 H      0.651269      0.558367      2.004586    0.00  -0.000018223   0.000008039   0.000011761
 H     -0.609712      0.767199     -1.902707    0.00   0.000003308  -0.000005431   0.000000236
 O     -0.790303     -1.700321      1.364033    0.00  -0.000244652   0.000381566  -0.000177924
 C     -1.835433     -1.685711     -1.342697    0.00   0.000269277   0.000206733   0.000062160
 H     -1.787526     -2.602953     -0.737656    0.00   0.000027590   0.000028886   0.000011405
 H     -2.803770     -1.683107     -1.855540    0.00   0.000032946   0.000012810  -0.000005027
 H     -1.055730     -1.738640     -2.110307    0.00   0.000013787   0.000014362   0.000009849
 H      0.036418     -2.214684      1.575978    0.00   0.000030843  -0.000002211   0.000007291
 O      0.845593     -0.728873      0.052221    0.00   0.000099306   0.000381568  -0.000159224
 O      0.971996     -1.559194     -1.089219    0.00  -0.000164060   0.000430329   0.000274539
 C      1.198516     -2.882397     -0.761635    0.00  -0.000119060  -0.000259896   0.000201199
 H      1.423780     -3.384405     -1.709843    0.00  -0.000016729  -0.000013110   0.000048313
 O      1.130287     -3.334527      0.352967    0.00   0.000049605  -0.001008356  -0.000329202
26
 Energy =      -0.206427385606
 C     -0.248252      1.955180      0.598307    0.00  -0.000114273  -0.000124640   0.000046092
 C     -1.441828      2.062587     -0.359838    0.00   0.000023709  -0.000176976  -0.000050134
 C     -1.522823      0.836557     -1.277754    0.00   0.000121770  -0.000063557  -0.000028667
 C     -1.685346     -0.451541     -0.454187    0.00   0.000155542   0.000085204   0.000022520
 C     -0.514591     -0.578585      0.539653    0.00  -0.000010334   0.000149699   0.000003003
 C     -0.287425      0.667626      1.425566    0.00  -0.000129569   0.000041649   0.000062741
 H     -2.368898      0.940048     -1.981698    0.00   0.000018639  -0.000010620  -0.000007085
 H     -2.381843      2.170053      0.214876    0.00   0.000008077  -0.000016041  -0.000008230
 H     -1.351416      2.982216     -0.968498    0.00  -0.000002231  -0.000024550  -0.000007396
 H      0.696894      1.986753      0.017588    0.00  -0.000012163  -0.000012353   0.000005700
 H     -0.224101      2.830578      1.274672    0.00  -0.000015887  -0.000015160   0.000006977
 H     -2.609900     -0.367844      0.179352    0.00   0.000017295   0.000002187  -0.000000745
 H     -1.103127      0.691961      2.176350    0.00  -0.000009515   0.000005508   0.000004363
 H      0.650462      0.553345      2.005154    0.00  -0.000018251   0.000007971   0.000009835
 H     -0.609275      0.768300     -1.901957    0.00   0.000004858  -0.000003966   0.000000564
 O     -0.791331     -1.703929      1.358384    0.00  -0.000226621   0.000371106  -0.000169290
 C     -1.840782     -1.682477     -1.344393    0.00   0.000266402   0.000203579   0.000053591
 H     -1.795988     -2.600231     -0.739894    0.00   0.000027875   0.000029292   0.000010668
 H     -2.808434     -1.676698     -1.858422    0.00   0.000032536   0.000012280  -0.000006742
 H     -1.060090     -1.737335     -2.110927    0.00   0.000013487   0.000013342   0.000009423
 H      0.037460     -2.211278      1.578902    0.00   0.000028461  -0.000000500   0.000007148
 O      0.842855     -0.728321      0.047085    0.00   0.000088890   0.000372696  -0.000152300
 O      0.966552     -1.563749     -1.091026    0.00  -0.000175955   0.000405600   0.000267257
 C      1.200634     -2.884071     -0.756985    0.00  -0.000122735  -0.000264347   0.000190535
 H      1.421512     -3.390997     -1.703568    0.00  -0.000017486  -0.000015014   0.000045548
 O      1.142199     -3.329351      0.360914    0.00   0.000047478  -0.000972388  -0.000315377
26
 Energy =      -0.206490860806
 C     -0.246252      1.953558      0.600463    0.00  -0.000111410  -0.000118349   0.000039785
 C     -1.439232      2.064243     -0.358079    0.00   0.000027905  -0.000171927  -0.000038260
 C     -1.522743      0.839250     -1.277172    0.00   0.000128559  -0.000057196  -0.000018460
 C     -1.687977     -0.449373     -0.454881    0.00   0.000152134   0.000083724   0.000021785
 C     -0.516422     -0.579559      0.537610    0.00  -0.000009877   0.000147271  -0.000000209
 C     -0.287607      0.664771      1.425743    0.00  -0.000128523   0.000039373   0.000052021
 H     -2.368498      0.945201     -1.981113    0.00   0.000019254  -0.000010076  -0.000005172
 H     -2.379218      2.173294      0.216380    0.00   0.000007690  -0.000016355  -0.000006571
 H     -1.346559      2.984199     -0.965918    0.00  -0.000001160  -0.000023528  -0.000005802
 H      0.699192      1.984586      0.020188    0.00  -0.000011754  -0.000010835   0.000004796
 H     -0.221110      2.827899      1.278154    0.00  -0.000015867  -0.000014891   0.000005914
 H     -2.611983     -0.364353      0.179147    0.00   0.000016231   0.000002113  -0.000000339
 H     -1.103614      0.689238      2.176163    0.00  -0.000009663   0.000004516   0.000003612
 H      0.649899      0.548301      2.005447    0.00  -0.000018173   0.000007874   0.000008109
 H     -0.609241      0.769630     -1.901325    0.00   0.000006241  -0.000002719   0.000000843
 O     -0.792438     -1.707433      1.352758    0.00  -0.000210097   0.000359847  -0.000161286
 C     -1.846117     -1.679123     -1.346223    0.00   0.000262012   0.000199354   0.000044180
 H     -1.804634     -2.597432     -0.742339    0.00   0.000027773   0.000029339   0.000009647
 H     -2.812975     -1.670041     -1.861621    0.00   0.000031890   0.000011712  -0.000008121
 H     -1.064301     -1.735929     -2.111538    0.00   0.000013313   0.000012474   0.000008751
 H      0.038162     -2.208077      1.581572    0.00   0.000026409   0.000000935   0.000007009
 O      0.840118     -0.727880      0.041937    0.00   0.000078956   0.000363524  -0.000146033
 O      0.961280     -1.568477     -1.092736    0.00  -0.000185638   0.000383493   0.000260943
 C      1.202986     -2.885819     -0.752222    0.00  -0.000124992  -0.000266166   0.000182184
 H      1.419801     -3.397662     -1.697060    0.00  -0.000017927  -0.000016477   0.000043332
 O      1.154055     -3.324195      0.368847    0.00   0.000046714  -0.000937031  -0.000302659
26
 Energy =      -0.206552300161
 C     -0.244221      1.951942      0.602522    0.00  -0.000108154  -0.000112325   0.000034376
 C     -1.436796      2.065928     -0.356160    0.00   0.000031476  -0.000166719  -0.000027185
 C     -1.522912      0.842049     -1.276511    0.00   0.000133919  -0.000051634  -0.000009508
 C     -1.690629     -0.447183     -0.455594    0.00   0.000148106   0.000081930   0.000020624
 C     -0.518245     -0.580526      0.535497    0.00  -0.000009485   0.000144214  -0.000003252
