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 Energy =      -0.189556709739 Reaction Coordinate =             -5.97480
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 Energy =      -0.187218082516 Reaction Coordinate =             -4.28360
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 Energy =      -0.177945030064 Reaction Coordinate =             -1.91594
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 Energy =      -0.177182523936 Reaction Coordinate =             -1.80320
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 Energy =      -0.176380615639 Reaction Coordinate =             -1.69046
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 Energy =      -0.175537283027 Reaction Coordinate =             -1.57772
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26
 Energy =      -0.174650197747 Reaction Coordinate =             -1.46499
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26
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 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 Reaction Coordinate =             10.82051
 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 Reaction Coordinate =             10.93327
 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 Reaction Coordinate =             11.04602
 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  -0.00011844126
 Energy =      -0.207417694376
 C     -0.202003      1.924632      0.623505    0.00   0.000042529   0.000004456   0.000036070
 C     -1.419532      2.096741     -0.293245    0.00  -0.000043930  -0.000026676  -0.000084593
 C     -1.555973      0.904634     -1.247798    0.00  -0.000086987  -0.000040563  -0.000096847
 C     -1.736191     -0.411943     -0.472389    0.00   0.000033116   0.000006117  -0.000024102
 C     -0.570226     -0.599125      0.517768    0.00   0.000015082   0.000001915   0.000034448
 C     -0.272428      0.619958      1.420062    0.00   0.000029557   0.000022711   0.000057659
 H     -2.415027      1.055674     -1.927544    0.00  -0.000042951  -0.000048542  -0.000007924
 H     -2.339523      2.208036      0.312297    0.00  -0.000017336  -0.000004175  -0.000045082
 H     -1.322944      3.033858     -0.873686    0.00  -0.000018902  -0.000007517   0.000001110
 H      0.726297      1.933602      0.015475    0.00   0.000019674   0.000005768   0.000048599
 H     -0.123119      2.781922      1.318721    0.00  -0.000012978   0.000037805  -0.000005330
 H     -2.664276     -0.343229      0.156168    0.00   0.000001101  -0.000006151  -0.000023959
 H     -1.070137      0.662960      2.189194    0.00   0.000001348   0.000005911  -0.000001176
 H      0.674898      0.458909      1.973389    0.00   0.000004499   0.000004730   0.000010237
 H     -0.659723      0.835149     -1.896793    0.00   0.000008025   0.000000055   0.000049854
 O     -0.891003     -1.736212      1.298053    0.00  -0.000002058   0.000007110   0.000024052
 C     -1.889715     -1.601072     -1.418065    0.00   0.000013419   0.000016301   0.000076418
 H     -1.948263     -2.538976     -0.848132    0.00   0.000007091  -0.000002162   0.000003262
 H     -2.802536     -1.517927     -2.017013    0.00  -0.000002867  -0.000009442   0.000010026
 H     -1.041699     -1.684150     -2.109316    0.00   0.000002772   0.000008160   0.000017832
 H     -0.089642     -2.098549      1.765825    0.00  -0.000001544  -0.000000151   0.000000936
 O      0.773664     -0.788469     -0.005867    0.00   0.000010936   0.000017148   0.000029514
 O      0.868456     -1.853083     -0.938266    0.00   0.000031042   0.000049469   0.000082215
 C      1.257790     -3.029766     -0.325308    0.00  -0.000011331  -0.000057769   0.000092502
 H      1.432500     -3.742540     -1.138967    0.00   0.000021156  -0.000021260   0.000034195
 O      1.355256     -3.179309      0.866757    0.00  -0.000000465   0.000036752  -0.000319916
26
 Energy =      -0.207386706195
 C     -0.197024      1.922352      0.616506    0.00   0.000116023  -0.000013742   0.000137674
 C     -1.424215      2.097038     -0.286600    0.00  -0.000043950   0.000006590  -0.000110491
 C     -1.569946      0.907574     -1.243052    0.00  -0.000149157  -0.000105841  -0.000194124
 C     -1.737654     -0.413118     -0.471969    0.00   0.000013098  -0.000021685  -0.000053429
 C     -0.569169     -0.599858      0.515326    0.00   0.000018954  -0.000030419   0.000031697
 C     -0.266222      0.619560      1.416001    0.00   0.000059706   0.000020830   0.000097933
 H     -2.438042      1.059151     -1.911249    0.00  -0.000049796  -0.000052267  -0.000028712
 H     -2.337708      2.206186      0.329062    0.00  -0.000014256   0.000008763  -0.000045474
 H     -1.334243      3.035797     -0.865402    0.00  -0.000014342  -0.000005038  -0.000006746
 H      0.724560      1.925331     -0.001744    0.00   0.000031889  -0.000007060   0.000060677
 H     -0.106275      2.780755      1.308817    0.00  -0.000007537   0.000048213   0.000012145
 H     -2.664547     -0.353080      0.159438    0.00   0.000006954  -0.000005995  -0.000021104
 H     -1.060870      0.664576      2.188059    0.00   0.000000385   0.000008676   0.000003658
 H      0.683018      0.457726      1.965889    0.00   0.000007725   0.000001820   0.000013804
 H     -0.682006      0.843070     -1.903808    0.00  -0.000003917  -0.000017059   0.000042270
 O     -0.891227     -1.735663      1.296387    0.00  -0.000017764  -0.000049205   0.000011649
 C     -1.885914     -1.598991     -1.422656    0.00  -0.000024738   0.000005775   0.000069302
 H     -1.947639     -2.538885     -0.856359    0.00   0.000006716  -0.000010736  -0.000007576
 H     -2.795249     -1.513841     -2.026626    0.00  -0.000015783  -0.000018501   0.000019359
 H     -1.033764     -1.679575     -2.109154    0.00   0.000008124   0.000015191   0.000018803
 H     -0.090469     -2.099352      1.764678    0.00  -0.000000510  -0.000005200  -0.000000185
 O      0.775445     -0.788320     -0.006543    0.00  -0.000000481   0.000038582   0.000004299
 O      0.879129     -1.852636     -0.937999    0.00   0.000076780   0.000195554   0.000182089
 C      1.262090     -3.029553     -0.321679    0.00  -0.000010393   0.000019648   0.000184855
 H      1.449804     -3.740991     -1.133657    0.00   0.000043084  -0.000018134   0.000069168
 O      1.342244     -3.181295      0.871557    0.00  -0.000036813  -0.000008759  -0.000491542
26
 Energy =      -0.207330187746
 C     -0.190513      1.918686      0.608827    0.00   0.000197739  -0.000031998   0.000252409
 C     -1.426288      2.097440     -0.281532    0.00  -0.000039146   0.000040844  -0.000131455
 C     -1.583236      0.910052     -1.238787    0.00  -0.000226224  -0.000170048  -0.000292580
 C     -1.740643     -0.413792     -0.471047    0.00  -0.000020498  -0.000053729  -0.000092563
 C     -0.569679     -0.601308      0.513166    0.00   0.000025204  -0.000076388   0.000029428
 C     -0.261071      0.618482      1.412206    0.00   0.000099555   0.000020506   0.000154953
 H     -2.459968      1.063019     -1.895427    0.00  -0.000055678  -0.000049133  -0.000050823
 H     -2.333345      2.206846      0.343511    0.00  -0.000010443   0.000022400  -0.000045792
 H     -1.340671      3.037117     -0.859478    0.00  -0.000013113  -0.000002594  -0.000011368
 H      0.724620      1.913656     -0.018942    0.00   0.000041333  -0.000022946   0.000066930
 H     -0.086965      2.778478      1.297488    0.00   0.000005899   0.000050158   0.000033731
 H     -2.665973     -0.360072      0.163473    0.00   0.000009283  -0.000005421  -0.000022962
 H     -1.053449      0.666861      2.186217    0.00   0.000000795   0.000012818   0.000008940
 H      0.689236      0.454968      1.959835    0.00   0.000013559   0.000000004   0.000019726
 H     -0.703871      0.848537     -1.911106    0.00  -0.000018968  -0.000035466   0.000030086
 O     -0.893566     -1.735829      1.294604    0.00  -0.000048176  -0.000131463  -0.000009324
 C     -1.886319     -1.597096     -1.425360    0.00  -0.000085547  -0.000036059   0.000030741
 H     -1.955713     -2.537961     -0.861542    0.00  -0.000000247  -0.000024680  -0.000020760
 H     -2.790659     -1.507407     -2.036119    0.00  -0.000027976  -0.000021472   0.000027843
 H     -1.029057     -1.679386     -2.105285    0.00   0.000014658   0.000018411   0.000012903
 H     -0.093228     -2.102372      1.761987    0.00   0.000002103  -0.000013315  -0.000000882
 O      0.776120     -0.788097     -0.005803    0.00  -0.000006058   0.000055259  -0.000033143
 O      0.891697     -1.850635     -0.937513    0.00   0.000141731   0.000392921   0.000306834
 C      1.270296     -3.027615     -0.318772    0.00   0.000018655   0.000159094   0.000276762
 H      1.475252     -3.735932     -1.129305    0.00   0.000062154   0.000004236   0.000099025
 O      1.330282     -3.183204      0.875294    0.00  -0.000080592  -0.000101938  -0.000638661
26
 Energy =      -0.207243115835
 C     -0.183885      1.914724      0.601278    0.00   0.000277046  -0.000051006   0.000363664
 C     -1.427311      2.097858     -0.277321    0.00  -0.000033297   0.000071173  -0.000153513
 C     -1.595418      0.912302     -1.234960    0.00  -0.000303402  -0.000226841  -0.000383777
 C     -1.744260     -0.414064     -0.469973    0.00  -0.000060016  -0.000086747  -0.000134770
 C     -0.570869     -0.603059      0.511053    0.00   0.000033264  -0.000129173   0.000029692
 C     -0.256240      0.617083      1.408460    0.00   0.000147744   0.000023037   0.000224451
 H     -2.479893      1.066970     -1.880849    0.00  -0.000062072  -0.000045425  -0.000070624
 H     -2.328291      2.208231      0.356274    0.00  -0.000006401   0.000034942  -0.000047268
 H     -1.345059      3.038209     -0.854637    0.00  -0.000013282  -0.000000719  -0.000015536
 H      0.725167      1.901782     -0.035181    0.00   0.000049102  -0.000038197   0.000072791
 H     -0.068136      2.775747      1.286331    0.00   0.000020026   0.000050604   0.000054009
 H     -2.667811     -0.365010      0.167795    0.00   0.000009352  -0.000004213  -0.000026878
 H     -1.046319      0.668963      2.184406    0.00   0.000003211   0.000018519   0.000014700
 H      0.695072      0.451607      1.953865    0.00   0.000020627  -0.000001558   0.000028364
 H     -0.724155      0.852778     -1.917841    0.00  -0.000032974  -0.000051894   0.000018734
 O     -0.896967     -1.736200      1.292777    0.00  -0.000089548  -0.000224940  -0.000036152
 C     -1.889225     -1.595281     -1.426962    0.00  -0.000158809  -0.000098366  -0.000028474
 H     -1.967983     -2.536498     -0.864924    0.00  -0.000012507  -0.000039409  -0.000032320
 H     -2.788240     -1.500022     -2.044664    0.00  -0.000038382  -0.000021161   0.000033033
 H     -1.026933     -1.681393     -2.100015    0.00   0.000018968   0.000017033   0.000001595
 H     -0.096982     -2.106464      1.758444    0.00   0.000005081  -0.000023414  -0.000001302
 O      0.776287     -0.788024     -0.004490    0.00  -0.000004576   0.000066513  -0.000075692
 O      0.905017     -1.848131     -0.936893    0.00   0.000218366   0.000613501   0.000443673
 C      1.280431     -3.024993     -0.316133    0.00   0.000061002   0.000328157   0.000370466
 H      1.504522     -3.729346     -1.125027    0.00   0.000079641   0.000036542   0.000126041
 O      1.319138     -3.185150      0.878346    0.00  -0.000128163  -0.000216961  -0.000774908
26
 Energy =      -0.207123173188
 C     -0.177454      1.910751      0.593980    0.00   0.000352680  -0.000070818   0.000469790
 C     -1.427882      2.098220     -0.273567    0.00  -0.000025411   0.000097746  -0.000179345
 C     -1.606626      0.914409     -1.231455    0.00  -0.000375483  -0.000275954  -0.000466523
 C     -1.748174     -0.414068     -0.468871    0.00  -0.000101999  -0.000120800  -0.000177449
 C     -0.572397     -0.604979      0.508906    0.00   0.000043013  -0.000186749   0.000031885
 C     -0.251408      0.615485      1.404672    0.00   0.000204165   0.000028644   0.000304383
 H     -2.498008      1.070918     -1.867436    0.00  -0.000068495  -0.000041872  -0.000087718
 H     -2.323093      2.209637      0.367965    0.00  -0.000001719   0.000046262  -0.000049946
 H     -1.348594      3.039195     -0.850255    0.00  -0.000014255   0.000000711  -0.000020260
 H      0.725787      1.890461     -0.050546    0.00   0.000055559  -0.000052411   0.000079157
 H     -0.050281      2.772787      1.275622    0.00   0.000033469   0.000050823   0.000072503
 H     -2.669808     -0.368550      0.172228    0.00   0.000008068  -0.000002524  -0.000031515
 H     -1.038916      0.670696      2.182810    0.00   0.000007550   0.000025689   0.000020674
 H      0.701076      0.447945      1.947538    0.00   0.000028811  -0.000002933   0.000039510
 H     -0.742905      0.856343     -1.923899    0.00  -0.000045356  -0.000065953   0.000008544
 O     -0.901001     -1.736599      1.290962    0.00  -0.000140388  -0.000323291  -0.000069664
 C     -1.893741     -1.593512     -1.427909    0.00  -0.000240614  -0.000174910  -0.000101047
 H     -1.982159     -2.534719     -0.867241    0.00  -0.000026907  -0.000053312  -0.000042164
 H     -2.787650     -1.492399     -2.052017    0.00  -0.000047953  -0.000020356   0.000034141
 H     -1.026931     -1.684398     -2.094483    0.00   0.000020309   0.000011605  -0.000011812
 H     -0.101353     -2.111156      1.754397    0.00   0.000008111  -0.000034804  -0.000001703
 O      0.776179     -0.788131     -0.002914    0.00   0.000002505   0.000072641  -0.000121438
 O      0.918752     -1.845426     -0.936185    0.00   0.000302000   0.000847953   0.000587944
 C      1.291659     -3.022018     -0.313546    0.00   0.000109199   0.000515408   0.000463975
 H      1.535943     -3.721946     -1.120386    0.00   0.000096281   0.000074947   0.000150791
 O      1.308466     -3.187092      0.880912    0.00  -0.000183139  -0.000345742  -0.000902711
26
 Energy =      -0.206969002827
 C     -0.171265      1.906840      0.586930    0.00   0.000425500  -0.000091022   0.000571420
 C     -1.428237      2.098473     -0.270062    0.00  -0.000013853   0.000121147  -0.000210217
 C     -1.616987      0.916401     -1.228198    0.00  -0.000440153  -0.000317834  -0.000540933
 C     -1.752248     -0.413902     -0.467792    0.00  -0.000144253  -0.000156508  -0.000219626
 C     -0.574129     -0.607021      0.506707    0.00   0.000054441  -0.000248390   0.000034963
 C     -0.246442      0.613731      1.400802    0.00   0.000268933   0.000037503   0.000393696
 H     -2.514538      1.074825     -1.855059    0.00  -0.000074576  -0.000038470  -0.000102165
 H     -2.317931      2.210751      0.378953    0.00   0.000003952   0.000056450  -0.000053778
 H     -1.351792      3.040112     -0.846024    0.00  -0.000015779   0.000001795  -0.000025953
 H      0.726350      1.879841     -0.065197    0.00   0.000060916  -0.000065695   0.000086065
 H     -0.033401      2.769681      1.265373    0.00   0.000046117   0.000051005   0.000089439
 H     -2.671874     -0.371090      0.176681    0.00   0.000005950  -0.000000605  -0.000036334
 H     -1.031021      0.672027      2.181479    0.00   0.000013716   0.000034291   0.000026796
 H      0.707454      0.444078      1.940712    0.00   0.000038111  -0.000004156   0.000052963
 H     -0.760260      0.859467     -1.929293    0.00  -0.000056041  -0.000077684  -0.000000646
 O     -0.905474     -1.736946      1.289213    0.00  -0.000200194  -0.000422648  -0.000111552
 C     -1.899396     -1.591779     -1.428451    0.00  -0.000328675  -0.000262320  -0.000182023
 H     -1.997112     -2.532762     -0.868894    0.00  -0.000041467  -0.000066056  -0.000050763
 H     -2.788676     -1.484878     -2.058144    0.00  -0.000057491  -0.000020546   0.000031381
 H     -1.028746     -1.687789     -2.089251    0.00   0.000018845   0.000002822  -0.000025161
 H     -0.106175     -2.116226      1.750038    0.00   0.000011051  -0.000047067  -0.000002284
 O      0.775885     -0.788413     -0.001204    0.00   0.000013500   0.000073438  -0.000169791
 O      0.932760     -1.842615     -0.935413    0.00   0.000389289   0.001092270   0.000737570
 C      1.303574     -3.018804     -0.310914    0.00   0.000158893   0.000715345   0.000555266
 H      1.568711     -3.714028     -1.115168    0.00   0.000112235   0.000117628   0.000173186
 O      1.298062     -3.188962      0.883080    0.00  -0.000248967  -0.000484692  -0.001021521
26
 Energy =      -0.206779662879
 C     -0.165309      1.903004      0.580106    0.00   0.000496678  -0.000111103   0.000669347
 C     -1.428486      2.098578     -0.266690    0.00   0.000002888   0.000141966  -0.000246761
 C     -1.626597      0.918277     -1.225139    0.00  -0.000496010  -0.000353017  -0.000607428
 C     -1.756414     -0.413640     -0.466761    0.00  -0.000185153  -0.000194534  -0.000260966
 C     -0.576007     -0.609166      0.504456    0.00   0.000067445  -0.000313877   0.000037851
 C     -0.241274      0.611840      1.396839    0.00   0.000342228   0.000049913   0.000491793