 C     -0.287646      0.661920      1.425810    0.00  -0.000127067   0.000037122   0.000042384
 H     -2.368483      0.950464     -1.980279    0.00   0.000019679  -0.000009595  -0.000003483
 H     -2.376642      2.176457      0.218240    0.00   0.000007263  -0.000016541  -0.000005036
 H     -1.342042      2.986263     -0.963118    0.00  -0.000000187  -0.000022526  -0.000004305
 H      0.701403      1.982404      0.022500    0.00  -0.000011281  -0.000009459   0.000004014
 H     -0.217926      2.825213      1.281541    0.00  -0.000015774  -0.000014565   0.000004998
 H     -2.614059     -0.360999      0.178990    0.00   0.000015155   0.000002067  -0.000000004
 H     -1.103839      0.686519      2.175997    0.00  -0.000009781   0.000003624   0.000002935
 H      0.649567      0.543248      2.005482    0.00  -0.000018010   0.000007758   0.000006551
 H     -0.609574      0.771186     -1.900797    0.00   0.000007468  -0.000001665   0.000001082
 O     -0.793612     -1.710834      1.347162    0.00  -0.000194914   0.000347962  -0.000153877
 C     -1.851402     -1.675660     -1.348192    0.00   0.000256509   0.000194345   0.000034479
 H     -1.813357     -2.594568     -0.745003    0.00   0.000027385   0.000029117   0.000008473
 H     -2.817381     -1.663192     -1.865089    0.00   0.000031086   0.000011132  -0.000009221
 H     -1.068369     -1.734390     -2.112186    0.00   0.000013207   0.000011720   0.000007924
 H      0.038562     -2.205054      1.584020    0.00   0.000024615   0.000002145   0.000006864
 O      0.837387     -0.727545      0.036777    0.00   0.000069568   0.000354159  -0.000140378
 O      0.956153     -1.573370     -1.094355    0.00  -0.000193497   0.000363361   0.000255216
 C      1.205525     -2.887636     -0.747357    0.00  -0.000126120  -0.000265994   0.000175513
 H      1.418537     -3.404406     -1.690340    0.00  -0.000018134  -0.000017605   0.000041506
 O      1.165848     -3.319047      0.376769    0.00   0.000046967  -0.000902030  -0.000290690
26
 Energy =      -0.206611732413
 C     -0.242170      1.950335      0.604492    0.00  -0.000104550  -0.000106534   0.000029770
 C     -1.434518      2.067637     -0.354089    0.00   0.000034500  -0.000161383  -0.000016902
 C     -1.523307      0.844945     -1.275776    0.00   0.000138006  -0.000046747  -0.000001680
 C     -1.693290     -0.444979     -0.456328    0.00   0.000143608   0.000079871   0.000019175
 C     -0.520053     -0.581485      0.533321    0.00  -0.000009148   0.000140695  -0.000006135
 C     -0.287549      0.659076      1.425774    0.00  -0.000125270   0.000034912   0.000033687
 H     -2.368822      0.955824     -1.979213    0.00   0.000019939  -0.000009164  -0.000001997
 H     -2.374122      2.179531      0.220439    0.00   0.000006810  -0.000016614  -0.000003628
 H     -1.337859      2.988403     -0.960106    0.00   0.000000692  -0.000021544  -0.000002904
 H      0.703526      1.980224      0.024546    0.00  -0.000010747  -0.000008215   0.000003339
 H     -0.214579      2.822524      1.284845    0.00  -0.000015615  -0.000014188   0.000004219
 H     -2.616122     -0.357791      0.178869    0.00   0.000014087   0.000002039   0.000000267
 H     -1.103819      0.683801      2.175850    0.00  -0.000009875   0.000002817   0.000002323
 H      0.649454      0.538191      2.005274    0.00  -0.000017778   0.000007627   0.000005131
 H     -0.610244      0.772962     -1.900361    0.00   0.000008546  -0.000000780   0.000001290
 O     -0.794841     -1.714136      1.341597    0.00  -0.000180933   0.000335622  -0.000147007
 C     -1.856614     -1.672098     -1.350301    0.00   0.000250180   0.000188748   0.000024883
 H     -1.822080     -2.591649     -0.747894    0.00   0.000026792   0.000028694   0.000007228
 H     -2.821649     -1.656190     -1.868792    0.00   0.000030172   0.000010556  -0.000010090
 H     -1.072297     -1.732699     -2.112901    0.00   0.000013132   0.000011052   0.000007009
 H      0.038694     -2.202191      1.586272    0.00   0.000023021   0.000003165   0.000006703
 O      0.834669     -0.727313      0.031603    0.00   0.000060740   0.000344640  -0.000135268
 O      0.951151     -1.578424     -1.095888    0.00  -0.000199808   0.000344713   0.000249808
 C      1.208207     -2.889520     -0.742397    0.00  -0.000126308  -0.000264272   0.000170038
 H      1.417640     -3.411236     -1.683425    0.00  -0.000018155  -0.000018473   0.000039964
 O      1.177569     -3.313898      0.384681    0.00   0.000047963  -0.000867237  -0.000279222
26
 Energy =      -0.206669176425
 C     -0.240105      1.948740      0.606384    0.00  -0.000100658  -0.000100954   0.000025863
 C     -1.432398      2.069367     -0.351869    0.00   0.000037035  -0.000155926  -0.000007405
 C     -1.523912      0.847932     -1.274967    0.00   0.000140951  -0.000042443   0.000005150
 C     -1.695948     -0.442766     -0.457083    0.00   0.000138783   0.000077608   0.000017543
 C     -0.521839     -0.582434      0.531085    0.00  -0.000008868   0.000136800  -0.000008862
 C     -0.287323      0.656242      1.425642    0.00  -0.000123193   0.000032757   0.000025817
 H     -2.369484      0.961273     -1.977931    0.00   0.000020052  -0.000008778  -0.000000694
 H     -2.371665      2.182505      0.222963    0.00   0.000006340  -0.000016586  -0.000002341
 H     -1.334007      2.990613     -0.956887    0.00   0.000001478  -0.000020584  -0.000001600
 H      0.705558      1.978059      0.026345    0.00  -0.000010165  -0.000007093   0.000002760
 H     -0.211091      2.819832      1.288076    0.00  -0.000015397  -0.000013766   0.000003560
 H     -2.618165     -0.354735      0.178778    0.00   0.000013040   0.000002017   0.000000483
 H     -1.103562      0.681079      2.175725    0.00  -0.000009950   0.000002087   0.000001767
 H      0.649552      0.533139      2.004837    0.00  -0.000017486   0.000007485   0.000003837
 H     -0.611222      0.774953     -1.900008    0.00   0.000009483  -0.000000043   0.000001472
 O     -0.796112     -1.717340      1.336067    0.00  -0.000168036   0.000322966  -0.000140621
 C     -1.861735     -1.668446     -1.352549    0.00   0.000243219   0.000182725   0.000015638
 H     -1.830747     -2.588681     -0.751015    0.00   0.000026050   0.000028113   0.000005971
 H     -2.825775     -1.649066     -1.872698    0.00   0.000029185   0.000009985  -0.000010763
 H     -1.076087     -1.730841     -2.113706    0.00   0.000013063   0.000010449   0.000006056
 H      0.038591     -2.199467      1.588350    0.00   0.000021594   0.000004028   0.000006526
 O      0.831968     -0.727179      0.026411    0.00   0.000052478   0.000334982  -0.000130617
 O      0.946259     -1.583633     -1.097341    0.00  -0.000204760   0.000327186   0.000244525