 H     -2.529657      1.078671     -1.843615    0.00  -0.000080113  -0.000035158  -0.000114104
 H     -2.312862      2.211410      0.389462    0.00   0.000010863   0.000065632  -0.000058725
 H     -1.354911      3.040959     -0.841775    0.00  -0.000017681   0.000002604  -0.000032798
 H      0.726818      1.869922     -0.079269    0.00   0.000065324  -0.000078176   0.000093420
 H     -0.017403      2.766471      1.255548    0.00   0.000058100   0.000051162   0.000105094
 H     -2.673976     -0.372894      0.181094    0.00   0.000003330   0.000001287  -0.000041080
 H     -1.022541      0.672961      2.180425    0.00   0.000021653   0.000044346   0.000033058
 H      0.714287      0.440037      1.933340    0.00   0.000048569  -0.000005257   0.000068609
 H     -0.776332      0.862261     -1.934064    0.00  -0.000065027  -0.000087205  -0.000008987
 O     -0.910289     -1.737202      1.287583    0.00  -0.000268860  -0.000520236  -0.000163579
 C     -1.905906     -1.590085     -1.428743    0.00  -0.000420930  -0.000358361  -0.000267635
 H     -2.012266     -2.530727     -0.870124    0.00  -0.000055236  -0.000077823  -0.000058559
 H     -2.791138     -1.477605     -2.063119    0.00  -0.000067431  -0.000022291   0.000025508
 H     -1.032125     -1.691250     -2.084591    0.00   0.000015107  -0.000008583  -0.000037370
 H     -0.111360     -2.121547      1.745492    0.00   0.000013815  -0.000059922  -0.000003204
 O      0.775442     -0.788851      0.000574    0.00   0.000026581   0.000068244  -0.000220387
 O      0.946961     -1.839726     -0.934595    0.00   0.000477569   0.001344044   0.000891264
 C      1.315933     -3.015391     -0.308191    0.00   0.000207031   0.000924419   0.000642848
 H      1.602337     -3.705743     -1.109256    0.00   0.000127471   0.000163445   0.000193030
 O      1.287815     -3.190696      0.884892    0.00  -0.000328209  -0.000631519  -0.001130239
26
 Energy =      -0.206554434395
 C     -0.159551      1.899237      0.573487    0.00   0.000567253  -0.000130511   0.000764272
 C     -1.428678      2.098499     -0.263375    0.00   0.000026121   0.000160735  -0.000289234
 C     -1.635524      0.920028     -1.222248    0.00  -0.000542122  -0.000382024  -0.000666504
 C     -1.760636     -0.413339     -0.465795    0.00  -0.000223510  -0.000235531  -0.000301520
 C     -0.578003     -0.611406      0.502163    0.00   0.000081768  -0.000383146   0.000039404
 C     -0.235861      0.609819      1.392780    0.00   0.000424368   0.000066222   0.000598392
 H     -2.543496      1.082438     -1.833026    0.00  -0.000084993  -0.000031880  -0.000123677
 H     -2.307900      2.211517      0.399642    0.00   0.000019176   0.000073916  -0.000064724
 H     -1.358083      3.041728     -0.837405    0.00  -0.000019816   0.000003190  -0.000040884
 H      0.727188      1.860665     -0.092857    0.00   0.000068907  -0.000089934   0.000101142
 H     -0.002185      2.763176      1.246106    0.00   0.000069550   0.000051280   0.000119664
 H     -2.676107     -0.374147      0.185420    0.00   0.000000438   0.000002900  -0.000045624
 H     -1.013421      0.673511      2.179654    0.00   0.000031357   0.000055937   0.000039473
 H      0.721622      0.435828      1.925404    0.00   0.000060236  -0.000006261   0.000086409
 H     -0.791213      0.864779     -1.938250    0.00  -0.000072299  -0.000094641  -0.000016600
 O     -0.915385     -1.737343      1.286116    0.00  -0.000346333  -0.000614069  -0.000227248
 C     -1.913068     -1.588434     -1.428889    0.00  -0.000515299  -0.000461212  -0.000354839
 H     -2.027339     -2.528678     -0.871093    0.00  -0.000067908  -0.000088997  -0.000065851
 H     -2.794844     -1.470633     -2.067079    0.00  -0.000077900  -0.000025588   0.000017520
 H     -1.036832     -1.694624     -2.080612    0.00   0.000009758  -0.000021899  -0.000048094
 H     -0.116855     -2.127035      1.740848    0.00   0.000016334  -0.000073182  -0.000004577
 O      0.774857     -0.789428      0.002382    0.00   0.000039790   0.000056076  -0.000272950
 O      0.961301     -1.836761     -0.933742    0.00   0.000564587   0.001601541   0.001048063
 C      1.328574     -3.011793     -0.305352    0.00   0.000251225   0.001139981   0.000725626
 H      1.636488     -3.697176     -1.102590    0.00   0.000141893   0.000211559   0.000210153
 O      1.277659     -3.192238      0.886367    0.00  -0.000422580  -0.000784462  -0.001227793
26
 Energy =      -0.206292736074
 C     -0.153958      1.895530      0.567054    0.00   0.000638088  -0.000148703   0.000856751
 C     -1.428836      2.098216     -0.260069    0.00   0.000056925   0.000177901  -0.000337607
 C     -1.643822      0.921643     -1.219499    0.00  -0.000577775  -0.000405309  -0.000718706
 C     -1.764894     -0.413045     -0.464900    0.00  -0.000258525  -0.000280185  -0.000341596
 C     -0.580109     -0.613738      0.499842    0.00   0.000097110  -0.000456264   0.000038462
 C     -0.230178      0.607670      1.388625    0.00   0.000515744   0.000086874   0.000713535
 H     -2.556161      1.086115     -1.823232    0.00  -0.000089133  -0.000028584  -0.000130999
 H     -2.303042      2.211017      0.409598    0.00   0.000028997   0.000081402  -0.000071714
 H     -1.361383      3.042405     -0.832849    0.00  -0.000022046   0.000003599  -0.000050220
 H      0.727470      1.852021     -0.106035    0.00   0.000071740  -0.000101008   0.000109164
 H      0.012346      2.759812      1.237009    0.00   0.000080587   0.000051342   0.000133295
 H     -2.678277     -0.374995      0.189622    0.00  -0.000002576   0.000004001  -0.000049908
 H     -1.003617      0.673692      2.179168    0.00   0.000042858   0.000069188   0.000046061
 H      0.729484      0.431445      1.916894    0.00   0.000073186  -0.000007184   0.000106409
 H     -0.804974      0.867044     -1.941887    0.00  -0.000077837  -0.000100121  -0.000023590
 O     -0.920724     -1.737352      1.284851    0.00  -0.000432436  -0.000702862  -0.000303697
 C     -1.920736     -1.586837     -1.428961    0.00  -0.000609779  -0.000569275  -0.000441104
 H     -2.042206     -2.526662     -0.871911    0.00  -0.000079522  -0.000099997  -0.000072807
 H     -2.799598     -1.463958     -2.070194    0.00  -0.000088825  -0.000030158   0.000008458
 H     -1.042640     -1.697855     -2.077327    0.00   0.000003456  -0.000036452  -0.000057393
 H     -0.122628     -2.132631      1.736175    0.00   0.000018540  -0.000086703  -0.000006520
 O      0.774127     -0.790121      0.004187    0.00   0.000051022   0.000035880  -0.000327236
 O      0.975734     -1.833716     -0.932863    0.00   0.000648370   0.001863414   0.001207026
 C      1.341377     -3.008016     -0.302387    0.00   0.000289535   0.001359961   0.000802796
 H      1.670908     -3.688382     -1.095138    0.00   0.000155361   0.000261317   0.000224427
 O      1.267555     -3.193546      0.887518    0.00  -0.000533063  -0.000942077  -0.001313288
26
 Energy =      -0.205994070877
 C     -0.148499      1.891870      0.560792    0.00   0.000709799  -0.000165196   0.000947291
 C     -1.428969      2.097705     -0.256736    0.00   0.000096192   0.000193856  -0.000391614
 C     -1.651528      0.923109     -1.216874    0.00  -0.000602356  -0.000423269  -0.000764550
 C     -1.769180     -0.412792     -0.464080    0.00  -0.000289732  -0.000329154  -0.000381792
 C     -0.582326     -0.616159      0.497507    0.00   0.000113087  -0.000533440   0.000033774
 C     -0.224201      0.605394      1.384374    0.00   0.000616853   0.000112382   0.000837598
 H     -2.567736      1.089695     -1.814183    0.00  -0.000092478  -0.000025228  -0.000136159
 H     -2.298274      2.209879      0.419400    0.00   0.000040388   0.000088177  -0.000079609
 H     -1.364848      3.042974     -0.828068    0.00  -0.000024238   0.000003859  -0.000060776
 H      0.727680      1.843946     -0.118855    0.00   0.000073864  -0.000111389   0.000117443
 H      0.026265      2.756385      1.228230    0.00   0.000091291   0.000051332   0.000146073
 H     -2.680500     -0.375546      0.193663    0.00  -0.000005621   0.000004374  -0.000053920
 H     -0.993092      0.673518      2.178974    0.00   0.000056234   0.000084286   0.000052850
 H      0.737894      0.426879      1.907798    0.00   0.000087516  -0.000008037   0.000128746
 H     -0.817670      0.869066     -1.945006    0.00  -0.000081593  -0.000103751  -0.000030053
 O     -0.926281     -1.737220      1.283819    0.00  -0.000526702  -0.000785927  -0.000393689
 C     -1.928785     -1.585303     -1.429016    0.00  -0.000702613  -0.000681166  -0.000524305
 H     -2.056834     -2.524713     -0.872668    0.00  -0.000090258  -0.000111202  -0.000079481
 H     -2.805198     -1.457555     -2.072642    0.00  -0.000100045  -0.000035636  -0.000000724
 H     -1.049335     -1.700930     -2.074690    0.00  -0.000003227  -0.000051628  -0.000065502
 H     -0.128658     -2.138293      1.731527    0.00   0.000020390  -0.000100389  -0.000009105
 O      0.773237     -0.790908      0.005965    0.00   0.000058042   0.000006531  -0.000383178
 O      0.990223     -1.830581     -0.931963    0.00   0.000727162   0.002128909   0.001367304
 C      1.354250     -3.004054     -0.299291    0.00   0.000320286   0.001582623   0.000873656
 H      1.705395     -3.679397     -1.086894    0.00   0.000167703   0.000312154   0.000235747
 O      1.257483     -3.194587      0.888352    0.00  -0.000659944  -0.001103070  -0.001386024
26
 Energy =      -0.205657979662
 C     -0.143144      1.888252      0.554690    0.00   0.000782740  -0.000179515   0.001036400
 C     -1.429079      2.096952     -0.253356    0.00   0.000144629   0.000208890  -0.000450775
 C     -1.658678      0.924410     -1.214360    0.00  -0.000615271  -0.000436197  -0.000804528
 C     -1.773493     -0.412612     -0.463332    0.00  -0.000316942  -0.000383134  -0.000423035
 C     -0.584663     -0.618668      0.495174    0.00   0.000129276  -0.000615061   0.000023958
 C     -0.217910      0.602989      1.380028    0.00   0.000728305   0.000143303   0.000971380
 H     -2.578285      1.093169     -1.805840    0.00  -0.000094980  -0.000021775  -0.000139204
 H     -2.293580      2.208084      0.429098    0.00   0.000053370   0.000094317  -0.000088293
 H     -1.368495      3.043418     -0.823034    0.00  -0.000026255   0.000003985  -0.000072483
 H      0.727836      1.836408     -0.131358    0.00   0.000075271  -0.000121043   0.000125967
 H      0.039634      2.752901      1.219746    0.00   0.000101707   0.000051233   0.000158040
 H     -2.682800     -0.375891      0.197517    0.00  -0.000008649   0.000003812  -0.000057688
 H     -0.981801      0.672999      2.179081    0.00   0.000071613   0.000101480   0.000059881
 H      0.746876      0.422122      1.898095    0.00   0.000103340  -0.000008832   0.000153659
 H     -0.829346      0.870837     -1.947632    0.00  -0.000083475  -0.000105605  -0.000036086
 O     -0.932038     -1.736943      1.283046    0.00  -0.000628195  -0.000863139  -0.000497594
 C     -1.937114     -1.583842     -1.429093    0.00  -0.000792422  -0.000795720  -0.000602597
 H     -2.071228     -2.522851     -0.873435    0.00  -0.000100320  -0.000122929  -0.000085842
 H     -2.811452     -1.451386     -2.074597    0.00  -0.000111375  -0.000041679  -0.000009214
 H     -1.056721     -1.703867     -2.072626    0.00  -0.000009851  -0.000066879  -0.000072681
 H     -0.134930     -2.143987      1.726949    0.00   0.000021846  -0.000114159  -0.000012396
 O      0.772170     -0.791768      0.007698    0.00   0.000058442  -0.000033026  -0.000440947
 O      1.004737     -1.827342     -0.931044    0.00   0.000799355   0.002397870   0.001527985
 C      1.367118     -2.999904     -0.296065    0.00   0.000342011   0.001806467   0.000937554
 H      1.739777     -3.670246     -1.077867    0.00   0.000178702   0.000363562   0.000244026
 O      1.247429     -3.195334      0.888875    0.00  -0.000802873  -0.001266228  -0.001445487
26
 Energy =      -0.205283995076
 C     -0.137869      1.884667      0.548738    0.00   0.000856981  -0.000191181   0.001124663
 C     -1.429158      2.095945     -0.249914    0.00   0.000202758   0.000223255  -0.000514368
 C     -1.665297      0.925536     -1.211942    0.00  -0.000615868  -0.000444271  -0.000839143
 C     -1.777842     -0.412528     -0.462653    0.00  -0.000340241  -0.000442888  -0.000466607
 C     -0.587133     -0.621265      0.492859    0.00   0.000145158  -0.000701736   0.000007409
 C     -0.211282      0.600457      1.375585    0.00   0.000850819   0.000180207   0.001116171
 H     -2.587859      1.096534     -1.798174    0.00  -0.000096590  -0.000018189  -0.000140130
 H     -2.288945      2.205627      0.438724    0.00   0.000067926   0.000099891  -0.000097627
 H     -1.372326      3.043719     -0.817739    0.00  -0.000027969   0.000003971  -0.000085238
 H      0.727958      1.829386     -0.143571    0.00   0.000075908  -0.000129895   0.000134750
 H      0.052496      2.749368      1.211545    0.00   0.000111845   0.000051033   0.000169194
 H     -2.685205     -0.376101      0.201157    0.00  -0.000011655   0.000002103  -0.000061272
 H     -0.969688      0.672143      2.179501    0.00   0.000089176   0.000121095   0.000067222
 H      0.756458      0.417162      1.887754    0.00   0.000120793  -0.000009589   0.000181499
 H     -0.840036      0.872345     -1.949782    0.00  -0.000083332  -0.000105725  -0.000041790
 O     -0.937976     -1.736526      1.282546    0.00  -0.000735343  -0.000934852  -0.000615388
 C     -1.945637     -1.582459     -1.429225    0.00  -0.000878246  -0.000912011  -0.000674347
 H     -2.085414     -2.521092     -0.874274    0.00  -0.000109870  -0.000135419  -0.000091777
 H     -2.818176     -1.445414     -2.076221    0.00  -0.000122647  -0.000048012  -0.000016358
 H     -1.064616     -1.706685     -2.071049    0.00  -0.000016128  -0.000081721  -0.000079132
 H     -0.141428     -2.149687      1.722476    0.00   0.000022888  -0.000127944  -0.000016423
 O      0.770903     -0.792674      0.009367    0.00   0.000049615  -0.000083795  -0.000501071
 O      1.019248     -1.823988     -0.930104    0.00   0.000863443   0.002670907   0.001688117
 C      1.379914     -2.995561     -0.292712    0.00   0.000353328   0.002030050   0.000993816
 H      1.773897     -3.660949     -1.068079    0.00   0.000188104   0.000415031   0.000249174
 O      1.237394     -3.195772      0.889095    0.00  -0.000960854  -0.001430316  -0.001491345
26
 Energy =      -0.204871594867
 C     -0.132650      1.881115      0.542928    0.00   0.000932245  -0.000199668   0.001212810
 C     -1.429201      2.094674     -0.246406    0.00   0.000270904   0.000237183  -0.000581444
 C     -1.671404      0.926472     -1.209609    0.00  -0.000603363  -0.000447496  -0.000868917
 C     -1.782237     -0.412561     -0.462035    0.00  -0.000359977  -0.000509348  -0.000514217
 C     -0.589754     -0.623948      0.490582    0.00   0.000160224  -0.000794332  -0.000017755
 C     -0.204296      0.597795      1.371036    0.00   0.000985150   0.000223695   0.001273854
 H     -2.596494      1.099780     -1.791167    0.00  -0.000097254  -0.000014427  -0.000138879
 H     -2.284349      2.202517      0.448297    0.00   0.000084003   0.000104969  -0.000107446
 H     -1.376332      3.043861     -0.812188    0.00  -0.000029251   0.000003786  -0.000098891
 H      0.728068      1.822875     -0.155516    0.00   0.000075660  -0.000137830   0.000143840
 H      0.064886      2.745796      1.203619    0.00   0.000121685   0.000050724   0.000179496
 H     -2.687747     -0.376234      0.204565    0.00  -0.000014669  -0.000000976  -0.000064766
 H     -0.956692      0.670957      2.180247    0.00   0.000109153   0.000143528   0.000074971
 H      0.766671      0.411990      1.876733    0.00   0.000140025  -0.000010337   0.000212744
 H     -0.849762      0.873565     -1.951465    0.00  -0.000080959  -0.000104103  -0.000047281
 O     -0.944082     -1.735981      1.282330    0.00  -0.000845776  -0.001001897  -0.000746667
 C     -1.954278     -1.581160     -1.429441    0.00  -0.000959542  -0.001029330  -0.000738020
 H     -2.099419     -2.519450     -0.875243    0.00  -0.000119011  -0.000148853  -0.000097092
 H     -2.825207     -1.439604     -2.077658    0.00  -0.000133713  -0.000054440  -0.000021648
 H     -1.072858     -1.709404     -2.069873    0.00  -0.000021918  -0.000095736  -0.000084974
 H     -0.148135     -2.155371      1.718140    0.00   0.000023521  -0.000141646  -0.000021170
 O      0.769412     -0.793602      0.010960    0.00   0.000028645  -0.000146793  -0.000564552
 O      1.033731     -1.820499     -0.929135    0.00   0.000917954   0.002949478   0.001846624
 C      1.392578     -2.991019     -0.289235    0.00   0.000352912   0.002251838   0.001041697
 H      1.807605     -3.651521     -1.057567    0.00   0.000195616   0.000466005   0.000251109
 O      1.227387     -3.195894      0.889020    0.00  -0.001132264  -0.001593994  -0.001523426
26
 Energy =      -0.204420154018
 C     -0.127471      1.877598      0.537253    0.00   0.001007873  -0.000204283   0.001301780