 C      1.211004     -2.891470     -0.737348    0.00  -0.000125694  -0.000261324   0.000165409
 H      1.417044     -3.418151     -1.676326    0.00  -0.000018029  -0.000019135   0.000038627
 O      1.189211     -3.308741      0.392583    0.00   0.000049485  -0.000832557  -0.000268102
26
 Energy =      -0.206724643805
 C     -0.238037      1.947162      0.608204    0.00  -0.000096540  -0.000095561   0.000022555
 C     -1.430434      2.071110     -0.349505    0.00   0.000039119  -0.000150372   0.000001319
 C     -1.524711      0.851004     -1.274090    0.00   0.000142869  -0.000038636   0.000011092
 C     -1.698597     -0.440547     -0.457861    0.00   0.000133714   0.000075182   0.000015803
 C     -0.523598     -0.583372      0.528794    0.00  -0.000008632   0.000132608  -0.000011423
 C     -0.286973      0.653415      1.425418    0.00  -0.000120868   0.000030666   0.000018688
 H     -2.370446      0.966800     -1.976445    0.00   0.000020034  -0.000008428   0.000000446
 H     -2.369275      2.185372      0.225794    0.00   0.000005859  -0.000016468  -0.000001173
 H     -1.330483      2.992891     -0.953466    0.00   0.000002177  -0.000019644  -0.000000391
 H      0.707496      1.975922      0.027915    0.00  -0.000009547  -0.000006079   0.000002263
 H     -0.207486      2.817140      1.291243    0.00  -0.000015127  -0.000013305   0.000003006
 H     -2.620183     -0.351832      0.178710    0.00   0.000012023   0.000001996   0.000000650
 H     -1.103078      0.678348      2.175622    0.00  -0.000010007   0.000001426   0.000001261
 H      0.649853      0.528096      2.004179    0.00  -0.000017143   0.000007335   0.000002654
 H     -0.612482      0.777155     -1.899726    0.00   0.000010290   0.000000568   0.000001633
 O     -0.797416     -1.720453      1.330570    0.00  -0.000156115   0.000310095  -0.000134658
 C     -1.866754     -1.664709     -1.354933    0.00   0.000235773   0.000176375   0.000006909
 H     -1.839316     -2.585672     -0.754363    0.00   0.000025202   0.000027410   0.000004738
 H     -2.829759     -1.641846     -1.876785    0.00   0.000028147   0.000009423  -0.000011267
 H     -1.079746     -1.728812     -2.114616    0.00   0.000012984   0.000009896   0.000005101
 H      0.038276     -2.196871      1.590270    0.00   0.000020305   0.000004758   0.000006334
 O      0.829288     -0.727139      0.021197    0.00   0.000044769   0.000325187  -0.000126341
 O      0.941464     -1.588993     -1.098719    0.00  -0.000208479   0.000310513   0.000239231
 C      1.213889     -2.893482     -0.732215    0.00  -0.000124396  -0.000257388   0.000161380
 H      1.416697     -3.425156     -1.669049    0.00  -0.000017778  -0.000019631   0.000037438
 O      1.200766     -3.303567      0.400477    0.00   0.000051367  -0.000797926  -0.000257247
26
 Energy =       -0.20677814062
 C     -0.235970      1.945602      0.609959    0.00  -0.000092254  -0.000090338   0.000019751
 C     -1.428622      2.072865     -0.347002    0.00   0.000040788  -0.000144736   0.000009278
 C     -1.525687      0.854155     -1.273146    0.00   0.000143856  -0.000035254   0.000016240
 C     -1.701229     -0.438327     -0.458663    0.00   0.000128467   0.000072623   0.000014013
 C     -0.525325     -0.584298      0.526450    0.00  -0.000008434   0.000128179  -0.000013810
 C     -0.286502      0.650600      1.425107    0.00  -0.000118321   0.000028644   0.000012237
 H     -2.371685      0.972394     -1.974770    0.00   0.000019902  -0.000008106   0.000001441
 H     -2.366957      2.188125      0.228919    0.00   0.000005374  -0.000016272  -0.000000122
 H     -1.327281      2.995230     -0.949850    0.00   0.000002789  -0.000018725   0.000000724
 H      0.709339      1.973827      0.029273    0.00  -0.000008902  -0.000005164   0.000001838
 H     -0.203783      2.814449      1.294357    0.00  -0.000014812  -0.000012812   0.000002542
 H     -2.622173     -0.349082      0.178661    0.00   0.000011038   0.000001976   0.000000775
 H     -1.102374      0.675602      2.175543    0.00  -0.000010044   0.000000829   0.000000799
 H      0.650350      0.523067      2.003308    0.00  -0.000016755   0.000007180   0.000001574
 H     -0.614002      0.779561     -1.899507    0.00   0.000010973   0.000001070   0.000001777
 O     -0.798743     -1.723474      1.325108    0.00  -0.000145072   0.000297093  -0.000129053
 C     -1.871662     -1.660895     -1.357449    0.00   0.000227938   0.000169773  -0.000001207
 H     -1.847756     -2.582627     -0.757934    0.00   0.000024280   0.000026613   0.000003551
 H     -2.833603     -1.634550     -1.881028    0.00   0.000027073   0.000008870  -0.000011626
 H     -1.083277     -1.726605     -2.115643    0.00   0.000012885   0.000009381   0.000004167
 H      0.037773     -2.194386      1.592047    0.00   0.000019131   0.000005373   0.000006128
 O      0.826633     -0.727189      0.015959    0.00   0.000037596   0.000315243  -0.000122355
 O      0.936758     -1.594498     -1.100024    0.00  -0.000211053   0.000294503   0.000233833
 C      1.216844     -2.895553     -0.727002    0.00  -0.000122497  -0.000252641   0.000157754
 H      1.416561     -3.432248     -1.661605    0.00  -0.000017421  -0.000019990   0.000036356
 O      1.212224     -3.298374      0.408363    0.00   0.000053473  -0.000763313  -0.000246604
26
 Energy =      -0.206829668494
 C     -0.233911      1.944063      0.611656    0.00  -0.000087853  -0.000085270   0.000017370
 C     -1.426962      2.074628     -0.344366    0.00   0.000042067  -0.000139039   0.000016489
 C     -1.526832      0.857380     -1.272137    0.00   0.000143995  -0.000032230   0.000020675
 C     -1.703839     -0.436108     -0.459487    0.00   0.000123087   0.000069955   0.000012216
 C     -0.527016     -0.585211      0.524056    0.00  -0.000008261   0.000123560  -0.000016009
 C     -0.285915      0.647795      1.424713    0.00  -0.000115564   0.000026696   0.000006411
 H     -2.373180      0.978050     -1.972916    0.00   0.000019667  -0.000007808   0.000002305
 H     -2.364715      2.190760      0.232324    0.00   0.000004888  -0.000016007   0.000000817
 H     -1.324394      2.997628     -0.946042    0.00   0.000003319  -0.000017828   0.000001747
 H      0.711087      1.971783      0.030433    0.00  -0.000008242  -0.000004338   0.000001477
 H     -0.199999      2.811760      1.297424    0.00  -0.000014458  -0.000012291   0.000002150
 H     -2.624133     -0.346485      0.178627    0.00   0.000010089   0.000001952   0.000000863
 H     -1.101457      0.672839      2.175487    0.00  -0.000010060   0.000000290   0.000000377
 H      0.651038      0.518055      2.002231    0.00  -0.000016325   0.000007022   0.000000591
 H     -0.615763      0.782166     -1.899342    0.00   0.000011540   0.000001478   0.000001905
 O     -0.800088     -1.726409      1.319678    0.00  -0.000134820   0.000284013  -0.000123746
 C     -1.876454     -1.657008     -1.360096    0.00   0.000219791   0.000162978  -0.000008661
 H     -1.856046     -2.579550     -0.761723    0.00   0.000023307   0.000025739   0.000002425
 H     -2.837309     -1.627193     -1.885410    0.00   0.000025972   0.000008328  -0.000011860
 H     -1.086684     -1.724221     -2.116790    0.00   0.000012761   0.000008896   0.000003273
 H      0.037101     -2.192004      1.593693    0.00   0.000018055   0.000005888   0.000005910
 O      0.824005     -0.727323      0.010695    0.00   0.000030945   0.000305146  -0.000118584
 O      0.932135     -1.600145     -1.101259    0.00  -0.000212554   0.000279017   0.000228270
 C      1.219851     -2.897682     -0.721711    0.00  -0.000120070  -0.000247222   0.000154397
 H      1.416601     -3.439430     -1.653996    0.00  -0.000016969  -0.000020234   0.000035349
 O      1.223579     -3.293156      0.416240    0.00   0.000055694  -0.000728691  -0.000236155
26
 Energy =      -0.206879225352
 C     -0.231866      1.942545      0.613300    0.00  -0.000083383  -0.000080347   0.000015338
 C     -1.425451      2.076398     -0.341599    0.00   0.000042977  -0.000133290   0.000022965
 C     -1.528129      0.860676     -1.271065    0.00   0.000143356  -0.000029517   0.000024472
 C     -1.706422     -0.433891     -0.460335    0.00   0.000117615   0.000067210   0.000010447
 C     -0.528670     -0.586112      0.521613    0.00  -0.000008111   0.000118775  -0.000018013
 C     -0.285215      0.644999      1.424239    0.00  -0.000112610   0.000024823   0.000001170
 H     -2.374915      0.983761     -1.970891    0.00   0.000019338  -0.000007530   0.000003051
 H     -2.362550      2.193274      0.235997    0.00   0.000004405  -0.000015681   0.000001647
 H     -1.321816      3.000084     -0.942048    0.00   0.000003768  -0.000016950   0.000002678
 H      0.712739      1.969799      0.031408    0.00  -0.000007576  -0.000003592   0.000001172
 H     -0.196152      2.809072      1.300450    0.00  -0.000014073  -0.000011748   0.000001820
 H     -2.626058     -0.344039      0.178605    0.00   0.000009179   0.000001925   0.000000917
 H     -1.100334      0.670054      2.175457    0.00  -0.000010051  -0.000000192  -0.000000011
 H      0.651912      0.513064      2.000952    0.00  -0.000015856   0.000006861  -0.000000299
 H     -0.617748      0.784965     -1.899225    0.00   0.000011999   0.000001804   0.000002021
 O     -0.801444     -1.729261      1.314281    0.00  -0.000125274   0.000270891  -0.000118677
 C     -1.881124     -1.653056     -1.362865    0.00   0.000211384   0.000156030  -0.000015426
 H     -1.864164     -2.576445     -0.765725    0.00   0.000022299   0.000024806   0.000001368
 H     -2.840879     -1.619788     -1.889916    0.00   0.000024853   0.000007794  -0.000011984
 H     -1.089972     -1.721661     -2.118067    0.00   0.000012605   0.000008433   0.000002428
 H      0.036281     -2.189714      1.595218    0.00   0.000017062   0.000006320   0.000005684
 O      0.821407     -0.727541      0.005401    0.00   0.000024795   0.000294894  -0.000114966
 O      0.927589     -1.605929     -1.102428    0.00  -0.000213031   0.000263941   0.000222500
 C      1.222895     -2.899866     -0.716346    0.00  -0.000117169  -0.000241217   0.000151189
 H      1.416791     -3.446699     -1.646230    0.00  -0.000016436  -0.000020381   0.000034392
 O      1.234826     -3.287911      0.424108    0.00   0.000057933  -0.000694062  -0.000225884
26
 Energy =      -0.206926805986
 C     -0.229837      1.941052      0.614896    0.00  -0.000078880  -0.000075559   0.000013597
 C     -1.424086      2.078169     -0.338706    0.00   0.000043538  -0.000127504   0.000028717
 C     -1.529572      0.864037     -1.269933    0.00   0.000141999  -0.000027067   0.000027690
 C     -1.708977     -0.431680     -0.461205    0.00   0.000112073   0.000064391   0.000008727
 C     -0.530283     -0.587001      0.519123    0.00  -0.000007966   0.000113861  -0.000019808
 C     -0.284404      0.642213      1.423687    0.00  -0.000109462   0.000023028  -0.000003520
 H     -2.376874      0.989520     -1.968706    0.00   0.000018927  -0.000007268   0.000003691
 H     -2.360465      2.195662      0.239927    0.00   0.000003929  -0.000015301   0.000002371
 H     -1.319541      3.002591     -0.937872    0.00   0.000004139  -0.000016091   0.000003518
 H      0.714293      1.967881      0.032210    0.00  -0.000006912  -0.000002919   0.000000918
 H     -0.192252      2.806387      1.303442    0.00  -0.000013659  -0.000011186   0.000001540
 H     -2.627947     -0.341741      0.178592    0.00   0.000008305   0.000001894   0.000000943
 H     -1.099008      0.667242      2.175449    0.00  -0.000010017  -0.000000621  -0.000000367
 H      0.652968      0.508096      1.999480    0.00  -0.000015351   0.000006700  -0.000001100
 H     -0.619941      0.787951     -1.899148    0.00   0.000012355   0.000002061   0.000002127
 O     -0.802804     -1.732033      1.308913    0.00  -0.000116363   0.000257760  -0.000113796
 C     -1.885671     -1.649041     -1.365755    0.00   0.000202759   0.000148963  -0.000021495
 H     -1.872101     -2.573316     -0.769933    0.00   0.000021269   0.000023825   0.000000385
 H     -2.844317     -1.612345     -1.894531    0.00   0.000023720   0.000007269  -0.000012011
 H     -1.093143     -1.718925     -2.119474    0.00   0.000012416   0.000007985   0.000001640
 H      0.035325     -2.187506      1.596632    0.00   0.000016141   0.000006675   0.000005450
 O      0.818841     -0.727835      0.000076    0.00   0.000019124   0.000284469  -0.000111434
 O      0.923115     -1.611843     -1.103530    0.00  -0.000212530   0.000249211   0.000216496
 C      1.225966     -2.902100     -0.710910    0.00  -0.000113839  -0.000234720   0.000148048
 H      1.417107     -3.454052     -1.638309    0.00  -0.000015825  -0.000020441   0.000033468
 O      1.245957     -3.282636      0.431967    0.00   0.000060109  -0.000659417  -0.000215795
26
 Energy =       -0.20697240252
 C     -0.227829      1.939583      0.616445    0.00  -0.000074377  -0.000070896   0.000012089
 C     -1.422864      2.079942     -0.335690    0.00   0.000043769  -0.000121689   0.000033765
 C     -1.531152      0.867460     -1.268741    0.00   0.000139980  -0.000024844   0.000030375
 C     -1.711500     -0.429476     -0.462097    0.00   0.000106482   0.000061518   0.000007077
 C     -0.531852     -0.587876      0.516589    0.00  -0.000007823   0.000108834  -0.000021389
 C     -0.283487      0.639437      1.423062    0.00  -0.000106123   0.000021309  -0.000007686