 C     -1.429196      2.093138     -0.242829    0.00   0.000349161   0.000250940  -0.000650799
 C     -1.677013      0.927202     -1.207347    0.00  -0.000576811  -0.000445634  -0.000894451
 C     -1.786698     -0.412726     -0.461465    0.00  -0.000376747  -0.000583685  -0.000568030
 C     -0.592552     -0.626721      0.488362    0.00   0.000173847  -0.000894036  -0.000053797
 C     -0.196926      0.595008      1.366376    0.00   0.001132040   0.000274326   0.001447018
 H     -2.604215      1.102906     -1.784807    0.00  -0.000096901  -0.000010432  -0.000135324
 H     -2.279777      2.198768      0.457821    0.00   0.000101516   0.000109630  -0.000117569
 H     -1.380501      3.043827     -0.806393    0.00  -0.000029984   0.000003379  -0.000113252
 H      0.728184      1.816877     -0.167207    0.00   0.000074340  -0.000144683   0.000153324
 H      0.076824      2.742192      1.195966    0.00   0.000131161   0.000050308   0.000188883
 H     -2.690466     -0.376344      0.207721    0.00  -0.000017759  -0.000005678  -0.000068300
 H     -0.942736      0.669447      2.181335    0.00   0.000131827   0.000169257   0.000083280
 H      0.777552      0.406602      1.864977    0.00   0.000161201  -0.000011133   0.000248012
 H     -0.858533      0.874468     -1.952684    0.00  -0.000076071  -0.000100692  -0.000052690
 O     -0.950338     -1.735329      1.282401    0.00  -0.000956101  -0.001065559  -0.000890597
 C     -1.962973     -1.579947     -1.429764    0.00  -0.001036097  -0.001147169  -0.000792116
 H     -2.113260     -2.517936     -0.876399    0.00  -0.000127762  -0.000163355  -0.000101520
 H     -2.832401     -1.433930     -2.079040    0.00  -0.000144448  -0.000060840  -0.000024698
 H     -1.081302     -1.712028     -2.069019    0.00  -0.000027224  -0.000108546  -0.000090227
 H     -0.155030     -2.161018      1.713967    0.00   0.000023784  -0.000155137  -0.000026569
 O      0.767665     -0.794525      0.012469    0.00  -0.000007728  -0.000223091  -0.000632975
 O      1.048166     -1.816859     -0.928126    0.00   0.000961389   0.003235921   0.002002205
 C      1.405050     -2.986273     -0.285644    0.00   0.000339424   0.002470097   0.001080402
 H      1.840750     -3.641978     -1.046383    0.00   0.000200910   0.000515848   0.000249760
 O      1.217420     -3.195698      0.888660    0.00  -0.001314839  -0.001755754  -0.001541751
26
 Energy =      -0.203928892976
 C     -0.122314      1.874131      0.531707    0.00   0.001082700  -0.000204075   0.001392875
 C     -1.429132      2.091335     -0.239192    0.00   0.000437375   0.000264945  -0.000720993
 C     -1.682133      0.927714     -1.205147    0.00  -0.000535078  -0.000438141  -0.000916441
 C     -1.791249     -0.413040     -0.460930    0.00  -0.000391346  -0.000667322  -0.000630721
 C     -0.595554     -0.629585      0.486220    0.00   0.000185289  -0.001002466  -0.000103418
 C     -0.189147      0.592096      1.361586    0.00   0.001292125   0.000332562   0.001639072
 H     -2.611031      1.105904     -1.779092    0.00  -0.000095460  -0.000006139  -0.000129290
 H     -2.275214      2.194408      0.467292    0.00   0.000120337   0.000113976  -0.000127783
 H     -1.384810      3.043603     -0.800380    0.00  -0.000030068   0.000002667  -0.000128099
 H      0.728330      1.811419     -0.178653    0.00   0.000071684  -0.000150225   0.000163339
 H      0.088319      2.738571      1.188595    0.00   0.000140174   0.000049818   0.000197242
 H     -2.693409     -0.376473      0.210607    0.00  -0.000021018  -0.000012310  -0.000072027
 H     -0.927733      0.667614      2.182778    0.00   0.000157532   0.000198830   0.000092367
 H      0.789142      0.400992      1.852412    0.00   0.000184479  -0.000012067   0.000288059
 H     -0.866352      0.875014     -1.953427    0.00  -0.000068302  -0.000095367  -0.000058169
 O     -0.956722     -1.734599      1.282754    0.00  -0.001061702  -0.001127539  -0.001045867
 C     -1.971663     -1.578817     -1.430218    0.00  -0.001107904  -0.001265198  -0.000835105
 H     -2.126945     -2.516560     -0.877799    0.00  -0.000136066  -0.000179012  -0.000104727
 H     -2.839625     -1.428367     -2.080478    0.00  -0.000154736  -0.000067161  -0.000025222
 H     -1.089815     -1.714550     -2.068418    0.00  -0.000032163  -0.000119801  -0.000094812
 H     -0.162078     -2.166612      1.709977    0.00   0.000023770  -0.000168253  -0.000032465
 O      0.765630     -0.795415      0.013888    0.00  -0.000063195  -0.000313928  -0.000708678
 O      1.062532     -1.813048     -0.927057    0.00   0.000992163   0.003533493   0.002153274
 C      1.417271     -2.981322     -0.281947    0.00   0.000311460   0.002682756   0.001109079
 H      1.873176     -3.632344     -1.034597    0.00   0.000203637   0.000563804   0.000245075
 O      1.207517     -3.195190      0.888032    0.00  -0.001505686  -0.001913846  -0.001546564
26
 Energy =      -0.203396815797
 C     -0.117167      1.870729      0.526284    0.00   0.001154985  -0.000197643   0.001487826
 C     -1.428996      2.089272     -0.235505    0.00   0.000535123   0.000279878  -0.000790354
 C     -1.686770      0.927991     -1.202992    0.00  -0.000476819  -0.000424080  -0.000935774
 C     -1.795919     -0.413514     -0.460413    0.00  -0.000404780  -0.000762085  -0.000705413
 C     -0.598794     -0.632544      0.484179    0.00   0.000193695  -0.001121679  -0.000169829
 C     -0.180934      0.589068      1.356644    0.00   0.001465795   0.000398677   0.001854368
 H     -2.616941      1.108773     -1.774027    0.00  -0.000092852  -0.000001442  -0.000120534
 H     -2.270639      2.189474      0.476699    0.00   0.000140319   0.000118151  -0.000137877
 H     -1.389237      3.043174     -0.794189    0.00  -0.000029430   0.000001544  -0.000143172
 H      0.728531      1.806537     -0.189859    0.00   0.000067325  -0.000154144   0.000174078
 H      0.099370      2.734950      1.181517    0.00   0.000148575   0.000049317   0.000204443
 H     -2.696630     -0.376657      0.213208    0.00  -0.000024573  -0.000021239  -0.000076131
 H     -0.911585      0.665467      2.184591    0.00   0.000186639   0.000232850   0.000102560
 H      0.801486      0.395166      1.838953    0.00   0.000209990  -0.000013289   0.000333772
 H     -0.873207      0.875158     -1.953681    0.00  -0.000057208  -0.000087950  -0.000063893
 O     -0.963208     -1.733835      1.283377    0.00  -0.001156516  -0.001189968  -0.001210657
 C     -1.980294     -1.577770     -1.430823    0.00  -0.001175025  -0.001383279  -0.000865388
 H     -2.140461     -2.515337     -0.879502    0.00  -0.000143784  -0.000195875  -0.000106310
 H     -2.846772     -1.422904     -2.082071    0.00  -0.000164445  -0.000073405  -0.000023002
 H     -1.098282     -1.716945     -2.068010    0.00  -0.000036934  -0.000129169  -0.000098581
 H     -0.169234     -2.172135      1.706185    0.00   0.000023659  -0.000180775  -0.000038590
 O      0.763268     -0.796241      0.015220    0.00  -0.000141938  -0.000420815  -0.000794877
 O      1.076812     -1.809042     -0.925903    0.00   0.001008549   0.003846372   0.002297847
 C      1.429179     -2.976166     -0.278159    0.00   0.000267505   0.002887298   0.001126834
 H      1.904715     -3.622640     -1.022296    0.00   0.000203438   0.000608976   0.000237038
 O      1.197707     -3.194385      0.887153    0.00  -0.001701292  -0.002066227  -0.001538383
26
 Energy =      -0.202822629095
 C     -0.112014      1.867421      0.520974    0.00   0.001222263  -0.000182930   0.001588966
 C     -1.428771      2.086962     -0.231784    0.00   0.000641748   0.000296845  -0.000857022
 C     -1.690921      0.928020     -1.200868    0.00  -0.000400520  -0.000402048  -0.000953530
 C     -1.800748     -0.414161     -0.459894    0.00  -0.000418149  -0.000870212  -0.000795586
 C     -0.602314     -0.635601      0.482265    0.00   0.000198122  -0.001254266  -0.000256740
 C     -0.172262      0.585935      1.351520    0.00   0.001652965   0.000472676   0.002098315
 H     -2.621934      1.111510     -1.769619    0.00  -0.000089002   0.000003800  -0.000108784
 H     -2.266039      2.184016      0.486023    0.00   0.000161303   0.000122360  -0.000147637
 H     -1.393758      3.042531     -0.787866    0.00  -0.000028049  -0.000000131  -0.000158205
 H      0.728814      1.802292     -0.200823    0.00   0.000060776  -0.000156012   0.000185809
 H      0.109970      2.731357      1.174755    0.00   0.000156162   0.000048932   0.000210306
 H     -2.700187     -0.376933      0.215506    0.00  -0.000028571  -0.000032907  -0.000080807
 H     -0.894191      0.663011      2.186773    0.00   0.000219554   0.000271927   0.000114327
 H      0.814623      0.389126      1.824504    0.00   0.000237804  -0.000015023   0.000386132
 H     -0.879079      0.874848     -1.953416    0.00  -0.000042281  -0.000078199  -0.000070061
 O     -0.969765     -1.733089      1.284253    0.00  -0.001232820  -0.001255341  -0.001382616
 C     -1.988818     -1.576801     -1.431602    0.00  -0.001237387  -0.001501472  -0.000881305
 H     -2.153782     -2.514281     -0.881571    0.00  -0.000150698  -0.000213972  -0.000105828
 H     -2.853741     -1.417535     -2.083901    0.00  -0.000173420  -0.000079625  -0.000017875
 H     -1.106592     -1.719177     -2.067754    0.00  -0.000041790  -0.000136338  -0.000101312
 H     -0.176432     -2.177579      1.702596    0.00   0.000023783  -0.000192477  -0.000044494
 O      0.760537     -0.796972      0.016468    0.00  -0.000248687  -0.000545667  -0.000895833
 O      1.090991     -1.804819     -0.924631    0.00   0.001008607   0.004179590   0.002433423
 C      1.440709     -2.970811     -0.274294    0.00   0.000205896   0.003080688   0.001132763
 H      1.935187     -3.612900     -1.009587    0.00   0.000199971   0.000650314   0.000225684
 O      1.188027     -3.193302      0.886049    0.00  -0.001897580  -0.002210514  -0.001518088
26
 Energy =      -0.202204629994
 C     -0.106841      1.864248      0.515776    0.00   0.001281230  -0.000156894   0.001699385
 C     -1.428440      2.084423     -0.228046    0.00   0.000756405   0.000317529  -0.000918999
 C     -1.694582      0.927788     -1.198752    0.00  -0.000304558  -0.000370159  -0.000971007
 C     -1.805774     -0.414991     -0.459351    0.00  -0.000432554  -0.000994323  -0.000904795
 C     -0.606157     -0.638763      0.480502    0.00   0.000197611  -0.001403375  -0.000368388
 C     -0.163108      0.582717      1.346177    0.00   0.001852834   0.000554197   0.002377417
 H     -2.625987      1.114116     -1.765879    0.00  -0.000083846   0.000009779  -0.000093786
 H     -2.261393      2.178089      0.495244    0.00   0.000183163   0.000126887  -0.000156878
 H     -1.398346      3.041667     -0.781469    0.00  -0.000025964  -0.000002518  -0.000172942
 H      0.729212      1.798766     -0.211542    0.00   0.000051404  -0.000155242   0.000198879
 H      0.120105      2.727818      1.168337    0.00   0.000162666   0.000048858   0.000214610
 H     -2.704148     -0.377331      0.217483    0.00  -0.000033174  -0.000047841  -0.000086244
 H     -0.875442      0.660255      2.189317    0.00   0.000256678   0.000316614   0.000128339
 H      0.828590      0.382891      1.808961    0.00   0.000267861  -0.000017591   0.000446153
 H     -0.883942      0.874027     -1.952598    0.00  -0.000022995  -0.000065845  -0.000076887
 O     -0.976348     -1.732429      1.285357    0.00  -0.001280973  -0.001326456  -0.001558883
 C     -1.997186     -1.575906     -1.432577    0.00  -0.001294615  -0.001620118  -0.000881127
 H     -2.166860     -2.513413     -0.884062    0.00  -0.000156519  -0.000233310  -0.000102822
 H     -2.860450     -1.412270     -2.086041    0.00  -0.000181463  -0.000085922  -0.000009733
 H     -1.114646     -1.721193     -2.067610    0.00  -0.000046983  -0.000141025  -0.000102743
 H     -0.183588     -2.182936      1.699199    0.00   0.000024731  -0.000203198  -0.000049470
 O      0.757385     -0.797578      0.017644    0.00  -0.000388836  -0.000690897  -0.001017058
 O      1.105049     -1.800350     -0.923204    0.00   0.000990259   0.004538890   0.002556915
 C      1.451789     -2.965265     -0.270376    0.00   0.000124721   0.003259286   0.001126012
 H      1.964399     -3.603166     -0.996599    0.00   0.000192937   0.000686602   0.000211109
 O      1.178520     -3.191971      0.884747    0.00  -0.002090021  -0.002343929  -0.001487054
26
 Energy =      -0.201540551784
 C     -0.101632      1.861264      0.510681    0.00   0.001327522  -0.000115160   0.001823084
 C     -1.427982      2.081685     -0.224312    0.00   0.000878268   0.000344338  -0.000974206
 C     -1.697745      0.927284     -1.196622    0.00  -0.000187395  -0.000326109  -0.000989649
 C     -1.811038     -0.416014     -0.458765    0.00  -0.000448927  -0.001137380  -0.001036197
 C     -0.610373     -0.642037      0.478918    0.00   0.000191511  -0.001572673  -0.000509431
 C     -0.153458      0.579437      1.340568    0.00   0.002063478   0.000642627   0.002699260
 H     -2.629075      1.116592     -1.762816    0.00  -0.000077354   0.000016762  -0.000075368
 H     -2.256677      2.171762      0.504338    0.00   0.000205865   0.000132110  -0.000165482
 H     -1.402978      3.040582     -0.775062    0.00  -0.000023310  -0.000005808  -0.000187202
 H      0.729764      1.796063     -0.222004    0.00   0.000038395  -0.000151032   0.000213735
 H      0.129754      2.724379      1.162303    0.00   0.000167725   0.000049391   0.000217089
 H     -2.708583     -0.377882      0.219116    0.00  -0.000038555  -0.000066633  -0.000092585
 H     -0.855245      0.657214      2.192194    0.00   0.000298365   0.000367271   0.000145546
 H      0.843404      0.376485      1.792218    0.00   0.000299894  -0.000021408   0.000514759
 H     -0.887768      0.872642     -1.951186    0.00   0.000001105  -0.000050657  -0.000084587
 O     -0.982908     -1.731934      1.286657    0.00  -0.001289155  -0.001406271  -0.001736301
 C     -2.005352     -1.575085     -1.433766    0.00  -0.001345838  -0.001739870  -0.000863168
 H     -2.179632     -2.512753     -0.887033    0.00  -0.000160900  -0.000253870  -0.000096848
 H     -2.866824     -1.407123     -2.088546    0.00  -0.000188328  -0.000092437   0.000001474
 H     -1.122351     -1.722938     -2.067556    0.00  -0.000052727  -0.000143033  -0.000102590
 H     -0.190589     -2.188218      1.695960    0.00   0.000027515  -0.000213005  -0.000052410
 O      0.753760     -0.798026      0.018766    0.00  -0.000568597  -0.000859655  -0.001165526
 O      1.118966     -1.795614     -0.921576    0.00   0.000951383   0.004930523   0.002664577
 C      1.462340     -2.959541     -0.266431    0.00   0.000021814   0.003418771   0.001105806
 H      1.992141     -3.593493     -0.983482    0.00   0.000182122   0.000716466   0.000193477
 O      1.169237     -3.190425      0.883282    0.00  -0.002273876  -0.002463258  -0.001447259
26
 Energy =      -0.200827359375
 C     -0.096364      1.858539      0.505683    0.00   0.001355500  -0.000051510   0.001965154
 C     -1.427373      2.078780     -0.220602    0.00   0.001006788   0.000380450  -0.001020606
 C     -1.700401      0.926499     -1.194455    0.00  -0.000047971  -0.000267501  -0.001010804
 C     -1.816581     -0.417240     -0.458118    0.00  -0.000467776  -0.001302306  -0.001191788
 C     -0.615010     -0.645433      0.477542    0.00   0.000179936  -0.001766307  -0.000684837
 C     -0.143306      0.576137      1.334639    0.00   0.002281510   0.000737552   0.003072378
 H     -2.631174      1.118947     -1.760426    0.00  -0.000069565   0.000025070  -0.000053571
 H     -2.251865      2.165105      0.513288    0.00   0.000229564   0.000138505  -0.000173412
 H     -1.407639      3.039283     -0.768712    0.00  -0.000020338  -0.000010209  -0.000200954
 H      0.730516      1.794315     -0.232190    0.00   0.000020714  -0.000142289   0.000230930
 H      0.138886      2.721090      1.156703    0.00   0.000170814   0.000050931   0.000217402
 H     -2.713559     -0.378614      0.220377    0.00  -0.000044886  -0.000089903  -0.000099861
 H     -0.833533      0.653910      2.195348    0.00   0.000344845   0.000423848   0.000167289
 H      0.859058      0.369956      1.774191    0.00   0.000333273  -0.000026929   0.000592539
 H     -0.890532      0.870644     -1.949144    0.00   0.000030270  -0.000032535  -0.000093333
 O     -0.989379     -1.731700      1.288115    0.00  -0.001243031  -0.001497623  -0.001911682
 C     -2.013266     -1.574338     -1.435188    0.00  -0.001389519  -0.001861823  -0.000825852
 H     -2.192023     -2.512329     -0.890535    0.00  -0.000163475  -0.000275599  -0.000087548
 H     -2.872800     -1.402127     -2.091461    0.00  -0.000193727  -0.000099358   0.000015704
 H     -1.129622     -1.724358     -2.067576    0.00  -0.000059136  -0.000142302  -0.000100577
 H     -0.197300     -2.193469      1.692803    0.00   0.000033830  -0.000222510  -0.000051626
 O      0.749602     -0.798286      0.019856    0.00  -0.000795419  -0.001056175  -0.001350159
 O      1.132712     -1.790588     -0.919701    0.00   0.000890250   0.005360905   0.002752058
 C      1.472282     -2.953659     -0.262494    0.00  -0.000105273   0.003554015   0.001071584
 H      2.018192     -3.583951     -0.970407    0.00   0.000167477   0.000738378   0.000173003
 O      1.160235     -3.188703      0.881698    0.00  -0.002444655  -0.002564777  -0.001401429
26
 Energy =      -0.200060994765
 C     -0.091018      1.856161      0.500783    0.00   0.001357955   0.000042614   0.002131742
 C     -1.426587      2.075752     -0.216938    0.00   0.001142045   0.000429611  -0.001056379
 C     -1.702540      0.925436     -1.192227    0.00   0.000113628  -0.000192439  -0.001035283
 C     -1.822429     -0.418675     -0.457402    0.00  -0.000489065  -0.001491675  -0.001371266
 C     -0.620112     -0.648965      0.476397    0.00   0.000165057  -0.001988857  -0.000899215
 C     -0.132660      0.572869      1.328336    0.00   0.002501808   0.000840536   0.003506031
 H     -2.632269      1.121189     -1.758689    0.00  -0.000060626   0.000035078  -0.000028775
 H     -2.246924      2.158190      0.522077    0.00   0.000254673   0.000146601  -0.000180751
 H     -1.412320      3.037784     -0.762484    0.00  -0.000017409  -0.000015938  -0.000214376
 H      0.731528      1.793681     -0.242067    0.00  -0.000002962  -0.000127564   0.000251144
 H      0.147470      2.718021      1.151594    0.00   0.000171145   0.000053977   0.000215164
 H     -2.719132     -0.379546      0.221230    0.00  -0.000052334  -0.000118214  -0.000107915
 H     -0.810292      0.650372      2.198678    0.00   0.000396083   0.000485433   0.000195456
 H      0.875509      0.363369      1.754842    0.00   0.000366785  -0.000034416   0.000679302
 H     -0.892230      0.868002     -1.946449    0.00   0.000064324  -0.000011682  -0.000103209
 O     -0.995686     -1.731830      1.289692    0.00  -0.001125329  -0.001602793  -0.002082382
 C     -2.020883     -1.573677     -1.436858    0.00  -0.001423379  -0.001987615  -0.000767853
 H     -2.203942     -2.512166     -0.894596    0.00  -0.000163894  -0.000298372  -0.000074712
 H     -2.878328     -1.397326     -2.094810    0.00  -0.000197322  -0.000106915   0.000032781
 H     -1.136384     -1.725408     -2.067666    0.00  -0.000066172  -0.000139021  -0.000096482
 H     -0.203559     -2.198783      1.689586    0.00   0.000046426  -0.000233316  -0.000044572
 O      0.744845     -0.798329      0.020942    0.00  -0.001079123  -0.001286401  -0.001583025
 O      1.146254     -1.785261     -0.917525    0.00   0.000806553   0.005835951   0.002814479
 C      1.481524     -2.947647     -0.258606    0.00  -0.000259146   0.003658924   0.001023219
 H      2.042321     -3.574628     -0.957563    0.00   0.000149226   0.000750692   0.000149908
 O      1.151575     -3.186846      0.880041    0.00  -0.002598947  -0.002644200  -0.001353030
26
 Energy =      -0.199236082493
 C     -0.085563      1.854239      0.495983    0.00   0.001325752   0.000178497   0.002329629
 C     -1.425596      2.072643     -0.213336    0.00   0.001284877   0.000495409  -0.001080254
 C     -1.704162      0.924104     -1.189921    0.00   0.000294913  -0.000100632  -0.001062565
 C     -1.828592     -0.420322     -0.456619    0.00  -0.000512399  -0.001707321  -0.001570638
 C     -0.625711     -0.652658      0.475504    0.00   0.000153911  -0.002245843  -0.001154949
 C     -0.121534      0.569709      1.321610    0.00   0.002717981   0.000959908   0.004010160
 H     -2.632372      1.123334     -1.757559    0.00  -0.000050897   0.000047112  -0.000001776
 H     -2.241817      2.151075      0.530699    0.00   0.000281821   0.000156875  -0.000187646
 H     -1.417022      3.036107     -0.756432    0.00  -0.000014922  -0.000023173  -0.000227889
 H      0.732866      1.794346     -0.251593    0.00  -0.000034343  -0.000105094   0.000275175
 H      0.155460      2.715261      1.147044    0.00   0.000167451   0.000059065   0.000210042
 H     -2.725340     -0.380696      0.221634    0.00  -0.000061072  -0.000151905  -0.000116284
 H     -0.785601      0.646632      2.202030    0.00   0.000451577   0.000549274   0.000232720
 H      0.892660      0.356829      1.734224    0.00   0.000398221  -0.000043290   0.000773158
 H     -0.892888      0.864714     -1.943110    0.00   0.000102413   0.000011255  -0.000114092
 O     -1.001739     -1.732440      1.291351    0.00  -0.000915256  -0.001722701  -0.002246895
 C     -2.028154     -1.573114     -1.438789    0.00  -0.001444314  -0.002119697  -0.000688202
 H     -2.215298     -2.512287     -0.899229    0.00  -0.000161895  -0.000321937  -0.000058371
 H     -2.883371     -1.392774     -2.098602    0.00  -0.000198664  -0.000115448   0.000052386
 H     -1.142581     -1.726063     -2.067830    0.00  -0.000073582  -0.000133692  -0.000090178
 H     -0.209186     -2.204340      1.686077    0.00   0.000069584  -0.000248653  -0.000027591
 O      0.739413     -0.798124      0.022062    0.00  -0.001435149  -0.001558846  -0.001882519
 O      1.159548     -1.779635     -0.915004    0.00   0.000703793   0.006359735   0.002846649
 C      1.489974     -2.941541     -0.254818    0.00  -0.000442059   0.003726087   0.000961536
 H      2.064300     -3.565638     -0.945144    0.00   0.000128102   0.000751676   0.000124290
 O      1.143320     -3.184894      0.878369    0.00  -0.002735843  -0.002696660  -0.001305896
26
 Energy =      -0.198345599404
 C     -0.079969      1.852893      0.491292    0.00   0.001247491   0.000369858   0.002564652
 C     -1.424374      2.069498     -0.209818    0.00   0.001436217   0.000579655  -0.001092186
 C     -1.705275      0.922532     -1.187535    0.00   0.000488935   0.000005007  -0.001089578
 C     -1.835051     -0.422172     -0.455790    0.00  -0.000538422  -0.001950827  -0.001780838
 C     -0.631808     -0.656558      0.474866    0.00   0.000165104  -0.002546303  -0.001446926
 C     -0.109935      0.566759      1.314442    0.00   0.002924342   0.001122117   0.004596143
 H     -2.631537      1.125407     -1.756963    0.00  -0.000041113   0.000061284   0.000026361
 H     -2.236515      2.143817      0.539145    0.00   0.000311442   0.000169489  -0.000194101
 H     -1.421756      3.034282     -0.750599    0.00  -0.000013068  -0.000031934  -0.000241932
 H      0.734596      1.796516     -0.260714    0.00  -0.000075628  -0.000073126   0.000303885
 H      0.162800      2.712932      1.143108    0.00   0.000157577   0.000066599   0.000202097
 H     -2.732180     -0.382058      0.221544    0.00  -0.000071351  -0.000190835  -0.000124111
 H     -0.759698      0.642721      2.205161    0.00   0.000510043   0.000608727   0.000282607
 H      0.910366      0.350513      1.712565    0.00   0.000423646  -0.000050471   0.000868813
 H     -0.892578      0.860823     -1.939180    0.00   0.000142747   0.000035131  -0.000125526
 O     -1.007438     -1.733651      1.293056    0.00  -0.000587854  -0.001855498  -0.002405553
 C     -2.035034     -1.572672     -1.440983    0.00  -0.001448458  -0.002261720  -0.000586337
 H     -2.225996     -2.512709     -0.904404    0.00  -0.000157320  -0.000345748  -0.000038878
 H     -2.887908     -1.388550     -2.102822    0.00  -0.000196948  -0.000125583   0.000074115
 H     -1.148172     -1.726333     -2.068084    0.00  -0.000080830  -0.000127070  -0.000081698
 H     -0.213991     -2.210438      1.681919    0.00   0.000109629  -0.000274030   0.000004295
 O      0.733208     -0.797634      0.023269    0.00  -0.001893083  -0.001884494  -0.002281274
 O      1.172546     -1.773745     -0.912099    0.00   0.000594970   0.006930925   0.002843834
 C      1.497544     -2.935389     -0.251190    0.00  -0.000654907   0.003746020   0.000889618
 H      2.083914     -3.557129     -0.933334    0.00   0.000105864   0.000739588   0.000095811
 O      1.135531     -3.182882      0.876736    0.00  -0.002859024  -0.002716763  -0.001263293
26
 Energy =      -0.197380425533
 C     -0.074215      1.852254      0.486737    0.00   0.001109365   0.000630606   0.002837837
 C     -1.422912      2.066360     -0.206400    0.00   0.001594850   0.000679495  -0.001094191
 C     -1.705913      0.920766     -1.185096    0.00   0.000681412   0.000116839  -0.001109159
 C     -1.841764     -0.424204     -0.454964    0.00  -0.000572699  -0.002226025  -0.001986981
 C     -0.638353     -0.660764      0.474439    0.00   0.000242451  -0.002911426  -0.001751674
 C     -0.097812      0.564169      1.306866    0.00   0.003119802   0.001393271   0.005279261
 H     -2.629862      1.127441     -1.756813    0.00  -0.000032574   0.000077273   0.000054756
 H     -2.231014      2.136479      0.547386    0.00   0.000342700   0.000183804  -0.000199565
 H     -1.426514      3.032341     -0.745021    0.00  -0.000011412  -0.000041835  -0.000256316
 H      0.736764      1.800397     -0.269378    0.00  -0.000129495  -0.000030907   0.000337923
 H      0.169417      2.711199      1.139811    0.00   0.000137864   0.000076494   0.000192581
 H     -2.739601     -0.383597      0.220922    0.00  -0.000083816  -0.000234035  -0.000130116
 H     -0.733088      0.638619      2.207700    0.00   0.000569068   0.000649722   0.000348470
 H      0.928421      0.344714      1.690413    0.00   0.000436315  -0.000046884   0.000954997
 H     -0.891429      0.856435     -1.934776    0.00   0.000182451   0.000058412  -0.000136573
 O     -1.012668     -1.735583      1.294790    0.00  -0.000113887  -0.001994110  -0.002560607
 C     -2.041484     -1.572379     -1.443442    0.00  -0.001431323  -0.002418378  -0.000462222
 H     -2.235945     -2.513434     -0.910049    0.00  -0.000150045  -0.000368647  -0.000016965
 H     -2.891933     -1.384753     -2.107444    0.00  -0.000190485  -0.000138560   0.000097669
 H     -1.153133     -1.726256     -2.068445    0.00  -0.000087053  -0.000119807  -0.000071314
 H     -0.217796     -2.217524      1.676626    0.00   0.000174964  -0.000317487   0.000057172
 O      0.726092     -0.796792      0.024653    0.00  -0.002516118  -0.002270619  -0.002842432
 O      1.185191     -1.767678     -0.908794    0.00   0.000515147   0.007532834   0.002805215
 C      1.504157     -2.929255     -0.247801    0.00  -0.000895044   0.003705954   0.000815227
 H      2.100989     -3.549314     -0.922278    0.00   0.000086515   0.000712968   0.000062988
 O      1.128260     -3.180825      0.875199    0.00  -0.002978953  -0.002698955  -0.001225982
26
 Energy =      -0.196328256985
 C     -0.068310      1.852445      0.482365    0.00   0.000896747   0.000967739   0.003137883
 C     -1.421233      2.063271     -0.203108    0.00   0.001753142   0.000783838  -0.001090546
 C     -1.706141      0.918889     -1.182665    0.00   0.000848635   0.000222627  -0.001108906
 C     -1.848666     -0.426361     -0.454221    0.00  -0.000632144  -0.002542988  -0.002168744
 C     -0.645223     -0.665482      0.474074    0.00   0.000475932  -0.003396878  -0.002012292
 C     -0.085002      0.562156      1.299038    0.00   0.003310772   0.001908305   0.006082349
 H     -2.627507      1.129488     -1.757032    0.00  -0.000027210   0.000094149   0.000083120
 H     -2.225380      2.129178      0.555341    0.00   0.000371791   0.000197726  -0.000202365
 H     -1.431237      3.030317     -0.739750    0.00  -0.000008424  -0.000051711  -0.000269119
 H      0.739344      1.806144     -0.277546    0.00  -0.000198376   0.000019454   0.000376930
 H      0.175218      2.710295      1.137095    0.00   0.000102608   0.000087640   0.000185061
 H     -2.747486     -0.385230      0.219744    0.00  -0.000100261  -0.000279514  -0.000132656
 H     -0.706700      0.634188      2.209096    0.00   0.000625040   0.000646648   0.000429015
 H      0.946597      0.339943      1.668826    0.00   0.000425696  -0.000011967   0.001012177
 H     -0.889620      0.851725     -1.930079    0.00   0.000217553   0.000079414  -0.000145722
 O     -1.017302     -1.738339      1.296545    0.00   0.000536164  -0.002121927  -0.002713905
 C     -2.047467     -1.572268     -1.446148    0.00  -0.001388232  -0.002592000  -0.000317245
 H     -2.245043     -2.514443     -0.916027    0.00  -0.000139786  -0.000388348   0.000006218
 H     -2.895448     -1.381541     -2.112437    0.00  -0.000176226  -0.000156316   0.000123045
 H     -1.157448     -1.725908     -2.068916    0.00  -0.000091093  -0.000111697  -0.000059664
 H     -0.220455     -2.226165      1.669608    0.00   0.000274303  -0.000388495   0.000137410
 O      0.717855     -0.795448      0.026387    0.00  -0.003435146  -0.002697147  -0.003683766
 O      1.197421     -1.761638     -0.905132    0.00   0.000545438   0.008110143   0.002745323
 C      1.509758     -2.923230     -0.244755    0.00  -0.001152878   0.003588399   0.000754983
 H      2.115410     -3.542513     -0.912031    0.00   0.000078681   0.000671378   0.000021773
 O      1.121555     -3.178719      0.873804    0.00  -0.003112727  -0.002638469  -0.001190360
26
 Energy =      -0.195169974182
 C     -0.062341      1.853536      0.478266    0.00   0.000602558   0.001365406   0.003430099
 C     -1.419411      2.060285     -0.199988    0.00   0.001892014   0.000871334  -0.001085374
 C     -1.706049      0.917024     -1.180350    0.00   0.000960340   0.000309695  -0.001073130
 C     -1.855678     -0.428546     -0.453683    0.00  -0.000747867  -0.002915580  -0.002301386
 C     -0.652211     -0.671092      0.473446    0.00   0.001015052  -0.004132805  -0.002136759
 C     -0.071184      0.561041      1.291288    0.00   0.003502618   0.002880927   0.007032064
 H     -2.624683      1.131605     -1.757563    0.00  -0.000026778   0.000110242   0.000111085
 H     -2.219797      2.122148      0.562815    0.00   0.000390662   0.000207353  -0.000199582
 H     -1.435758      3.028255     -0.734884    0.00  -0.000001698  -0.000059271  -0.000275718
 H      0.742184      1.813739     -0.285202    0.00  -0.000281903   0.000070850   0.000417909
 H      0.180086      2.710515      1.134783    0.00   0.000045265   0.000097442   0.000185461
 H     -2.755648     -0.386782      0.218017    0.00  -0.000124451  -0.000324271  -0.000129942
 H     -0.682045      0.629055      2.208635    0.00   0.000674512   0.000562563   0.000509374
 H      0.964654      0.337032      1.649557    0.00   0.000378286   0.000090039   0.001014434
 H     -0.887381      0.846956     -1.925340    0.00   0.000243180   0.000096395  -0.000150932
 O     -1.021192     -1.741959      1.298329    0.00   0.001372511  -0.002206474  -0.002855256
 C     -2.052932     -1.572362     -1.449057    0.00  -0.001315475  -0.002770180  -0.000157379
 H     -2.253156     -2.515693     -0.922114    0.00  -0.000126036  -0.000401035   0.000029041
 H     -2.898441     -1.379123     -2.117749    0.00  -0.000150626  -0.000180117   0.000150029
 H     -1.161082     -1.725382     -2.069464    0.00  -0.000091667  -0.000101158  -0.000047901
 H     -0.221861     -2.236910      1.660326    0.00   0.000410687  -0.000493507   0.000249890
 O      0.708237     -0.793283      0.028797    0.00  -0.004877173  -0.003063328  -0.004986325
 O      1.209148     -1.756019     -0.901287    0.00   0.000841795   0.008529569   0.002717267
 C      1.514323     -2.917451     -0.242200    0.00  -0.001407907   0.003372125   0.000739678
 H      2.127170     -3.537237     -0.902492    0.00   0.000098209   0.000617091  -0.000036037
 O      1.115463     -3.176551      0.872584    0.00  -0.003276108  -0.002533305  -0.001150612
26
 Energy =      -0.193870754624
 C     -0.056535      1.855455      0.474575    0.00   0.000248952   0.001762441   0.003648926
 C     -1.417587      2.057492     -0.197131    0.00   0.001979770   0.000915265  -0.001076564
 C     -1.705751      0.915324     -1.178284    0.00   0.000992674   0.000372126  -0.000991481
 C     -1.862663     -0.430599     -0.453481    0.00  -0.000947006  -0.003331411  -0.002357407
 C     -0.659082     -0.678140      0.472041    0.00   0.002021317  -0.005336825  -0.002049759
 C     -0.056045      0.561225      1.284179    0.00   0.003669260   0.004516941   0.008120297
 H     -2.621667      1.133796     -1.758352    0.00  -0.000030917   0.000122770   0.000135997
 H     -2.214604      2.115785      0.569486    0.00   0.000388930   0.000207960  -0.000188506
 H     -1.439789      3.026231     -0.730602    0.00   0.000010060  -0.000061439  -0.000269856
 H      0.744980      1.822797     -0.292309    0.00  -0.000371733   0.000111762   0.000453606
 H      0.183896      2.712093      1.132600    0.00  -0.000034897   0.000102270   0.000197621
 H     -2.763810     -0.387996      0.215811    0.00  -0.000160120  -0.000363876  -0.000120812
 H     -0.661132      0.622577      2.205606    0.00   0.000718997   0.000363489   0.000560828
 H      0.982305      0.337061      1.634876    0.00   0.000283069   0.000297991   0.000940926
 H     -0.884982      0.842467     -1.920879    0.00   0.000254588   0.000107379  -0.000149938
 O     -1.024185     -1.746323      1.300115    0.00   0.002333256  -0.002197202  -0.002933858
 C     -2.057780     -1.572654     -1.452044    0.00  -0.001212587  -0.002906259   0.000000859