 H     -2.379042      0.995321     -1.966367    0.00   0.000018440  -0.000007018   0.000004236
 H     -2.358461      2.197922      0.244102    0.00   0.000003458  -0.000014875   0.000002990
 H     -1.317563      3.005148     -0.933520    0.00   0.000004435  -0.000015252   0.000004271
 H      0.715751      1.966038      0.032849    0.00  -0.000006255  -0.000002311   0.000000708
 H     -0.188310      2.803705      1.306403    0.00  -0.000013221  -0.000010608   0.000001300
 H     -2.629798     -0.339594      0.178586    0.00   0.000007470   0.000001859   0.000000943
 H     -1.097488      0.664402      2.175467    0.00  -0.000009955  -0.000000998  -0.000000694
 H      0.654201      0.503152      1.997818    0.00  -0.000014813   0.000006538  -0.000001816
 H     -0.622329      0.791120     -1.899108    0.00   0.000012615   0.000002258   0.000002224
 O     -0.804164     -1.734729      1.303577    0.00  -0.000108021   0.000244638  -0.000109048
 C     -1.890092     -1.644969     -1.368760    0.00   0.000193947   0.000141802  -0.000026873
 H     -1.879843     -2.570168     -0.774340    0.00   0.000020226   0.000022804  -0.000000519
 H     -2.847624     -1.604877     -1.899245    0.00   0.000022576   0.000006753  -0.000011953
 H     -1.096198     -1.716017     -2.121011    0.00   0.000012193   0.000007550   0.000000913
 H      0.034250     -2.185375      1.597944    0.00   0.000015281   0.000006964   0.000005208
 O      0.816308     -0.728203     -0.005281    0.00   0.000013916   0.000273870  -0.000107938
 O      0.918711     -1.617884     -1.104570    0.00  -0.000211087   0.000234765   0.000210242
 C      1.229052     -2.904383     -0.705404    0.00  -0.000110123  -0.000227786   0.000144902
 H      1.417529     -3.461490     -1.630237    0.00  -0.000015145  -0.000020426   0.000032563
 O      1.256967     -3.277328      0.439815    0.00   0.000062156  -0.000624762  -0.000205890
26
 Energy =      -0.207016004731
 C     -0.225844      1.938139      0.617954    0.00  -0.000069896  -0.000066353   0.000010775
 C     -1.421781      2.081713     -0.332556    0.00   0.000043683  -0.000115851   0.000038121
 C     -1.532860      0.870940     -1.267491    0.00   0.000137343  -0.000022815   0.000032575
 C     -1.713987     -0.427281     -0.463010    0.00   0.000100863   0.000058606   0.000005510
 C     -0.533377     -0.588738      0.514010    0.00  -0.000007674   0.000103710  -0.000022745
 C     -0.282466      0.636672      1.422362    0.00  -0.000102596   0.000019668  -0.000011353
 H     -2.381408      1.001159     -1.963880    0.00   0.000017883  -0.000006781   0.000004692
 H     -2.356538      2.200053      0.248513    0.00   0.000002998  -0.000014407   0.000003510
 H     -1.315875      3.007751     -0.928995    0.00   0.000004657  -0.000014430   0.000004938
 H      0.717114      1.964270      0.033332    0.00  -0.000005613  -0.000001763   0.000000539
 H     -0.184336      2.801027      1.309335    0.00  -0.000012764  -0.000010017   0.000001091
 H     -2.631611     -0.337592      0.178587    0.00   0.000006672   0.000001821   0.000000919
 H     -1.095776      0.661532      2.175508    0.00  -0.000009862  -0.000001326  -0.000000995
 H      0.655605      0.498235      1.995971    0.00  -0.000014241   0.000006375  -0.000002447
 H     -0.624901      0.794466     -1.899097    0.00   0.000012782   0.000002402   0.000002314
 O     -0.805518     -1.737351      1.298269    0.00  -0.000100188   0.000231540  -0.000104399
 C     -1.894385     -1.640845     -1.371877    0.00   0.000184975   0.000134567  -0.000031570
 H     -1.887383     -2.567001     -0.778942    0.00   0.000019177   0.000021751  -0.000001346
 H     -2.850803     -1.597389     -1.904046    0.00   0.000021423   0.000006245  -0.000011819
 H     -1.099142     -1.712939     -2.122680    0.00   0.000011935   0.000007123   0.000000251
 H      0.033069     -2.183312      1.599161    0.00   0.000014476   0.000007195   0.000004964
 O      0.813810     -0.728643     -0.010674    0.00   0.000009150   0.000263086  -0.000104432
 O      0.914374     -1.624047     -1.105547    0.00  -0.000208740   0.000220561   0.000203726
 C      1.232145     -2.906713     -0.699830    0.00  -0.000106058  -0.000220465   0.000141699
 H      1.418040     -3.469006     -1.622017    0.00  -0.000014402  -0.000020342   0.000031664
 O      1.267851     -3.271987      0.447653    0.00   0.000064014  -0.000590100  -0.000196181
26
 Energy =      -0.207057600359
 C     -0.223882      1.936722      0.619424    0.00  -0.000065456  -0.000061922   0.000009622
 C     -1.420837      2.083481     -0.329306    0.00   0.000043297  -0.000109998   0.000041801
 C     -1.534691      0.874474     -1.266185    0.00   0.000134130  -0.000020954   0.000034322
 C     -1.716437     -0.425096     -0.463945    0.00   0.000095227   0.000055656   0.000004035
 C     -0.534855     -0.589588      0.511390    0.00  -0.000007512   0.000098506  -0.000023877
 C     -0.281343      0.633916      1.421594    0.00  -0.000098881   0.000018101  -0.000014543
 H     -2.383963      1.007030     -1.961251    0.00   0.000017263  -0.000006552   0.000005067
 H     -2.354696      2.202054      0.253153    0.00   0.000002548  -0.000013900   0.000003933
 H     -1.314472      3.010399     -0.924301    0.00   0.000004810  -0.000013626   0.000005519
 H      0.718380      1.962584      0.033670    0.00  -0.000004988  -0.000001270   0.000000407
 H     -0.180338      2.798352      1.312244    0.00  -0.000012289  -0.000009415   0.000000908
 H     -2.633384     -0.335735      0.178592    0.00   0.000005913   0.000001779   0.000000876
 H     -1.093879      0.658630      2.175571    0.00  -0.000009739  -0.000001607  -0.000001270
 H      0.657178      0.493347      1.993942    0.00  -0.000013638   0.000006213  -0.000002997
 H     -0.627646      0.797985     -1.899113    0.00   0.000012863   0.000002500   0.000002397
 O     -0.806864     -1.739902      1.292990    0.00  -0.000092811   0.000218475  -0.000099805
 C     -1.898551     -1.636670     -1.375101    0.00   0.000175863   0.000127278  -0.000035600
 H     -1.894713     -2.563820     -0.783731    0.00   0.000018128   0.000020673  -0.000002094
 H     -2.853854     -1.589891     -1.908928    0.00   0.000020267   0.000005744  -0.000011617
 H     -1.101973     -1.709692     -2.124481    0.00   0.000011642   0.000006702  -0.000000346
 H      0.031790     -2.181310      1.600288    0.00   0.000013717   0.000007374   0.000004715
 O      0.811348     -0.729152     -0.016101    0.00   0.000004811   0.000252114  -0.000100879
 O      0.910099     -1.630327     -1.106464    0.00  -0.000205515   0.000206568   0.000196942
 C      1.235236     -2.909086     -0.694190    0.00  -0.000101677  -0.000212800   0.000138393
 H      1.418625     -3.476599     -1.613651    0.00  -0.000013598  -0.000020198   0.000030763
 O      1.278602     -3.266610      0.455478    0.00   0.000065628  -0.000555443  -0.000186670
26
 Energy =      -0.207097175382
 C     -0.221948      1.935331      0.620856    0.00  -0.000061071  -0.000057599   0.000008598
 C     -1.420026      2.085243     -0.325943    0.00   0.000042627  -0.000104131   0.000044820
 C     -1.536637      0.878059     -1.264822    0.00   0.000130374  -0.000019242   0.000035647
 C     -1.718850     -0.422922     -0.464902    0.00   0.000089589   0.000052690   0.000002659
 C     -0.536286     -0.590424      0.508729    0.00  -0.000007333   0.000093228  -0.000024778
 C     -0.280121      0.631169      1.420757    0.00  -0.000094979   0.000016609  -0.000017275
 H     -2.386696      1.012927     -1.958483    0.00   0.000016584  -0.000006332   0.000005367
 H     -2.352935      2.203922      0.258012    0.00   0.000002109  -0.000013360   0.000004261
 H     -1.313345      3.013088     -0.919442    0.00   0.000004894  -0.000012836   0.000006016
 H      0.719552      1.960982      0.033866    0.00  -0.000004384  -0.000000829   0.000000309
 H     -0.176321      2.795679      1.315129    0.00  -0.000011799  -0.000008803   0.000000746
 H     -2.635116     -0.334022      0.178598    0.00   0.000005190   0.000001734   0.000000813
 H     -1.091797      0.655693      2.175657    0.00  -0.000009583  -0.000001843  -0.000001522
 H      0.658915      0.488490      1.991737    0.00  -0.000013005   0.000006051  -0.000003469
 H     -0.630556      0.801670     -1.899153    0.00   0.000012860   0.000002559   0.000002476
 O     -0.808196     -1.742384      1.287738    0.00  -0.000085844   0.000205453  -0.000095235
 C     -1.902584     -1.632450     -1.378430    0.00   0.000166632   0.000119943  -0.000038977
 H     -1.901828     -2.560628     -0.788703    0.00   0.000017084   0.000019574  -0.000002764
 H     -2.856780     -1.582386     -1.913881    0.00   0.000019104   0.000005251  -0.000011355
 H     -1.104694     -1.706281     -2.126411    0.00   0.000011312   0.000006286  -0.000000874
 H      0.030426     -2.179367      1.601335    0.00   0.000013000   0.000007505   0.000004464
 O      0.808923     -0.729724     -0.021566    0.00   0.000000881   0.000240949  -0.000097242
 O      0.905886     -1.636719     -1.107320    0.00  -0.000201445   0.000192759   0.000189884
 C      1.238319     -2.911498     -0.688485    0.00  -0.000097010  -0.000204820   0.000134950
 H      1.419270     -3.484266     -1.605143    0.00  -0.000012741  -0.000019997   0.000029851
 O      1.289220     -3.261196      0.463290    0.00   0.000066953  -0.000520799  -0.000177370
26
 Energy =      -0.207134714243
 C     -0.220041      1.933966      0.622254    0.00  -0.000056749  -0.000053377   0.000007681
 C     -1.419348      2.086998     -0.322470    0.00   0.000041688  -0.000098254   0.000047195
 C     -1.538695      0.881693     -1.263404    0.00   0.000126110  -0.000017656   0.000036572
 C     -1.721223     -0.420762     -0.465877    0.00   0.000083957   0.000049698   0.000001389
 C     -0.537668     -0.591247      0.506029    0.00  -0.000007126   0.000087893  -0.000025443
 C     -0.278801      0.628433      1.419852    0.00  -0.000090893   0.000015187  -0.000019564
 H     -2.389600      1.018848     -1.955583    0.00   0.000015850  -0.000006117   0.000005594
 H     -2.351254      2.205657      0.263083    0.00   0.000001684  -0.000012788   0.000004497
 H     -1.312491      3.015814     -0.914421    0.00   0.000004913  -0.000012064   0.000006432
 H      0.720629      1.959465      0.033929    0.00  -0.000003802  -0.000000434   0.000000244
 H     -0.172290      2.793013      1.317994    0.00  -0.000011297  -0.000008183   0.000000600
 H     -2.636805     -0.332454      0.178606    0.00   0.000004505   0.000001687   0.000000732
 H     -1.089538      0.652722      2.175764    0.00  -0.000009393  -0.000002035  -0.000001753
 H      0.660813      0.483664      1.989359    0.00  -0.000012343   0.000005889  -0.000003863
 H     -0.633623      0.805519     -1.899211    0.00   0.000012777   0.000002580   0.000002550
 O     -0.809513     -1.744801      1.282512    0.00  -0.000079247   0.000192480  -0.000090666
 C     -1.906487     -1.628185     -1.381858    0.00   0.000157295   0.000112583  -0.000041716
 H     -1.908722     -2.557425     -0.793852    0.00   0.000016049   0.000018457  -0.000003355
 H     -2.859583     -1.574880     -1.918899    0.00   0.000017940   0.000004764  -0.000011035
 H     -1.107304     -1.702709     -2.128471    0.00   0.000010949   0.000005872  -0.000001334
 H      0.028983     -2.177473      1.602304    0.00   0.000012319   0.000007596   0.000004213
 O      0.806534     -0.730361     -0.027067    0.00  -0.000002657   0.000229585  -0.000093496
 O      0.901733     -1.643220     -1.108118    0.00  -0.000196559   0.000179116   0.000182548
 C      1.241386     -2.913949     -0.682719    0.00  -0.000092088  -0.000196557   0.000131339
 H      1.419965     -3.492003     -1.596496    0.00  -0.000011832  -0.000019744   0.000028922
 O      1.299699     -3.255745      0.471089    0.00   0.000067950  -0.000486179  -0.000168282
26
 Energy =      -0.207170200081
 C     -0.218164      1.932628      0.623617    0.00  -0.000052494  -0.000049254   0.000006856
 C     -1.418799      2.088745     -0.318889    0.00   0.000040488  -0.000092369   0.000048937
 C     -1.540859      0.885370     -1.261933    0.00   0.000121364  -0.000016181   0.000037118
 C     -1.723554     -0.418616     -0.466873    0.00   0.000078343   0.000046697   0.000000226
 C     -0.539000     -0.592056      0.503291    0.00  -0.000006895   0.000082503  -0.000025878
 C     -0.277387      0.625708      1.418883    0.00  -0.000086623   0.000013836  -0.000021426
 H     -2.392669      1.024788     -1.952551    0.00   0.000015066  -0.000005908   0.000005756
 H     -2.349653      2.207260      0.268360    0.00   0.000001273  -0.000012187   0.000004643
 H     -1.311904      3.018576     -0.909241    0.00   0.000004869  -0.000011304   0.000006768
 H      0.721613      1.958037      0.033862    0.00  -0.000003245  -0.000000085   0.000000206
 H     -0.168252      2.790350      1.320836    0.00  -0.000010782  -0.000007557   0.000000467
 H     -2.638454     -0.331027      0.178614    0.00   0.000003856   0.000001636   0.000000637
 H     -1.087103      0.649716      2.175892    0.00  -0.000009170  -0.000002184  -0.000001962
 H      0.662867      0.478871      1.986812    0.00  -0.000011653   0.000005727  -0.000004182
 H     -0.636843      0.809527     -1.899285    0.00   0.000012618   0.000002570   0.000002619
 O     -0.810811     -1.747152      1.277314    0.00  -0.000072980   0.000179563  -0.000086070