 H     -2.260092     -2.517100     -0.927980    0.00  -0.000108525  -0.000402041   0.000049396
 H     -2.900881     -1.377679     -2.123234    0.00  -0.000113511  -0.000206662   0.000176309
 H     -1.163970     -1.724774     -2.070006    0.00  -0.000087682  -0.000086101  -0.000037470
 H     -0.221928     -2.249912      1.648590    0.00   0.000572463  -0.000625335   0.000394501
 O      0.697091     -0.789774      0.032372    0.00  -0.007096308  -0.003135335  -0.006911704
 O      1.220207     -1.751477     -0.897653    0.00   0.001615610   0.008560267   0.002825925
 C      1.517876     -2.912117     -0.240325    0.00  -0.001626844   0.003041745   0.000814283
 H      2.136406     -3.534173     -0.893375    0.00   0.000164443   0.000557162  -0.000121051
 O      1.110051     -3.174329      0.871566    0.00  -0.003463258  -0.002387082  -0.001111067
26
 Energy =      -0.192373911841
 C     -0.051249      1.857910      0.471444    0.00  -0.000095728   0.002055816   0.003717078
 C     -1.415937      2.055013     -0.194652    0.00   0.001984236   0.000899241  -0.001052599
 C     -1.705356      0.913928     -1.176577    0.00   0.000946430   0.000412565  -0.000870716
 C     -1.869353     -0.432339     -0.453680    0.00  -0.001209757  -0.003703458  -0.002315656
 C     -0.665688     -0.687043      0.469392    0.00   0.003495665  -0.007135346  -0.001789134
 C     -0.039678      0.562989      1.278335    0.00   0.003741738   0.006751358   0.009221656
 H     -2.618788      1.135951     -1.759292    0.00  -0.000036179   0.000128052   0.000152461
 H     -2.210187      2.110523      0.575000    0.00   0.000361157   0.000197095  -0.000169175
 H     -1.443020      3.024362     -0.727090    0.00   0.000024490  -0.000056404  -0.000248483
 H      0.747379      1.832433     -0.298750    0.00  -0.000448888   0.000132977   0.000474298
 H      0.186603      2.714934      1.130357    0.00  -0.000122959   0.000099789   0.000215582
 H     -2.771584     -0.388635      0.213292    0.00  -0.000204013  -0.000391598  -0.000106158
 H     -0.645651      0.614151      2.199716    0.00   0.000768251   0.000052371   0.000570910
 H      0.999127      0.340813      1.626573    0.00   0.000142225   0.000610811   0.000795015
 H     -0.882702      0.838590     -1.917019    0.00   0.000249967   0.000110639  -0.000141271
 O     -1.026185     -1.751045      1.301804    0.00   0.003235993  -0.002049835  -0.002847410
 C     -2.061870     -1.573076     -1.454883    0.00  -0.001084825  -0.002925994   0.000130456
 H     -2.265682     -2.518535     -0.933251    0.00  -0.000088116  -0.000388567   0.000065168
 H     -2.902731     -1.377187     -2.128564    0.00  -0.000072035  -0.000226136   0.000196221
 H     -1.166069     -1.724178     -2.070444    0.00  -0.000078595  -0.000066486  -0.000029098
 H     -0.220571     -2.264501      1.634928    0.00   0.000733822  -0.000751453   0.000561084
 O      0.684699     -0.784422      0.037533    0.00  -0.010088734  -0.002636958  -0.009368728
 O      1.230339     -1.748739     -0.894799    0.00   0.002966114   0.007979914   0.003159660
 C      1.520527     -2.907452     -0.239286    0.00  -0.001772873   0.002609586   0.001014247
 H      2.143451     -3.533857     -0.884344    0.00   0.000281511   0.000502527  -0.000235643
 O      1.105392     -3.172126      0.870778    0.00  -0.003628899  -0.002210506  -0.001099764
26
 Energy =      -0.190624650714
 C     -0.046754      1.860489      0.468922    0.00  -0.000354634   0.002166808   0.003597518
 C     -1.414569      2.052928     -0.192614    0.00   0.001895596   0.000830355  -0.001001264
 C     -1.704942      0.912880     -1.175251    0.00   0.000847796   0.000434241  -0.000732259
 C     -1.875454     -0.433661     -0.454202    0.00  -0.001462292  -0.003901293  -0.002176740
 C     -0.672037     -0.697695      0.465452    0.00   0.005142158  -0.009252155  -0.001497956
 C     -0.022729      0.566195      1.274019    0.00   0.003677977   0.009071693   0.010095939
 H     -2.616282      1.137901     -1.760252    0.00  -0.000038679   0.000124207   0.000156809
 H     -2.206736      2.106541      0.579243    0.00   0.000312886   0.000176890  -0.000144702
 H     -1.445350      3.022753     -0.724389    0.00   0.000036967  -0.000045773  -0.000215555
 H      0.749203      1.841659     -0.304404    0.00  -0.000494028   0.000134842   0.000473487
 H      0.188349      2.718524      1.128085    0.00  -0.000193952   0.000091255   0.000226048
 H     -2.778635     -0.388663      0.210703    0.00  -0.000243969  -0.000401016  -0.000088942
 H     -0.635748      0.603710      2.191349    0.00   0.000825827  -0.000309626   0.000559632
 H      1.014713      0.348082      1.624635    0.00  -0.000022198   0.000959630   0.000608697
 H     -0.880727      0.835476     -1.913925    0.00   0.000232340   0.000106169  -0.000125816
 O     -1.027260     -1.755618      1.303255    0.00   0.003866238  -0.001770960  -0.002517996
 C     -2.065145     -1.573532     -1.457368    0.00  -0.000941499  -0.002786357   0.000211183
 H     -2.269957     -2.519888     -0.937712    0.00  -0.000066903  -0.000362149   0.000075282
 H     -2.904030     -1.377357     -2.133371    0.00  -0.000036478  -0.000229302   0.000204235
 H     -1.167447     -1.723663     -2.070735    0.00  -0.000065157  -0.000045335  -0.000022227
 H     -0.217741     -2.279455      1.620385    0.00   0.000869356  -0.000828164   0.000729847
 O      0.671769     -0.777158      0.044291    0.00  -0.013347757  -0.001520771  -0.011881547
 O      1.239358     -1.748117     -0.893116    0.00   0.004675028   0.006788648   0.003657962
 C      1.522484     -2.903554     -0.239086    0.00  -0.001828969   0.002124155   0.001319023
 H      2.148848     -3.536162     -0.875209    0.00   0.000423434   0.000460566  -0.000363030
 O      1.101465     -3.170057      0.870236    0.00  -0.003709085  -0.002016557  -0.001147628
26
 Energy =      -0.188621344054
 C     -0.043068      1.862905      0.466921    0.00  -0.000498101   0.002092161   0.003310224
 C     -1.413482      2.051216     -0.190975    0.00   0.001728884   0.000728891  -0.000919006
 C     -1.704549      0.912124     -1.174232    0.00   0.000725599   0.000435968  -0.000594791
 C     -1.880847     -0.434586     -0.454902    0.00  -0.001631295  -0.003850802  -0.001960137
 C     -0.678235     -0.709603      0.460566    0.00   0.006536667  -0.011106133  -0.001290153
 C     -0.005869      0.570368      1.271003    0.00   0.003501795   0.010824355   0.010523059
 H     -2.614205      1.139559     -1.761144    0.00  -0.000037160   0.000112641   0.000149895
 H     -2.204150      2.103670      0.582410    0.00   0.000255280   0.000151673  -0.000118684
 H     -1.446930      3.021422     -0.722357    0.00   0.000044441  -0.000033155  -0.000178021
 H      0.750516      1.849953     -0.309289    0.00  -0.000500028   0.000124144   0.000450460
 H      0.189416      2.722294      1.125922    0.00  -0.000232500   0.000079811   0.000220769
 H     -2.784867     -0.388229      0.208215    0.00  -0.000268319  -0.000390057  -0.000071842
 H     -0.630146      0.591698      2.181214    0.00   0.000875558  -0.000637415   0.000545767
 H      1.028963      0.357940      1.627561    0.00  -0.000178715   0.001253838   0.000419701
 H     -0.879084      0.833038     -1.911533    0.00   0.000206748   0.000095855  -0.000106262
 O     -1.027611     -1.759730      1.304376    0.00   0.004126617  -0.001414817  -0.001967668
 C     -2.067702     -1.573959     -1.459431    0.00  -0.000790814  -0.002506548   0.000243034
 H     -2.273181     -2.521117     -0.941412    0.00  -0.000047036  -0.000326660   0.000079746
 H     -2.904897     -1.377840     -2.137505    0.00  -0.000012080  -0.000214876   0.000198989
 H     -1.168276     -1.723252     -2.070900    0.00  -0.000049465  -0.000026234  -0.000015956
 H     -0.213431     -2.293897      1.605769    0.00   0.000962818  -0.000832505   0.000879061
 O      0.658932     -0.768320      0.052309    0.00  -0.016113430  -0.000037782  -0.013846186
 O      1.247312     -1.749375     -0.892600    0.00   0.006306574   0.005218662   0.004126232
 C      1.523990     -2.900318     -0.239579    0.00  -0.001802741   0.001640822   0.001650776
 H      2.153177     -3.540413     -0.865913    0.00   0.000550940   0.000429687  -0.000475765
 O      1.098117     -3.168176      0.869934    0.00  -0.003660237  -0.001811525  -0.001253242
26
 Energy =      -0.186441332196
 C     -0.040051      1.865058      0.465304    0.00  -0.000539558   0.001875262   0.002897423
 C     -1.412616      2.049799     -0.189642    0.00   0.001505711   0.000611788  -0.000808896
 C     -1.704185      0.911576     -1.173436    0.00   0.000596890   0.000415202  -0.000466691
 C     -1.885578     -0.435190     -0.455669    0.00  -0.001677169  -0.003555652  -0.001687872
 C     -0.684387     -0.722285      0.455135    0.00   0.007356514  -0.012175833  -0.001187739
 C      0.010552      0.575033      1.268874    0.00   0.003247074   0.011578652   0.010372409
 H     -2.612497      1.140938     -1.761950    0.00  -0.000032529   0.000096097   0.000134637
 H     -2.202211      2.101620      0.584789    0.00   0.000197275   0.000124761  -0.000093478
 H     -1.447982      3.020329     -0.720807    0.00   0.000046273  -0.000021456  -0.000140811
 H      0.751461      1.857256     -0.313528    0.00  -0.000470118   0.000107055   0.000407773
 H      0.190062      2.725910      1.123964    0.00  -0.000237827   0.000067602   0.000199940
 H     -2.790380     -0.387508      0.205891    0.00  -0.000271831  -0.000360221  -0.000055975
 H     -0.627320      0.578649      2.169880    0.00   0.000891913  -0.000865671   0.000528340
 H      1.042019      0.369491      1.633718    0.00  -0.000300941   0.001429664   0.000253314
 H     -0.877711      0.831103     -1.909685    0.00   0.000176861   0.000082018  -0.000085185
 O     -1.027436     -1.763309      1.305154    0.00   0.004035831  -0.001041344  -0.001291437
 C     -2.069712     -1.574334     -1.461119    0.00  -0.000638383  -0.002133943   0.000238011
 H     -2.275660     -2.522236     -0.944525    0.00  -0.000029988  -0.000285012   0.000078786
 H     -2.905460     -1.378405     -2.141008    0.00   0.000001621  -0.000187190   0.000182233
 H     -1.168726     -1.722945     -2.070987    0.00  -0.000033917  -0.000011290  -0.000009901
 H     -0.207603     -2.307581      1.591359    0.00   0.001003271  -0.000767236   0.000988635
 O      0.646489     -0.758301      0.061230    0.00  -0.017746827   0.001456648  -0.014809557
 O      1.254390     -1.752079     -0.893035    0.00   0.007456604   0.003554110   0.004370433
 C      1.525231     -2.897564     -0.240599    0.00  -0.001706569   0.001196991   0.001916403
 H      2.156878     -3.545915     -0.856431    0.00   0.000633694   0.000402331  -0.000550481
 O      1.095158     -3.166482      0.869849    0.00  -0.003463874  -0.001593334  -0.001380316
26
 Energy =      -0.184226962171
 C     -0.037541      1.866952      0.463960    0.00  -0.000505906   0.001565005   0.002397503
 C     -1.411913      2.048605     -0.188533    0.00   0.001243304   0.000488645  -0.000675755
 C     -1.703848      0.911172     -1.172790    0.00   0.000468987   0.000370983  -0.000349864
 C     -1.889756     -0.435551     -0.456438    0.00  -0.001587332  -0.003058474  -0.001377081
 C     -0.690567     -0.735419      0.449457    0.00   0.007429286  -0.012145705  -0.001147637
 C      0.026423      0.579854      1.267275    0.00   0.002914982   0.011177471   0.009583191
 H     -2.611070      1.142084     -1.762677    0.00  -0.000026202   0.000076973   0.000113645
 H     -2.200727      2.100141      0.586623    0.00   0.000143907   0.000097882  -0.000070224
 H     -1.448686      3.019420     -0.719589    0.00   0.000043076  -0.000012140  -0.000106235
 H      0.752169      1.863698     -0.317258    0.00  -0.000411048   0.000087040   0.000348645
 H      0.190459      2.729242      1.122233    0.00  -0.000216424   0.000055299   0.000167665
 H     -2.795318     -0.386621      0.203728    0.00  -0.000253957  -0.000313968  -0.000041487
 H     -0.626110      0.564988      2.157713    0.00   0.000853053  -0.000959418   0.000493641
 H      1.054081      0.382133      1.641933    0.00  -0.000371047   0.001455110   0.000122453
 H     -0.876540      0.829522     -1.908230    0.00   0.000144485   0.000066445  -0.000064374
 O     -1.026878     -1.766404      1.305602    0.00   0.003655903  -0.000692969  -0.000606041
 C     -2.071320     -1.574661     -1.462511    0.00  -0.000488705  -0.001712060   0.000209222
 H     -2.277636     -2.523271     -0.947219    0.00  -0.000016614  -0.000238356   0.000072487
 H     -2.905817     -1.378946     -2.143995    0.00   0.000007341  -0.000151596   0.000156406
 H     -1.168917     -1.722718     -2.071035    0.00  -0.000020463  -0.000001196  -0.000004326
 H     -0.200144     -2.320609      1.577114    0.00   0.000978015  -0.000649328   0.001037791
 O      0.634526     -0.747390      0.070797    0.00  -0.017831618   0.002639137  -0.014515353
 O      1.260782     -1.755854     -0.894188    0.00   0.007849816   0.002028414   0.004266001
 C      1.526324     -2.895128     -0.242025    0.00  -0.001545359   0.000812982   0.002032104
 H      2.160225     -3.552177     -0.846730    0.00   0.000654801   0.000369117  -0.000571735
 O      1.092429     -3.164946      0.869969    0.00  -0.003112279  -0.001355294  -0.001470640
26
 Energy =      -0.182159702986
 C     -0.035415      1.868621      0.462813    0.00  -0.000421141   0.001199546   0.001839534
 C     -1.411327      2.047574     -0.187587    0.00   0.000953460   0.000364088  -0.000524212
 C     -1.703535      0.910863     -1.172253    0.00   0.000344497   0.000304461  -0.000244052
 C     -1.893482     -0.435727     -0.457181    0.00  -0.001364278  -0.002411303  -0.001040597
 C     -0.696817     -0.748801      0.443730    0.00   0.006695469  -0.010878640  -0.001093562
 C      0.041738      0.584612      1.265959    0.00   0.002472610   0.009653113   0.008138331
 H     -2.609855      1.143049     -1.763339    0.00  -0.000019294   0.000056943   0.000088710
 H     -2.199563      2.099059      0.588080    0.00   0.000097443   0.000071734  -0.000049342
 H     -1.449161      3.018652     -0.718602    0.00   0.000035835  -0.000005633  -0.000075050
 H      0.752724      1.869439     -0.320592    0.00  -0.000329545   0.000065676   0.000276058
 H      0.190712      2.732267      1.120714    0.00  -0.000176153   0.000042857   0.000128307
 H     -2.799812     -0.385644      0.201698    0.00  -0.000216216  -0.000253502  -0.000028253
 H     -0.625746      0.551027      2.144951    0.00   0.000745471  -0.000908879   0.000423935
 H      1.065308      0.395505      1.651455    0.00  -0.000377473   0.001320277   0.000032615
 H     -0.875510      0.828189     -1.907060    0.00   0.000110338   0.000050215  -0.000044952
 O     -1.026024     -1.769091      1.305739    0.00   0.003052428  -0.000391511  -0.000026369
 C     -2.072635     -1.574949     -1.463675    0.00  -0.000346169  -0.001271959   0.000166811
 H     -2.279273     -2.524244     -0.949617    0.00  -0.000007259  -0.000186649   0.000060943
 H     -2.906033     -1.379422     -2.146574    0.00   0.000007975  -0.000112481   0.000123620
 H     -1.168930     -1.722556     -2.071077    0.00  -0.000010356   0.000004175   0.000000030
 H     -0.190858     -2.333211      1.562860    0.00   0.000866876  -0.000502972   0.001001267
 O      0.623045     -0.735777      0.080846    0.00  -0.016137745   0.003246948  -0.012859141
 O      1.266627     -1.760434     -0.895876    0.00   0.007331246   0.000812401   0.003759578
 C      1.527336     -2.892894     -0.243778    0.00  -0.001316068   0.000499447   0.001927836
 H      2.163382     -3.558893     -0.836765    0.00   0.000607380   0.000320462  -0.000529966
 O      1.089814     -3.163538      0.870284    0.00  -0.002599331  -0.001088816  -0.001452078
26
 Energy =      -0.180438683561
 C     -0.033579      1.870111      0.461811    0.00  -0.000301778   0.000804237   0.001244786
 C     -1.410826      2.046669     -0.186761    0.00   0.000644330   0.000240082  -0.000358524
 C     -1.703242      0.910624     -1.171796    0.00   0.000224373   0.000218610  -0.000148801
 C     -1.896838     -0.435762     -0.457887    0.00  -0.001019615  -0.001663862  -0.000689220
 C     -0.703166     -0.762306      0.438088    0.00   0.005170393  -0.008358920  -0.000931567
 C      0.056520      0.589169      1.264758    0.00   0.001867139   0.007151666   0.006051882
 H     -2.608801      1.143876     -1.763954    0.00  -0.000012499   0.000037041   0.000061032
 H     -2.198625      2.098253      0.589270    0.00   0.000058424   0.000046488  -0.000030853
 H     -1.449487      3.017993     -0.717778    0.00   0.000025530  -0.000001795  -0.000047263
 H      0.753177      1.874614     -0.323616    0.00  -0.000231354   0.000043723   0.000192725
 H      0.190878      2.735006      1.119376    0.00  -0.000123777   0.000030163   0.000085191