 C     -1.910256     -1.623881     -1.385385    0.00   0.000147871   0.000105206  -0.000043827
 H     -1.915391     -2.554215     -0.799174    0.00   0.000015023   0.000017329  -0.000003870
 H     -2.862262     -1.567381     -1.923977    0.00   0.000016773   0.000004285  -0.000010666
 H     -1.109803     -1.698976     -2.130658    0.00   0.000010551   0.000005458  -0.000001727
 H      0.027473     -2.175627      1.603202    0.00   0.000011670   0.000007649   0.000003961
 O      0.804184     -0.731059     -0.032607    0.00  -0.000005813   0.000218015  -0.000089615
 O      0.897637     -1.649823     -1.108857    0.00  -0.000190885   0.000165634   0.000174935
 C      1.244433     -2.916437     -0.676892    0.00  -0.000086934  -0.000188040   0.000127535
 H      1.420697     -3.499808     -1.587711    0.00  -0.000010874  -0.000019442   0.000027972
 O      1.310035     -3.250256      0.478872    0.00   0.000068581  -0.000451594  -0.000159414
26
 Energy =      -0.207203614933
 C     -0.216317      1.931317      0.624947    0.00  -0.000048315  -0.000045225   0.000006106
 C     -1.418377      2.090480     -0.315204    0.00   0.000039049  -0.000086475   0.000050064
 C     -1.543127      0.889090     -1.260406    0.00   0.000116163  -0.000014804   0.000037302
 C     -1.725844     -0.416486     -0.467888    0.00   0.000072754   0.000043691  -0.000000827
 C     -0.540282     -0.592853      0.500517    0.00  -0.000006632   0.000077068  -0.000026077
 C     -0.275878      0.622993      1.417848    0.00  -0.000082169   0.000012551  -0.000022873
 H     -2.395895      1.030743     -1.949391    0.00   0.000014232  -0.000005705   0.000005852
 H     -2.348130      2.208727      0.273836    0.00   0.000000877  -0.000011559   0.000004701
 H     -1.311579      3.021372     -0.903905    0.00   0.000004763  -0.000010559   0.000007024
 H      0.722505      1.956697      0.033671    0.00  -0.000002714   0.000000223   0.000000198
 H     -0.164208      2.787692      1.323659    0.00  -0.000010256  -0.000006924   0.000000344
 H     -2.640060     -0.329744      0.178619    0.00   0.000003245   0.000001582   0.000000525
 H     -1.084496      0.646673      2.176039    0.00  -0.000008912  -0.000002294  -0.000002151
 H      0.665076      0.474114      1.984097    0.00  -0.000010936   0.000005565  -0.000004428
 H     -0.640207      0.813690     -1.899373    0.00   0.000012386   0.000002531   0.000002686
 O     -0.812088     -1.749441      1.272140    0.00  -0.000067014   0.000166705  -0.000081429
 C     -1.913891     -1.619538     -1.389006    0.00   0.000138373   0.000097821  -0.000045327
 H     -1.921829     -2.551000     -0.804664    0.00   0.000014014   0.000016190  -0.000004306
 H     -2.864818     -1.559890     -1.929111    0.00   0.000015607   0.000003812  -0.000010249
 H     -1.112190     -1.695086     -2.132971    0.00   0.000010118   0.000005046  -0.000002049
 H      0.025901     -2.173822      1.604034    0.00   0.000011050   0.000007667   0.000003710
 O      0.801873     -0.731814     -0.038186    0.00  -0.000008602   0.000206241  -0.000085583
 O      0.893596     -1.656525     -1.109540    0.00  -0.000184451   0.000152288   0.000167042
 C      1.247453     -2.918956     -0.671007    0.00  -0.000081575  -0.000179280   0.000123518
 H      1.421458     -3.507676     -1.578791    0.00  -0.000009874  -0.000019096   0.000026994
 O      1.320224     -3.244730      0.486637    0.00   0.000068818  -0.000417064  -0.000150767
26
 Energy =      -0.207234939748
 C     -0.214500      1.930033      0.626247    0.00  -0.000044209  -0.000041287   0.000005422
 C     -1.418080      2.092204     -0.311415    0.00   0.000037380  -0.000080574   0.000050587
 C     -1.545493      0.892848     -1.258827    0.00   0.000110528  -0.000013511   0.000037136
 C     -1.728089     -0.414373     -0.468921    0.00   0.000067201   0.000040680  -0.000001768
 C     -0.541512     -0.593636      0.497707    0.00  -0.000006334   0.000071595  -0.000026045
 C     -0.274278      0.620289      1.416751    0.00  -0.000077536   0.000011330  -0.000023918
 H     -2.399274      1.036710     -1.946105    0.00   0.000013354  -0.000005504   0.000005888
 H     -2.346686      2.210058      0.279507    0.00   0.000000496  -0.000010906   0.000004675
 H     -1.311513      3.024198     -0.898413    0.00   0.000004598  -0.000009826   0.000007204
 H      0.723302      1.955449      0.033360    0.00  -0.000002209   0.000000491   0.000000216
 H     -0.160164      2.785040      1.326461    0.00  -0.000009721  -0.000006286   0.000000229
 H     -2.641623     -0.328602      0.178622    0.00   0.000002670   0.000001524   0.000000400
 H     -1.081718      0.643594      2.176206    0.00  -0.000008620  -0.000002363  -0.000002321
 H      0.667437      0.469393      1.981216    0.00  -0.000010193   0.000005403  -0.000004600
 H     -0.643712      0.818004     -1.899472    0.00   0.000012084   0.000002465   0.000002748
 O     -0.813341     -1.751669      1.266994    0.00  -0.000061321   0.000153914  -0.000076727
 C     -1.917391     -1.615162     -1.392720    0.00   0.000128814   0.000090445  -0.000046221
 H     -1.928036     -2.547782     -0.810319    0.00   0.000013021   0.000015044  -0.000004668
 H     -2.867252     -1.552413     -1.934297    0.00   0.000014443   0.000003347  -0.000009790
 H     -1.114464     -1.691040     -2.135408    0.00   0.000009654   0.000004634  -0.000002304
 H      0.024275     -2.172053      1.604804    0.00   0.000010454   0.000007656   0.000003459
 O      0.799601     -0.732627     -0.043803    0.00  -0.000011036   0.000194258  -0.000081380
 O      0.889610     -1.663323     -1.110165    0.00  -0.000177281   0.000139085   0.000158868
 C      1.250441     -2.921508     -0.665062    0.00  -0.000076034  -0.000170306   0.000119268
 H      1.422237     -3.515604     -1.569736    0.00  -0.000008832  -0.000018706   0.000025986
 O      1.330265     -3.239167      0.494386    0.00   0.000068631  -0.000382601  -0.000142343
26
 Energy =      -0.207264155161
 C     -0.212714      1.928777      0.627515    0.00  -0.000040183  -0.000037437   0.000004795
 C     -1.417907      2.093915     -0.307524    0.00   0.000035492  -0.000074667   0.000050516
 C     -1.547956      0.896644     -1.257194    0.00   0.000104483  -0.000012295   0.000036632
 C     -1.730290     -0.412277     -0.469974    0.00   0.000061691   0.000037671  -0.000002597
 C     -0.542690     -0.594405      0.494862    0.00  -0.000005999   0.000066089  -0.000025777
 C     -0.272586      0.617597      1.415592    0.00  -0.000072725   0.000010173  -0.000024569
 H     -2.402803      1.042685     -1.942695    0.00   0.000012432  -0.000005308   0.000005864
 H     -2.345318      2.211253      0.285369    0.00   0.000000132  -0.000010229   0.000004566