 H     -2.803959     -0.384615      0.199772    0.00  -0.000160699  -0.000180624  -0.000016429
 H     -0.625737      0.537000      2.131770    0.00   0.000564771  -0.000723632   0.000303455
 H      1.075801      0.409383      1.661811    0.00  -0.000313756   0.001028784  -0.000015394
 H     -0.874580      0.827034     -1.906098    0.00   0.000074611   0.000033826  -0.000027529
 O     -1.024926     -1.771434      1.305578    0.00   0.002277099  -0.000145713   0.000340763
 C     -2.073731     -1.575207     -1.464664    0.00  -0.000215176  -0.000833463   0.000117362
 H     -2.280678     -2.525171     -0.951800    0.00  -0.000001735  -0.000129332   0.000044449
 H     -2.906150     -1.379820     -2.148833    0.00   0.000005903  -0.000072986   0.000085526
 H     -1.168818     -1.722440     -2.071133    0.00  -0.000004061   0.000005522   0.000002215
 H     -0.179452     -2.345662      1.548379    0.00   0.000646012  -0.000353197   0.000845071
 O      0.612027     -0.723595      0.091270    0.00  -0.012577789   0.003073069  -0.009848037
 O      1.272022     -1.765629     -0.897962    0.00   0.005840133   0.000025930   0.002852167
 C      1.528303     -2.890775     -0.245812    0.00  -0.001009357   0.000261109   0.001551655
 H      2.166445     -3.565873     -0.826490    0.00   0.000489969   0.000247154  -0.000420019
 O      1.087229     -3.162234      0.870802    0.00  -0.001917091  -0.000783881  -0.001244646
26
 Energy =      -0.179265032889
 C     -0.031944      1.871499      0.460914    0.00  -0.000153643   0.000394735   0.000625921
 C     -1.410385      2.045852     -0.186017    0.00   0.000322585   0.000116566  -0.000180996
 C     -1.702956      0.910431     -1.171397    0.00   0.000107721   0.000117273  -0.000062331
 C     -1.899931     -0.435695     -0.458558    0.00  -0.000579308  -0.000863464  -0.000335811
 C     -0.709648     -0.775868      0.432554    0.00   0.002905618  -0.004702341  -0.000519226
 C      0.070846      0.593551      1.263626    0.00   0.001001488   0.003911958   0.003365282
 H     -2.607835      1.144624     -1.764551    0.00  -0.000007120   0.000018184   0.000031809
 H     -2.197829      2.097595      0.590300    0.00   0.000026965   0.000022586  -0.000014600
 H     -1.449759      3.017419     -0.717049    0.00   0.000012500  -0.000000357  -0.000022808
 H      0.753557      1.879361     -0.326424    0.00  -0.000122673   0.000021247   0.000102346
 H      0.191024      2.737564      1.118140    0.00  -0.000062691   0.000018082   0.000039697
 H     -2.807880     -0.383535      0.197905    0.00  -0.000092682  -0.000097520  -0.000005212
 H     -0.625631      0.523196      2.118406    0.00   0.000314979  -0.000420191   0.000124390
 H      1.085733      0.423624      1.672641    0.00  -0.000166294   0.000611198  -0.000025657
 H     -0.873693      0.825978     -1.905261    0.00   0.000038532   0.000016773  -0.000012919
 O     -1.023642     -1.773568      1.305159    0.00   0.001515478   0.000100651   0.000388371
 C     -2.074678     -1.575447     -1.465533    0.00  -0.000099271  -0.000402664   0.000064215
 H     -2.281907     -2.526075     -0.953844    0.00   0.000000987  -0.000065474   0.000024113
 H     -2.906218     -1.380173     -2.150854    0.00   0.000003218  -0.000035158   0.000043694
 H     -1.168628     -1.722336     -2.071229    0.00  -0.000000727   0.000003864   0.000001695
 H     -0.166007     -2.357992      1.533809    0.00   0.000189981  -0.000274384   0.000505083
 O      0.601397     -0.710991      0.101960    0.00  -0.007197212   0.001952473  -0.005597884
 O      1.277101     -1.771274     -0.900335    0.00   0.003390921  -0.000253075   0.001607224
 C      1.529246     -2.888763     -0.248067    0.00  -0.000594491   0.000115645   0.000793617
 H      2.169378     -3.573036     -0.815984    0.00   0.000310361   0.000136971  -0.000235286
 O      1.084631     -3.160995      0.871492    0.00  -0.001065221  -0.000443578  -0.000704727
26
 Energy =       -0.17883584722
 C      0.013107      1.817808      0.479407    0.00  -0.000008235   0.000007283  -0.000002528
 C     -1.366323      1.990282     -0.166132    0.00  -0.000001286   0.000000094   0.000000822
 C     -1.659020      0.855419     -1.151817    0.00   0.000001866   0.000000153   0.000001163
 C     -1.858875     -0.490377     -0.439917    0.00   0.000000426   0.000002035  -0.000000929
 C     -0.672657     -0.844190      0.446852    0.00  -0.000021872  -0.000009923   0.000009355
 C      0.128005      0.542325      1.281541    0.00  -0.000040957  -0.000001138  -0.000019251
 H     -2.563364      1.090367     -1.745803    0.00  -0.000000804   0.000000707   0.000000821
 H     -2.153518      2.042292      0.610361    0.00   0.000001938   0.000000516  -0.000000677
 H     -1.406197      2.962066     -0.697217    0.00  -0.000001126  -0.000000834  -0.000001270
 H      0.797545      1.828630     -0.309642    0.00   0.000000380  -0.000001134   0.000000402
 H      0.234776      2.684819      1.136387    0.00   0.000000482   0.000000992   0.000001396
 H     -2.767706     -0.437344      0.215398    0.00  -0.000001754   0.000000234   0.000001001
 H     -0.581529      0.455042      2.124239    0.00  -0.000003450   0.000013227  -0.000003778
 H      1.138279      0.383230      1.702994    0.00   0.000005994   0.000008039  -0.000000804
 H     -0.829234      0.770240     -1.885351    0.00   0.000001693   0.000000187  -0.000001220
 O     -0.978419     -1.830054      1.323526    0.00   0.000025340  -0.000013437  -0.000009080
 C     -2.031740     -1.630533     -1.446994    0.00   0.000000305   0.000000453   0.000000113
 H     -2.239361     -2.581758     -0.936421    0.00   0.000000503   0.000000803   0.000000575
 H     -2.862510     -1.435248     -2.133315    0.00   0.000000306  -0.000000376  -0.000000742
 H     -1.124678     -1.777150     -2.052106    0.00  -0.000000983  -0.000000400   0.000000218
 H     -0.103036     -2.426589      1.536470    0.00  -0.000004833   0.000010215  -0.000001639
 O      0.635243     -0.752652      0.132236    0.00   0.000036029  -0.000017791   0.000019937
 O      1.325274     -1.832351     -0.883779    0.00  -0.000002796   0.000007886   0.000012360
 C      1.573883     -2.941514     -0.231481    0.00   0.000014960  -0.000008156  -0.000005390
 H      2.216206     -3.635064     -0.785366    0.00  -0.000000287  -0.000004658  -0.000000576
 O      1.125525     -3.214772      0.891860    0.00  -0.000001838   0.000005025  -0.000000280
26
 Energy =      -0.179329107244
 C     -0.029218      1.873851      0.459384    0.00   0.000188860  -0.000422010  -0.000615881
 C     -1.409637      2.044447     -0.184763    0.00  -0.000333499  -0.000121013   0.000181428
 C     -1.702461      0.910142     -1.170752    0.00  -0.000103886  -0.000107534   0.000065533
 C     -1.905197     -0.435323     -0.459791    0.00   0.000554477   0.000782133   0.000312076
 C     -0.723042     -0.802777      0.422635    0.00  -0.003326581   0.005609367   0.001240998
 C      0.097788      0.600833      1.260942    0.00  -0.001459776  -0.004007593  -0.003531706
 H     -2.606269      1.145844     -1.765569    0.00   0.000005882  -0.000017165  -0.000030600
 H     -2.196585      2.096724      0.591906    0.00  -0.000022646  -0.000022834   0.000013256
 H     -1.450012      3.016449     -0.715899    0.00  -0.000014739  -0.000001564   0.000019531
 H      0.754157      1.887634     -0.331374    0.00   0.000117791  -0.000019929  -0.000096530
 H      0.191150      2.741809      1.116119    0.00   0.000062020  -0.000007542  -0.000046292
 H     -2.814908     -0.381417      0.194377    0.00   0.000086618   0.000096395   0.000005177
 H     -0.624805      0.496623      2.091558    0.00  -0.000369563   0.000406063  -0.000426175
 H      1.103449      0.452570      1.694832    0.00   0.000312577  -0.000596810   0.000061855
 H     -0.872153      0.824237     -1.903957    0.00  -0.000038215  -0.000017649   0.000008978
 O     -1.020573     -1.776804      1.303379    0.00  -0.000636287   0.000251824  -0.000829354
 C     -2.076179     -1.575885     -1.466970    0.00   0.000079999   0.000399942  -0.000056971
 H     -2.284191     -2.527707     -0.957512    0.00   0.000001437   0.000076729  -0.000023933
 H     -2.906179     -1.380590     -2.154290    0.00  -0.000000651   0.000033107  -0.000046587
 H     -1.168104     -1.722229     -2.071498    0.00  -0.000003250  -0.000004071  -0.000013302
 H     -0.127442     -2.385451      1.500615    0.00  -0.001115545  -0.000159553  -0.000876165
 O      0.581712     -0.684577      0.123997    0.00   0.008548833  -0.003269086   0.006177721
 O      1.286070     -1.783695     -0.905737    0.00  -0.004132774   0.000854087  -0.001758415
 C      1.531144     -2.884532     -0.253409    0.00   0.000641402   0.000028168  -0.001607889
 H      2.175659     -3.587358     -0.793264    0.00  -0.000254398  -0.000215429   0.000360565
 O      1.079043     -3.158814      0.873713    0.00   0.001211912   0.000451969   0.001512684
26
 Energy =      -0.180917110266
 C     -0.028060      1.874877      0.458721    0.00   0.000390114  -0.000826267  -0.001224642
 C     -1.409312      2.043836     -0.184226    0.00  -0.000652489  -0.000233898   0.000354889
 C     -1.702245      0.910029     -1.170492    0.00  -0.000198373  -0.000215988   0.000101738
 C     -1.907428     -0.435059     -0.460370    0.00   0.001177651   0.001572143   0.000556365
 C     -0.729965     -0.816014      0.418384    0.00  -0.007026624   0.011818833   0.002853999
 C      0.110381      0.603728      1.259374    0.00  -0.003111212  -0.008182735  -0.007531200
 H     -2.605621      1.146359     -1.766004    0.00   0.000013818  -0.000035190  -0.000061977
 H     -2.196076      2.096413      0.592557    0.00  -0.000045947  -0.000044139   0.000025954
 H     -1.450053      3.016029     -0.715430    0.00  -0.000028723  -0.000003175   0.000039046
 H      0.754383      1.891257     -0.333576    0.00   0.000243351  -0.000035439  -0.000198043
 H      0.191150      2.743578      1.115271    0.00   0.000121466  -0.000017198  -0.000085737
 H     -2.818059     -0.380401      0.192692    0.00   0.000189753   0.000200018   0.000000462
 H     -0.623840      0.484194      2.078393    0.00  -0.000765193   0.000856661  -0.000755152
 H      1.111292      0.467009      1.705781    0.00   0.000638278  -0.001309721   0.000147169
 H     -0.871467      0.823513     -1.903423    0.00  -0.000076355  -0.000036032   0.000020070
 O     -1.018866     -1.777937      1.302035    0.00  -0.001582994   0.000299410  -0.002217147
 C     -2.076792     -1.576091     -1.467592    0.00   0.000145175   0.000784597  -0.000137910
 H     -2.285294     -2.528426     -0.959163    0.00   0.000005092   0.000150925  -0.000047244
 H     -2.906117     -1.380692     -2.155769    0.00  -0.000001536   0.000063194  -0.000091659
 H     -1.167831     -1.722190     -2.071683    0.00  -0.000001597  -0.000006567  -0.000022649
 H     -0.101324     -2.401167      1.481543    0.00  -0.002402330  -0.000321909  -0.002145979
 O      0.572667     -0.670992      0.135165    0.00   0.018385263  -0.007349913   0.013227621
 O      1.290043     -1.790295     -0.908648    0.00  -0.008970862   0.002239809  -0.003716526
 C      1.532102     -2.882259     -0.256488    0.00   0.001558362   0.000118916  -0.003432085
 H      2.178981     -3.594450     -0.781030    0.00  -0.000620467  -0.000479090   0.000790732
 O      1.076004     -3.157867      0.875279    0.00   0.002616377   0.000992752   0.003549902
26
 Energy =      -0.183759743627
 C     -0.026995      1.875872      0.458110    0.00   0.000615589  -0.001222395  -0.001816225
 C     -1.409013      2.043276     -0.183731    0.00  -0.000954043  -0.000344082   0.000516982
 C     -1.702042      0.909931     -1.170274    0.00  -0.000285074  -0.000309070   0.000118312
 C     -1.909449     -0.434772     -0.460954    0.00   0.001776758   0.002296253   0.000685977
 C     -0.737012     -0.829012      0.414685    0.00  -0.010991323   0.018421683   0.005313167
 C      0.122355      0.606258      1.257747    0.00  -0.005036723  -0.012167532  -0.011652235
 H     -2.605006      1.146872     -1.766413    0.00   0.000022606  -0.000053916  -0.000091962
 H     -2.195598      2.096079      0.593168    0.00  -0.000071497  -0.000063305   0.000038771
 H     -1.450112      3.015646     -0.714985    0.00  -0.000042576  -0.000005145   0.000058240
 H      0.754539      1.894616     -0.335653    0.00   0.000365448  -0.000045827  -0.000293837
 H      0.191135      2.745220      1.114461    0.00   0.000179054  -0.000022791  -0.000121807
 H     -2.820992     -0.379389      0.191038    0.00   0.000290394   0.000300836  -0.000012104
 H     -0.622454      0.472592      2.065775    0.00  -0.001167210   0.001287937  -0.001127245
 H      1.118496      0.481181      1.716370    0.00   0.001010599  -0.002030027   0.000241761
 H     -0.870807      0.822841     -1.902902    0.00  -0.000111355  -0.000056704   0.000031008
 O     -1.017154     -1.778748      1.300401    0.00  -0.002087812   0.000348045  -0.004233900
 C     -2.077352     -1.576290     -1.468189    0.00   0.000204475   0.001178021  -0.000242213
 H     -2.286354     -2.529061     -0.960673    0.00   0.000015730   0.000223020  -0.000064474
 H     -2.906073     -1.380793     -2.157124    0.00  -0.000001461   0.000092353  -0.000133211
 H     -1.167611     -1.722104     -2.071900    0.00   0.000006696  -0.000005307  -0.000032739
 H     -0.069029     -2.419150      1.460798    0.00  -0.004277448  -0.000688948  -0.004005306
 O      0.564131     -0.657450      0.146222    0.00   0.029029219  -0.012331707   0.020615840
 O      1.293769     -1.797004     -0.911612    0.00  -0.014355657   0.004124075  -0.005753197
 C      1.533053     -2.879856     -0.259873    0.00   0.002811312   0.000330991  -0.005819975
 H      2.182266     -3.601535     -0.768222    0.00  -0.001041901  -0.000812662   0.001322487
 O      1.072787     -3.157022      0.877200    0.00   0.004096199   0.001556205   0.006457882
26
 Energy =       -0.18801258474
 C     -0.026022      1.876822      0.457548    0.00   0.000863983  -0.001610408  -0.002382716
 C     -1.408737      2.042769     -0.183282    0.00  -0.001227152  -0.000449714   0.000658837
 C     -1.701854      0.909842     -1.170094    0.00  -0.000364913  -0.000376681   0.000112175
 C     -1.911238     -0.434478     -0.461560    0.00   0.002300879   0.002956380   0.000652958
 C     -0.744140     -0.841673      0.411670    0.00  -0.015066822   0.025097601   0.008734409
 C      0.133601      0.608379      1.256069    0.00  -0.007108651  -0.015791905  -0.015667611
 H     -2.604433      1.147375     -1.766780    0.00   0.000033938  -0.000075141  -0.000119520
 H     -2.195147      2.095724      0.593735    0.00  -0.000103848  -0.000080219   0.000052637
 H     -1.450167      3.015293     -0.714567    0.00  -0.000055766  -0.000006899   0.000078279
 H      0.754619      1.897700     -0.337590    0.00   0.000482281  -0.000048084  -0.000380607
 H      0.191081      2.746702      1.113707    0.00   0.000232617  -0.000022957  -0.000153005
 H     -2.823654     -0.378410      0.189425    0.00   0.000383541   0.000391332  -0.000036483
 H     -0.620731      0.461913      2.053855    0.00  -0.001547586   0.001660056  -0.001511295
 H      1.125015      0.494856      1.726390    0.00   0.001402035  -0.002717128   0.000335110
 H     -0.870193      0.822244     -1.902392    0.00  -0.000142237  -0.000079990   0.000044914
 O     -1.015532     -1.779123      1.298481    0.00  -0.001672352   0.000530946  -0.006751806
 C     -2.077868     -1.576479     -1.468773    0.00   0.000271466   0.001600506  -0.000383164
 H     -2.287392     -2.529582     -0.962017    0.00   0.000037252   0.000286609  -0.000071805
 H     -2.906052     -1.380893     -2.158359    0.00  -0.000002084   0.000123382  -0.000169148
 H     -1.167473     -1.721969     -2.072130    0.00   0.000026623   0.000001226  -0.000039392
 H     -0.029663     -2.440069      1.438161    0.00  -0.006962548  -0.001378579  -0.006512098
 O      0.556187     -0.644094      0.157043    0.00   0.039919337  -0.017937233   0.027941527
 O      1.297222     -1.803744     -0.914592    0.00  -0.020043918   0.006380340  -0.007799856
 C      1.534001     -2.877281     -0.263579    0.00   0.004427591   0.000688427  -0.008885865
 H      2.185527     -3.608569     -0.754800    0.00  -0.001506660  -0.001211189   0.001964498
 O      1.069423     -3.156328      0.879498    0.00   0.005422993   0.002069320   0.010289026
26
 Energy =       -0.19379904157
 C     -0.025128      1.877727      0.457029    0.00   0.001130483  -0.001989056  -0.002919895
 C     -1.408482      2.042313     -0.182877    0.00  -0.001463314  -0.000550321   0.000775242
 C     -1.701683      0.909761     -1.169954    0.00  -0.000442381  -0.000415500   0.000083049
 C     -1.912795     -0.434200     -0.462208    0.00   0.002691918   0.003577719   0.000420511
 C     -0.751303     -0.853929      0.409414    0.00  -0.019041950   0.031415919   0.013046134
 C      0.144064      0.610127      1.254388    0.00  -0.009159011  -0.018910786  -0.019306729