 H     -1.311701      3.027053     -0.892770    0.00   0.000004377  -0.000009106   0.000007309
 H      0.724007      1.954293      0.032931    0.00  -0.000001731   0.000000721   0.000000259
 H     -0.156121      2.782394      1.329245    0.00  -0.000009177  -0.000005644   0.000000122
 H     -2.643141     -0.327603      0.178618    0.00   0.000002132   0.000001465   0.000000260
 H     -1.078774      0.640479      2.176389    0.00  -0.000008293  -0.000002396  -0.000002473
 H      0.669947      0.464711      1.978174    0.00  -0.000009424   0.000005242  -0.000004705
 H     -0.647355      0.822468     -1.899580    0.00   0.000011712   0.000002376   0.000002808
 O     -0.814568     -1.753836      1.261872    0.00  -0.000055877   0.000141197  -0.000071952
 C     -1.920753     -1.610752     -1.396524    0.00   0.000119207   0.000083082  -0.000046522
 H     -1.934005     -2.544563     -0.816135    0.00   0.000012047   0.000013893  -0.000004955
 H     -2.869563     -1.544954     -1.939531    0.00   0.000013279   0.000002888  -0.000009289
 H     -1.116623     -1.686839     -2.137967    0.00   0.000009156   0.000004224  -0.000002490
 H      0.022600     -2.170319      1.605516    0.00   0.000009881   0.000007616   0.000003211
 O      0.797369     -0.733494     -0.049460    0.00  -0.000013124   0.000182066  -0.000076995
 O      0.885678     -1.670212     -1.110733    0.00  -0.000169402   0.000126009   0.000150411
 C      1.253392     -2.924089     -0.659063    0.00  -0.000070335  -0.000161129   0.000114775
 H      1.423027     -3.523590     -1.560552    0.00  -0.000007752  -0.000018276   0.000024944
 O      1.340151     -3.233567      0.502116    0.00   0.000068000  -0.000348226  -0.000134148
26
 Energy =      -0.207291241071
 C     -0.210960      1.927550      0.628753    0.00  -0.000036236  -0.000033674   0.000004217
 C     -1.417856      2.095611     -0.303533    0.00   0.000033401  -0.000068753   0.000049869
 C     -1.550512      0.900474     -1.255508    0.00   0.000098044  -0.000011148   0.000035797
 C     -1.732446     -0.410200     -0.471044    0.00   0.000056230   0.000034668  -0.000003312
 C     -0.543815     -0.595160      0.491985    0.00  -0.000005622   0.000060560  -0.000025280
 C     -0.270804      0.614917      1.414370    0.00  -0.000067738   0.000009079  -0.000024838
 H     -2.406477      1.048665     -1.939161    0.00   0.000011470  -0.000005114   0.000005781
 H     -2.344028      2.212310      0.291415    0.00  -0.000000216  -0.000009529   0.000004374
 H     -1.312142      3.029934     -0.886975    0.00   0.000004100  -0.000008397   0.000007338
 H      0.724620      1.953232      0.032387    0.00  -0.000001281   0.000000915   0.000000328
 H     -0.152082      2.779756      1.332007    0.00  -0.000008624  -0.000004999   0.000000021
 H     -2.644617     -0.326747      0.178610    0.00   0.000001631   0.000001400   0.000000107
 H     -1.075663      0.637329      2.176592    0.00  -0.000007932  -0.000002391  -0.000002607
 H      0.672605      0.460069      1.974969    0.00  -0.000008632   0.000005081  -0.000004739
 H     -0.651131      0.827077     -1.899695    0.00   0.000011275   0.000002264   0.000002865
 O     -0.815766     -1.755946      1.256777    0.00  -0.000050662   0.000128555  -0.000067091
 C     -1.923975     -1.606310     -1.400417    0.00   0.000109568   0.000075747  -0.000046236
 H     -1.939732     -2.541343     -0.822109    0.00   0.000011094   0.000012741  -0.000005166
 H     -2.871749     -1.537516     -1.944812    0.00   0.000012121   0.000002436  -0.000008750
 H     -1.118663     -1.682486     -2.140647    0.00   0.000008626   0.000003815  -0.000002607
 H      0.020884     -2.168613      1.606176    0.00   0.000009328   0.000007551   0.000002970
 O      0.795178     -0.734416     -0.055156    0.00  -0.000014874   0.000169661  -0.000072417
 O      0.881796     -1.677187     -1.111246    0.00  -0.000160840   0.000113067   0.000141669
 C      1.256303     -2.926699     -0.653008    0.00  -0.000064498  -0.000151769   0.000110019
 H      1.423820     -3.531632     -1.551237    0.00  -0.000006636  -0.000017808   0.000023866
 O      1.349882     -3.227933      0.509826    0.00   0.000066905  -0.000313957  -0.000126181
26
 Energy =      -0.207316177032
 C     -0.209241      1.926351      0.629961    0.00  -0.000032368  -0.000029996   0.000003687
 C     -1.417926      2.097290     -0.299442    0.00   0.000031116  -0.000062832   0.000048648
 C     -1.553162      0.904337     -1.253769    0.00   0.000091229  -0.000010060   0.000034638
 C     -1.734555     -0.408144     -0.472134    0.00   0.000050828   0.000031675  -0.000003914
 C     -0.544885     -0.595900      0.489074    0.00  -0.000005208   0.000055011  -0.000024551
 C     -0.268934      0.612250      1.413087    0.00  -0.000062579   0.000008042  -0.000024729
 H     -2.410295      1.054647     -1.935505    0.00   0.000010468  -0.000004922   0.000005643
 H     -2.342814      2.213226      0.297647    0.00  -0.000000546  -0.000008809   0.000004101
 H     -1.312834      3.032840     -0.881029    0.00   0.000003768  -0.000007701   0.000007295
 H      0.725139      1.952267      0.031730    0.00  -0.000000858   0.000001074   0.000000420
 H     -0.148051      2.777126      1.334749    0.00  -0.000008064  -0.000004350  -0.000000075
 H     -2.646047     -0.326036      0.178594    0.00   0.000001167   0.000001332  -0.000000058
 H     -1.072384      0.634142      2.176810    0.00  -0.000007537  -0.000002350  -0.000002724
 H      0.675410      0.455471      1.971604    0.00  -0.000007815   0.000004920  -0.000004705
 H     -0.655039      0.831831     -1.899814    0.00   0.000010775   0.000002130   0.000002919
 O     -0.816934     -1.757995      1.251708    0.00  -0.000045657   0.000116005  -0.000062134
 C     -1.927054     -1.601840     -1.404396    0.00   0.000099908   0.000068447  -0.000045368
 H     -1.945213     -2.538126     -0.828240    0.00   0.000010164   0.000011587  -0.000005304
 H     -2.873809     -1.530102     -1.950136    0.00   0.000010967   0.000001991  -0.000008173
 H     -1.120583     -1.677981     -2.143446    0.00   0.000008066   0.000003408  -0.000002654
 H      0.019131     -2.166932      1.606787    0.00   0.000008794   0.000007463   0.000002725
 O      0.793027     -0.735390     -0.060892    0.00  -0.000016297   0.000157046  -0.000067632
 O      0.877966     -1.684248     -1.111702    0.00  -0.000151620   0.000100253   0.000132644
 C      1.259168     -2.929335     -0.646898    0.00  -0.000058540  -0.000142238   0.000104990
 H      1.424605     -3.539726     -1.541793    0.00  -0.000005489  -0.000017303   0.000022749
 O      1.359453     -3.222265      0.517514    0.00   0.000065328  -0.000279824  -0.000118441