 H     -2.603899      1.147874     -1.767096    0.00   0.000047850  -0.000099542  -0.000143047
 H     -2.194714      2.095324      0.594269    0.00  -0.000145998  -0.000094498   0.000068116
 H     -1.450226      3.014962     -0.714167    0.00  -0.000067995  -0.000008006   0.000100020
 H      0.754614      1.900521     -0.339389    0.00   0.000592050  -0.000040737  -0.000454538
 H      0.190984      2.748030      1.113008    0.00   0.000281784  -0.000016912  -0.000178084
 H     -2.826014     -0.377468      0.187857    0.00   0.000464385   0.000464641  -0.000075784
 H     -0.618729      0.452257      2.042785    0.00  -0.001874731   0.001935608  -0.001877837
 H      1.130861      0.507860      1.735691    0.00   0.001780530  -0.003322634   0.000410312
 H     -0.869631      0.821722     -1.901877    0.00  -0.000167309  -0.000106365   0.000063138
 O     -1.014160     -1.778963      1.296309    0.00   0.000115515   0.001003741  -0.009416968
 C     -2.078355     -1.576657     -1.469361    0.00   0.000363329   0.002075128  -0.000570295
 H     -2.288412     -2.529967     -0.963174    0.00   0.000071880   0.000336766  -0.000066936
 H     -2.906065     -1.381011     -2.159488    0.00  -0.000005030   0.000159845  -0.000198017
 H     -1.167452     -1.721773     -2.072358    0.00   0.000061286   0.000014553  -0.000039538
 H      0.017113     -2.464219      1.414059    0.00  -0.010338531  -0.002431510  -0.009433248
 O      0.548875     -0.631088      0.167501    0.00   0.050336647  -0.023748042   0.034721567
 O      1.300412     -1.810411     -0.917548    0.00  -0.025617486   0.008803483  -0.009784857
 C      1.534960     -2.874538     -0.267622    0.00   0.006267700   0.001181926  -0.012570475
 H      2.188702     -3.615553     -0.740813    0.00  -0.001993123  -0.001647496   0.002696570
 O      1.066008     -3.155853      0.882155    0.00   0.006111503   0.002412076   0.014651588
26
 Energy =      -0.201102383296
 C     -0.024293      1.878609      0.456540    0.00   0.001412956  -0.002363819  -0.003427348
 C     -1.408243      2.041898     -0.182505    0.00  -0.001663456  -0.000646328   0.000867621
 C     -1.701522      0.909681     -1.169847    0.00  -0.000526741  -0.000434956   0.000035484
 C     -1.914155     -0.433963     -0.462927    0.00   0.002898714   0.004215344   0.000005103
 C     -0.758494     -0.865818      0.407882    0.00  -0.022518186   0.036804239   0.017666812
 C      0.153828      0.611577      1.252737    0.00  -0.010977953  -0.021408453  -0.022286848
 H     -2.603391      1.148377     -1.767361    0.00   0.000062950  -0.000125784  -0.000161223
 H     -2.194282      2.094859      0.594786    0.00  -0.000198121  -0.000106586   0.000085164
 H     -1.450297      3.014644     -0.713775    0.00  -0.000078490  -0.000007833   0.000123723
 H      0.754518      1.903137     -0.341082    0.00   0.000693815  -0.000025221  -0.000514030
 H      0.190840      2.749241      1.112349    0.00   0.000328285  -0.000005644  -0.000197435
 H     -2.828088     -0.376544      0.186312    0.00   0.000533516   0.000518713  -0.000130198
 H     -0.616450      0.443619      2.032574    0.00  -0.002112864   0.002066505  -0.002196597
 H      1.136152      0.520201      1.744261    0.00   0.002109549  -0.003804427   0.000447186
 H     -0.869110      0.821268     -1.901339    0.00  -0.000186230  -0.000136009   0.000083901
 O     -1.013194     -1.778234      1.293948    0.00   0.003238679   0.001897456  -0.011535850
 C     -2.078837     -1.576824     -1.469975    0.00   0.000493231   0.002618425  -0.000800766
 H     -2.289430     -2.530217     -0.964162    0.00   0.000116887   0.000374417  -0.000052646
 H     -2.906125     -1.381168     -2.160548    0.00  -0.000011197   0.000205778  -0.000221179
 H     -1.167562     -1.721512     -2.072579    0.00   0.000107672   0.000035637  -0.000034974
 H      0.070091     -2.491013      1.389622    0.00  -0.013547521  -0.003712599  -0.011954869
 O      0.542130     -0.618451      0.177584    0.00   0.059422428  -0.029179814   0.040420931
 O      1.303377     -1.816949     -0.920483    0.00  -0.030372946   0.011112195  -0.011629984
 C      1.535975     -2.871682     -0.271990    0.00   0.007828434   0.001722527  -0.016439726
 H      2.191747     -3.622533     -0.726311    0.00  -0.002452551  -0.002061121   0.003436466
 O      1.062710     -3.155689      0.885085    0.00   0.005399139   0.002447357   0.018411281
26
 Energy =      -0.209591443549
 C     -0.023468      1.879512      0.456061    0.00   0.001717651  -0.002748191  -0.003909635
 C     -1.408007      2.041504     -0.182149    0.00  -0.001842865  -0.000739275   0.000946849
 C     -1.701361      0.909595     -1.169762    0.00  -0.000630732  -0.000460237  -0.000021996
 C     -1.915397     -0.433791     -0.463759    0.00   0.002900929   0.004937990  -0.000497541
 C     -0.765801     -0.877544      0.406900    0.00  -0.024851683   0.040623102   0.021387331
 C      0.163202      0.612839      1.251112    0.00  -0.012353632  -0.023209902  -0.024376349
 H     -2.602891      1.148900     -1.767586    0.00   0.000076174  -0.000150106  -0.000174011
 H     -2.193827      2.094303      0.595314    0.00  -0.000256140  -0.000118055   0.000103075
 H     -1.450387      3.014326     -0.713370    0.00  -0.000085783  -0.000005393   0.000148882
 H      0.754331      1.905674     -0.342738    0.00   0.000787767  -0.000007195  -0.000561798
 H      0.190642      2.750406      1.111697    0.00   0.000376309   0.000007178  -0.000213767
 H     -2.829975     -0.375589      0.184717    0.00   0.000599038   0.000560767  -0.000194380
 H     -0.613782      0.435856      2.023027    0.00  -0.002227403   0.001996824  -0.002438549
 H      1.141147      0.532197      1.752292    0.00   0.002355516  -0.004136357   0.000424494
 H     -0.868602      0.820862     -1.900759    0.00  -0.000200667  -0.000168453   0.000100845
 O     -1.012734     -1.777005      1.291478    0.00   0.006699124   0.003196610  -0.012218024
 C     -2.079348     -1.576987     -1.470653    0.00   0.000662075   0.003231115  -0.001054762
 H     -2.290485     -2.530357     -0.965047    0.00   0.000162773   0.000409702  -0.000038445
 H     -2.906246     -1.381387     -2.161611    0.00  -0.000019651   0.000264278  -0.000243574
 H     -1.167803     -1.721186     -2.072814    0.00   0.000154220   0.000064967  -0.000034859
 H      0.126226     -2.518610      1.366657    0.00  -0.015014616  -0.004877103  -0.012795303
 O      0.535728     -0.605909      0.187518    0.00   0.066360022  -0.033577513   0.044594959
 O      1.306195     -1.823395     -0.923477    0.00  -0.033418421   0.013027400  -0.013267856
 C      1.537132     -2.868819     -0.276663    0.00   0.008251555   0.002123359  -0.019594893
 H      2.194688     -3.629645     -0.711228    0.00  -0.002809192  -0.002368372   0.004028215
 O      1.059754     -3.155954      0.888132    0.00   0.002607633   0.002122859   0.019901092
26
 Energy =      -0.218584631176
 C     -0.022592      1.880511      0.455557    0.00   0.002059720  -0.003158741  -0.004373717
 C     -1.407755      2.041096     -0.181776    0.00  -0.002025917  -0.000831457   0.001029271
 C     -1.701176      0.909495     -1.169687    0.00  -0.000765140  -0.000520810  -0.000082301
 C     -1.916638     -0.433718     -0.464763    0.00   0.002719490   0.005789103  -0.000944262
 C     -0.773402     -0.889419      0.406170    0.00  -0.025326758   0.042361978   0.022821122
 C      0.172672      0.614036      1.249474    0.00  -0.013098468  -0.024302524  -0.025430798
 H     -2.602368      1.149458     -1.767789    0.00   0.000083686  -0.000168574  -0.000183409
 H     -2.193312      2.093624      0.595897    0.00  -0.000313406  -0.000131012   0.000121116
 H     -1.450517      3.013988     -0.712928    0.00  -0.000088393   0.000000806   0.000174928
 H      0.754056      1.908326     -0.344469    0.00   0.000874311   0.000004802  -0.000603545
 H      0.190382      2.751641      1.111004    0.00   0.000430721   0.000015856  -0.000231323
 H     -2.831843     -0.374515      0.182951    0.00   0.000669374   0.000604360  -0.000257436
 H     -0.610449      0.428811      2.013859    0.00  -0.002193952   0.001681917  -0.002573366
 H      1.146223      0.544438      1.760098    0.00   0.002495028  -0.004308273   0.000322488
 H     -0.868050      0.820482     -1.900118    0.00  -0.000213202  -0.000202206   0.000106144
 O     -1.012830     -1.775468      1.288994    0.00   0.008863251   0.004722287  -0.010788302
 C     -2.079938     -1.577159     -1.471448    0.00   0.000855641   0.003901840  -0.001306527
 H     -2.291646     -2.530439     -0.965943    0.00   0.000196752   0.000458119  -0.000037105
 H     -2.906446     -1.381692     -2.162791    0.00  -0.000027967   0.000335466  -0.000271571
 H     -1.168159     -1.720811     -2.073120    0.00   0.000185863   0.000103321  -0.000050285
 H      0.181051     -2.544004      1.347609    0.00  -0.013594424  -0.005592464  -0.011148915
 O      0.529318     -0.592924      0.197742    0.00   0.070560790  -0.036385032   0.047004767
 O      1.308962     -1.829880     -0.926697    0.00  -0.034053010   0.014370362  -0.014632925
 C      1.538566     -2.866133     -0.281601    0.00   0.006775956   0.002177903  -0.021004037
 H      2.197642     -3.637086     -0.695406    0.00  -0.002987486  -0.002496959   0.004290109
 O      1.057401     -3.156809      0.891096    0.00  -0.002082459   0.001569934   0.018049878
26
 Energy =      -0.227351744458
 C     -0.021588      1.881705      0.454991    0.00   0.002455211  -0.003605008  -0.004821803
 C     -1.407464      2.040636     -0.181354    0.00  -0.002230387  -0.000924664   0.001126455
 C     -1.700942      0.909369     -1.169606    0.00  -0.000930241  -0.000627302  -0.000146075
 C     -1.918008     -0.433791     -0.466013    0.00   0.002407794   0.006752599  -0.001226995
 C     -0.781420     -0.901568      0.405299    0.00  -0.023605899   0.041854507   0.021348558
 C      0.182694      0.615304      1.247798    0.00  -0.013042504  -0.024765180  -0.025378753
 H     -2.601783      1.150070     -1.767997    0.00   0.000082978  -0.000180962  -0.000193405
 H     -2.192696      2.092778      0.596585    0.00  -0.000364996  -0.000146746   0.000139198
 H     -1.450716      3.013608     -0.712416    0.00  -0.000086288   0.000012659   0.000202407
 H      0.753701      1.911312     -0.346391    0.00   0.000952171   0.000003135  -0.000642414
 H      0.190046      2.753088      1.110212    0.00   0.000493807   0.000015129  -0.000253911
 H     -2.833892     -0.373236      0.180869    0.00   0.000739012   0.000658062  -0.000307215
 H     -0.606053      0.422543      2.004994    0.00  -0.002010714   0.001120549  -0.002568647
 H      1.151789      0.557505      1.767887    0.00   0.002516848  -0.004316708   0.000126850
 H     -0.867385      0.820103     -1.899398    0.00  -0.000224992  -0.000234605   0.000097629
 O     -1.013517     -1.773961      1.286669    0.00   0.008642131   0.006245053  -0.007302435
 C     -2.080669     -1.577360     -1.472433    0.00   0.001048109   0.004620475  -0.001545079
 H     -2.292999     -2.530533     -0.967009    0.00   0.000210518   0.000529534  -0.000057208
 H     -2.906757     -1.382113     -2.164230    0.00  -0.000033925   0.000414728  -0.000308865
 H     -1.168617     -1.720410     -2.073584    0.00   0.000194679   0.000151998  -0.000082611
 H      0.229633     -2.563653      1.335264    0.00  -0.010001214  -0.005822859  -0.007781420
 O      0.522558     -0.578963      0.208693    0.00   0.071714442  -0.037279162   0.047598353
 O      1.311726     -1.836485     -0.930341    0.00  -0.032247653   0.015087610  -0.015578983
 C      1.540434     -2.863924     -0.286657    0.00   0.003452614   0.001805064  -0.020150554
 H      2.200780     -3.644945     -0.678932    0.00  -0.002953788  -0.002424480   0.004117892
 O      1.055923     -3.158401      0.893731    0.00  -0.007177710   0.001056574   0.013589030
26
 Energy =       -0.23548985794
 C     -0.020402      1.883191      0.454341    0.00   0.002907873  -0.004078349  -0.005240963
 C     -1.407118      2.040090     -0.180852    0.00  -0.002452690  -0.001018133   0.001236417
 C     -1.700629      0.909209     -1.169511    0.00  -0.001111569  -0.000756487  -0.000219374
 C     -1.919613     -0.434075     -0.467566    0.00   0.002035067   0.007743610  -0.001344113
 C     -0.789735     -0.913657      0.403905    0.00  -0.020203618   0.039408389   0.017847471
 C      0.193405      0.616793      1.246154    0.00  -0.012072315  -0.024785313  -0.024242126
 H     -2.601094      1.150744     -1.768235    0.00   0.000075651  -0.000191435  -0.000208541
 H     -2.191939      2.091728      0.597430    0.00  -0.000411111  -0.000164539   0.000157763
 H     -1.451028      3.013164     -0.711812    0.00  -0.000080992   0.000031665   0.000232865
 H      0.753286      1.914801     -0.348575    0.00   0.001016508  -0.000014784  -0.000674796
 H      0.189634      2.754885      1.109274    0.00   0.000563727   0.000002806  -0.000283319
 H     -2.836275     -0.371729      0.178372    0.00   0.000784752   0.000717025  -0.000336626
 H     -0.600229      0.417474      1.996849    0.00  -0.001712360   0.000384064  -0.002409820
 H      1.158138      0.571587      1.775481    0.00   0.002423850  -0.004169697  -0.000160281
 H     -0.866549      0.819716     -1.898593    0.00  -0.000235424  -0.000262677   0.000081855
 O     -1.014808     -1.772927      1.284751    0.00   0.006418038   0.007571983  -0.002836447
 C     -2.081600     -1.577612     -1.473680    0.00   0.001211895   0.005379888  -0.001781594
 H     -2.294611     -2.530724     -0.968409    0.00   0.000206008   0.000618795  -0.000096679
 H     -2.907205     -1.382673     -2.166058    0.00  -0.000036171   0.000493838  -0.000353501
 H     -1.169177     -1.720039     -2.074292    0.00   0.000185486   0.000210871  -0.000119913
 H      0.269003     -2.575300      1.331117    0.00  -0.006294791  -0.005769772  -0.004553907
 O      0.515313     -0.563942      0.220473    0.00   0.069878145  -0.036266744   0.046492456
 O      1.314434     -1.843110     -0.934492    0.00  -0.028866512   0.015218542  -0.015843314
 C      1.542826     -2.862568     -0.291492    0.00  -0.000607667   0.001136293  -0.017544278
 H      2.204239     -3.653013     -0.662537    0.00  -0.002743083  -0.002194705   0.003580100
 O      1.055456     -3.160733      0.895804    0.00  -0.010878698   0.000754867   0.008620664
26
 Energy =      -0.242913716552
 C     -0.019000      1.885048      0.453596    0.00   0.003407564  -0.004555446  -0.005602945
 C     -1.406702      2.039434     -0.180250    0.00  -0.002672697  -0.001107840   0.001347133
 C     -1.700216      0.909005     -1.169400    0.00  -0.001292579  -0.000869864  -0.000302142
 C     -1.921518     -0.434624     -0.469446    0.00   0.001654164   0.008644768  -0.001374671
 C     -0.798080     -0.925139      0.401840    0.00  -0.016202551   0.035629432   0.014026898
 C      0.204624      0.618695      1.244724    0.00  -0.010216288  -0.024589858  -0.022177217
 H     -2.600254      1.151489     -1.768528    0.00   0.000066888  -0.000204093  -0.000231396
 H     -2.191018      2.090441      0.598468    0.00  -0.000455893  -0.000182126   0.000177303
 H     -1.451508      3.012634     -0.711097    0.00  -0.000073441   0.000058001   0.000267312
 H      0.752850      1.918869     -0.351016    0.00   0.001059705  -0.000045777  -0.000694198
 H      0.189163      2.757154      1.108155    0.00   0.000637716  -0.000020042  -0.000320212
 H     -2.839043     -0.370076      0.175444    0.00   0.000785381   0.000770509  -0.000346493
 H     -0.592809      0.414151      1.990173    0.00  -0.001358369  -0.000409962  -0.002122652
 H      1.165439      0.586446      1.782375    0.00   0.002233374  -0.003899503  -0.000514796
 H     -0.865516      0.819316     -1.897703    0.00  -0.000244764  -0.000285072   0.000067133
 O     -1.016656     -1.772705      1.283406    0.00   0.003495526   0.008586872   0.001149597
 C     -2.082776     -1.577942     -1.475254    0.00   0.001333115   0.006164693  -0.002032007
 H     -2.296517     -2.531085     -0.970279    0.00   0.000192251   0.000710823  -0.000145147
 H     -2.907809     -1.383378     -2.168371    0.00  -0.000033297   0.000566155  -0.000399735
 H     -1.169870     -1.719753     -2.075304    0.00   0.000168396   0.000276660  -0.000150127
 H      0.300324     -2.579522      1.333822    0.00  -0.003713285  -0.005579626  -0.002548031
 O      0.507658     -0.548242      0.232835    0.00   0.065544043  -0.033655666   0.043995717
 O      1.316978     -1.849592     -0.939067    0.00  -0.025107305   0.014861868  -0.015236908
 C      1.545706     -2.862273     -0.295770    0.00  -0.004125378   0.000409250  -0.014350322
 H      2.208066     -3.660899     -0.647247    0.00  -0.002432714  -0.001883100   0.002867611
 O      1.055882     -3.163620      0.897251    0.00  -0.012649563   0.000608945   0.004650295
26
 Energy =       -0.24962624767
 C     -0.017362      1.887359      0.452758    0.00   0.003940102  -0.005013722  -0.005875306
 C     -1.406205      2.038648     -0.179530    0.00  -0.002870811  -0.001187649   0.001447497
 C     -1.699688      0.908745     -1.169279    0.00  -0.001469456  -0.000944151  -0.000384814
 C     -1.923759     -0.435474     -0.471683    0.00   0.001278431   0.009354327  -0.001386665
 C     -0.806288     -0.935696      0.399267    0.00  -0.012399153   0.031064335   0.011037089
 C      0.216134      0.621269      1.243740    0.00  -0.007644559  -0.024322253  -0.019430345
 H     -2.599208      1.152336     -1.768909    0.00   0.000060601  -0.000219897  -0.000261536
 H     -2.189901      2.088860      0.599743    0.00  -0.000503062  -0.000197172   0.000198050
 H     -1.452227      3.011993     -0.710254    0.00  -0.000063049   0.000090806   0.000305697
 H      0.752437      1.923551     -0.353679    0.00   0.001074288  -0.000084195  -0.000696855
 H      0.188660      2.760030      1.106810    0.00   0.000715338  -0.000050827  -0.000366193
 H     -2.842190     -0.368425      0.172091    0.00   0.000738008   0.000813682  -0.000342487
 H     -0.583735      0.412968      1.985644    0.00  -0.000999513  -0.001161393  -0.001758392
 H      1.173867      0.601782      1.788031    0.00   0.001970766  -0.003550643  -0.000901911
 H     -0.864270      0.818885     -1.896710    0.00  -0.000255202  -0.000302280   0.000057120
 O     -1.018967     -1.773404      1.282595    0.00   0.000870684   0.009266053   0.003821808
 C     -2.084241     -1.578377     -1.477231    0.00   0.001415020   0.006943470  -0.002299437
 H     -2.298747     -2.531655     -0.972718    0.00   0.000177431   0.000793376  -0.000193097
 H     -2.908591     -1.384221     -2.171245    0.00  -0.000023680   0.000628444  -0.000442318
 H     -1.170745     -1.719607     -2.076664    0.00   0.000149449   0.000344615  -0.000170590
 H      0.326888     -2.578355      1.340563    0.00  -0.002207598  -0.005279573  -0.001647166
 O      0.499691     -0.532325      0.245473    0.00   0.059404086  -0.029851204   0.040513720
 O      1.319285     -1.855910     -0.943897    0.00  -0.021703534   0.014135663  -0.013818667
 C      1.548996     -2.862997     -0.299381    0.00  -0.006552788  -0.000205208  -0.011458373
 H      2.212251     -3.668344     -0.633740    0.00  -0.002091072  -0.001547325   0.002143425
 O      1.056979     -3.166856      0.898156    0.00  -0.013010725   0.000482722   0.001909744
26
 Energy =      -0.255625230179
 C     -0.015464      1.890229      0.451829    0.00   0.004487364  -0.005434628  -0.006029011
 C     -1.405612      2.037712     -0.178673    0.00  -0.003033419  -0.001250073   0.001531387
 C     -1.699035      0.908408     -1.169151    0.00  -0.001648663  -0.000976663  -0.000455197
 C     -1.926353     -0.436657     -0.474306    0.00   0.000897229   0.009799734  -0.001402123
 C     -0.814315     -0.945231      0.396540    0.00  -0.009052217   0.026110979   0.009146203
 C      0.227774      0.624831      1.243455    0.00  -0.004629942  -0.023998276  -0.016294320
 H     -2.597890      1.153332     -1.769416    0.00   0.000056849  -0.000237609  -0.000296346
 H     -2.188551      2.086893      0.601306    0.00  -0.000553708  -0.000207776   0.000219844
 H     -1.453278      3.011213     -0.709251    0.00  -0.000048896   0.000128771   0.000347407
 H      0.752095      1.928859     -0.356531    0.00   0.001055227  -0.000124238  -0.000682051
 H      0.188156      2.763702      1.105161    0.00   0.000796892  -0.000086232  -0.000423335
 H     -2.845706     -0.366942      0.168295    0.00   0.000653566   0.000848080  -0.000331075
 H     -0.572964      0.414168      1.983770    0.00  -0.000666847  -0.001806531  -0.001369681
 H      1.183670      0.617376      1.791970    0.00   0.001664948  -0.003162427  -0.001284816
 H     -0.862779      0.818393     -1.895581    0.00  -0.000269164  -0.000315236   0.000052059
 O     -1.021639     -1.774977      1.282138    0.00  -0.001102158   0.009641140   0.005115557
 C     -2.086047     -1.578951     -1.479704    0.00   0.001468446   0.007667583  -0.002574228
 H     -2.301351     -2.532460     -0.975818    0.00   0.000165957   0.000860250  -0.000235435
 H     -2.909585     -1.385185     -2.174769    0.00  -0.000005927   0.000677966  -0.000477603
 H     -1.171868     -1.719643     -2.078418    0.00   0.000130384   0.000410329  -0.000183823
 H      0.351415     -2.573533      1.348911    0.00  -0.001356898  -0.004868013  -0.001375996
 O      0.491452     -0.516589      0.258144    0.00   0.052150346  -0.025262150   0.036452405
 O      1.321331     -1.862159     -0.948815    0.00  -0.018846500   0.013149783  -0.011831532
 C      1.552651     -2.864593     -0.302400    0.00  -0.007963074  -0.000634457  -0.009200739
 H      2.216756     -3.675268     -0.622316    0.00  -0.001761982  -0.001218773   0.001492712
 O      1.058586     -3.170303      0.898640    0.00  -0.012587815   0.000288465   0.000089737
26
 Energy =      -0.260921797783
 C     -0.013286      1.893782      0.450824    0.00   0.005019966  -0.005797763  -0.006043788
 C     -1.404912      2.036598     -0.177655    0.00  -0.003150841  -0.001287174   0.001597138
 C     -1.698235      0.907963     -1.169017    0.00  -0.001837852  -0.000977453  -0.000504509
 C     -1.929297     -0.438207     -0.477345    0.00   0.000503031   0.009939890  -0.001412442
 C     -0.822168     -0.953679      0.394069    0.00  -0.006129098   0.021101532   0.008138192
 C      0.239414      0.629707      1.244110    0.00  -0.001524792  -0.023530197  -0.013099881
 H     -2.596220      1.154527     -1.770092    0.00   0.000052751  -0.000255040  -0.000332088
 H     -2.186921      2.084414      0.603223    0.00  -0.000606418  -0.000212398   0.000242037
 H     -1.454782      3.010263     -0.708053    0.00  -0.000030774   0.000170134   0.000391454
 H      0.751881      1.934768     -0.359526    0.00   0.001002040  -0.000160444  -0.000651079
 H      0.187685      2.768408      1.103085    0.00   0.000879961  -0.000122226  -0.000491564
 H     -2.849596     -0.365803      0.164000    0.00   0.000547974   0.000877082  -0.000317352
 H     -0.560466      0.417917      1.984914    0.00  -0.000378237  -0.002308028  -0.001002374
 H      1.195116      0.633052      1.793761    0.00   0.001347340  -0.002763314  -0.001626648
 H     -0.860999      0.817787     -1.894275    0.00  -0.000287963  -0.000324586   0.000051251
 O     -1.024589     -1.777330      1.281826    0.00  -0.002441720   0.009758114   0.005365388
 C     -2.088251     -1.579692     -1.482778    0.00   0.001504035   0.008275162  -0.002839503
 H     -2.304387     -2.533505     -0.979671    0.00   0.000159426   0.000908636  -0.000270011
 H     -2.910840     -1.386238     -2.179033    0.00   0.000020963   0.000710810  -0.000502918
 H     -1.173299     -1.719909     -2.080633    0.00   0.000111527   0.000469903  -0.000192535
 H      0.375383     -2.566158      1.357242    0.00  -0.000853466  -0.004355627  -0.001369043
 O      0.482946     -0.501399      0.270635    0.00   0.044457827  -0.020333830   0.032196841
 O      1.323099     -1.868463     -0.953659    0.00  -0.016469897   0.011999765  -0.009570129
 C      1.556662     -2.866922     -0.304986    0.00  -0.008645370  -0.000862066  -0.007568187
 H      2.221531     -3.681712     -0.613088    0.00  -0.001470297  -0.000914747   0.000949027
 O      1.060630     -3.173881      0.898797    0.00  -0.011780114  -0.000006134  -0.001137278
26
 Energy =      -0.265562396301
 C     -0.010822      1.898133      0.449773    0.00   0.005493054  -0.006075234  -0.005915208
 C     -1.404099      2.035284     -0.176459    0.00  -0.003216108  -0.001292303   0.001646910
 C     -1.697265      0.907368     -1.168875    0.00  -0.002038924  -0.000962572  -0.000529945
 C     -1.932554     -0.440151     -0.480792    0.00   0.000108358   0.009771543  -0.001398434
 C     -0.829850     -0.960906      0.392244    0.00  -0.003555637   0.016358477   0.007677880
 C      0.250913      0.636152      1.245866    0.00   0.001285180  -0.022781909  -0.010189368
 H     -2.594115      1.155947     -1.770982    0.00   0.000044438  -0.000269644  -0.000364773
 H     -2.184974      2.081278      0.605553    0.00  -0.000657907  -0.000209996   0.000263466
 H     -1.456882      3.009116     -0.706617    0.00  -0.000009574   0.000212365   0.000436278
 H      0.751851      1.941190     -0.362610    0.00   0.000920815  -0.000188150  -0.000607228
 H      0.187288      2.774400      1.100429    0.00   0.000956896  -0.000154409  -0.000565761
 H     -2.853873     -0.365177      0.159128    0.00   0.000437346   0.000902467  -0.000304247
 H     -0.546263      0.424287      1.989252    0.00  -0.000143955  -0.002647136  -0.000693237
 H      1.208376      0.648619      1.793056    0.00   0.001049276  -0.002372211  -0.001893431
 H     -0.858874      0.817003     -1.892740    0.00  -0.000311362  -0.000330822   0.000053817
 O     -1.027739     -1.780370      1.281472    0.00  -0.003280607   0.009661899   0.004990307
 C     -2.090895     -1.580614     -1.486547    0.00   0.001529143   0.008699665  -0.003074551
 H     -2.307910     -2.534785     -0.984351    0.00   0.000157881   0.000937179  -0.000295999
 H     -2.912400     -1.387307     -2.184090    0.00   0.000057165   0.000722556  -0.000516376
 H     -1.175095     -1.720449     -2.083375    0.00   0.000093396   0.000519507  -0.000198341
 H      0.399255     -2.557002      1.364516    0.00  -0.000541145  -0.003766553  -0.001423573
 O      0.474177     -0.487124      0.282744    0.00   0.036987438  -0.015558773   0.028100970
 O      1.324574     -1.874904     -0.958275    0.00  -0.014458057   0.010769105  -0.007298312
 C      1.561026     -2.869897     -0.307302    0.00  -0.008873855  -0.000897698  -0.006426383
 H      2.226510     -3.687770     -0.606104    0.00  -0.001227859  -0.000647313   0.000521246
 O      1.063101     -3.177524      0.898695    0.00  -0.010805397  -0.000400038  -0.001995706
26
 Energy =      -0.269627758226
 C     -0.008099      1.903349      0.448716    0.00   0.005853325  -0.006232594  -0.005662056
 C     -1.403179      2.033756     -0.175074    0.00  -0.003225834  -0.001262472   0.001686033
 C     -1.696103      0.906583     -1.168713    0.00  -0.002244482  -0.000949181  -0.000535128
 C     -1.936047     -0.442490     -0.484590    0.00  -0.000252947   0.009334293  -0.001343727
 C     -0.837358     -0.966730      0.391370    0.00  -0.001326281   0.012178166   0.007484681
 C      0.262127      0.644236      1.248722    0.00   0.003479715  -0.021649511  -0.007842578
 H     -2.591508      1.157579     -1.772115    0.00   0.000029030  -0.000279167  -0.000391233
 H     -2.182695      2.077351      0.608339    0.00  -0.000703814  -0.000200478   0.000282652
 H     -1.459717      3.007753     -0.704897    0.00   0.000012801   0.000252040   0.000479637
 H      0.752049      1.947970     -0.365714    0.00   0.000824643  -0.000204500  -0.000555882
 H      0.187016      2.781857      1.097054    0.00   0.001015324  -0.000178905  -0.000634770
 H     -2.858555     -0.365205      0.153612    0.00   0.000335615   0.000922770  -0.000292604
 H     -0.530498      0.433197      1.996660    0.00   0.000032694  -0.002823316  -0.000465107
 H      1.223393      0.663850      1.789677    0.00   0.000796040  -0.002002105  -0.002061075
 H     -0.856353      0.815965     -1.890931    0.00  -0.000337634  -0.000334733   0.000058701
 O     -1.031017     -1.784001      1.280940    0.00  -0.003743950   0.009398247   0.004339666
 C     -2.093979     -1.581709     -1.491051    0.00   0.001547584   0.008885375  -0.003258162
 H     -2.311945     -2.536266     -0.989888    0.00   0.000160493   0.000945720  -0.000313310
 H     -2.914288     -1.388270     -2.189927    0.00   0.000101103   0.000710278  -0.000517425
 H     -1.177279     -1.721295     -2.086690    0.00   0.000077156   0.000555286  -0.000202069
 H      0.422778     -2.546817      1.370067    0.00  -0.000346713  -0.003135476  -0.001445130
 O      0.465181     -0.474079      0.294303    0.00   0.030308277  -0.011396660   0.024443606
 O      1.325741     -1.881500     -0.962515    0.00  -0.012724968   0.009531536  -0.005213255
 C      1.565718     -2.873471     -0.309496    0.00  -0.008834922  -0.000768705  -0.005624487
 H      2.231611     -3.693562     -0.601335    0.00  -0.001036602  -0.000425522   0.000205748
 O      1.066017     -3.181148      0.898380    0.00  -0.009795654  -0.000870387  -0.002622726
26
 Energy =      -0.273213436988
 C     -0.005168      1.909410      0.447697    0.00   0.006058421  -0.006239598  -0.005326063
 C     -1.402177      2.032015     -0.173504    0.00  -0.003181384  -0.001199860   0.001721188
 C     -1.694726      0.905573     -1.168521    0.00  -0.002438592  -0.000950851  -0.000528620
 C     -1.939676     -0.445183     -0.488634    0.00  -0.000539919   0.008702118  -0.001241936
 C     -0.844692     -0.971020      0.391605    0.00   0.000506506   0.008762932   0.007375263
 C      0.272940      0.653790      1.252458    0.00   0.004914501  -0.020133169  -0.006185578
 H     -2.588354      1.159355     -1.773510    0.00   0.000006053  -0.000282470  -0.000410225
 H     -2.180105      2.072541      0.611586    0.00  -0.000739926  -0.000185052   0.000298235
 H     -1.463392      3.006172     -0.702861    0.00   0.000034058   0.000285440   0.000518971
 H      0.752480      1.954939     -0.368780    0.00   0.000730216  -0.000209392  -0.000503523
 H      0.186904      2.790785      1.092898    0.00   0.001043108  -0.000193405  -0.000684608
 H     -2.863644     -0.365951      0.147428    0.00   0.000252444   0.000933577  -0.000281787
 H     -0.513447      0.444364      2.006656    0.00   0.000156477  -0.002855170  -0.000321663
 H      1.239828      0.678522      1.783707    0.00   0.000599981  -0.001663395  -0.002123348
 H     -0.853398      0.814606     -1.888815    0.00  -0.000364120  -0.000337640   0.000064722
 O     -1.034364     -1.788110      1.280161    0.00  -0.003922719   0.009016814   0.003645383
 C     -2.097452     -1.582935     -1.496259    0.00   0.001560828   0.008806733  -0.003373864
 H     -2.316474     -2.537891     -0.996247    0.00   0.000165878   0.000935589  -0.000322592
 H     -2.916489     -1.388964     -2.196437    0.00   0.000148870   0.000674517  -0.000507468
 H     -1.179842     -1.722444     -2.090576    0.00   0.000064364   0.000573889  -0.000204103
 H      0.445278     -2.536427      1.373531    0.00  -0.000229762  -0.002504115  -0.001402473
 O      0.456028     -0.462425      0.305236    0.00   0.024762259  -0.008134588   0.021367477
 O      1.326594     -1.888210     -0.966257    0.00  -0.011218982   0.008348749  -0.003432288
 C      1.570667     -2.877603     -0.311687    0.00  -0.008630724  -0.000519791  -0.005034641
 H      2.236751     -3.699202     -0.598623    0.00  -0.000890637  -0.000253560  -0.000010275
 O      1.069402     -3.184664      0.897896    0.00  -0.008847198  -0.001378303  -0.003096183
26
 Energy =      -0.276406593528
 C     -0.002098      1.916212      0.446729    0.00   0.006095298  -0.006084575  -0.004958436
 C     -1.401131      2.030075     -0.171756    0.00  -0.003088135  -0.001110829   0.001757378
 C     -1.693110      0.904325     -1.168283    0.00  -0.002601848  -0.000974021  -0.000520526
 C     -1.943351     -0.448154     -0.492793    0.00  -0.000723895   0.007959099  -0.001097826
 C     -0.851888     -0.973784      0.392951    0.00   0.001895164   0.006167475   0.007247287
 C      0.283303      0.664464      1.256703    0.00   0.005647467  -0.018341843  -0.005164377
 H     -2.584631      1.161180     -1.775172    0.00  -0.000022448  -0.000279937  -0.000422753
 H     -2.177249      2.066815      0.615273    0.00  -0.000763468  -0.000165972   0.000309394
 H     -1.467955      3.004382     -0.700474    0.00   0.000052434   0.000309735   0.000552157
 H      0.753099      1.961996     -0.371790    0.00   0.000651373  -0.000205189  -0.000455727
 H      0.186961      2.800993      1.088020    0.00   0.001034904  -0.000197543  -0.000704823
 H     -2.869131     -0.367381      0.140601    0.00   0.000191843   0.000929649  -0.000270546
 H     -0.495460      0.457379      2.018503    0.00   0.000238509  -0.002775600  -0.000249121
 H      1.257154      0.692483      1.775480    0.00   0.000458873  -0.001364371  -0.002093469
 H     -0.849977      0.812885     -1.886361    0.00  -0.000388134  -0.000341106   0.000070850
 O     -1.037745     -1.792575      1.279119    0.00  -0.003885122   0.008566615   0.003029369
 C     -2.101217     -1.584224     -1.502070    0.00   0.001569595   0.008477928  -0.003414560
 H     -2.321443     -2.539585     -1.003342    0.00   0.000172417   0.000909344  -0.000325138
 H     -2.918942     -1.389223     -2.203448    0.00   0.000194985   0.000619610  -0.000489634
 H     -1.182726     -1.723848     -2.094985    0.00   0.000056265   0.000573297  -0.000204430
 H      0.465998     -2.526613      1.374833    0.00  -0.000163081  -0.001913172  -0.001300604
 O      0.446802     -0.452115      0.315584    0.00   0.020399178  -0.005809167   0.018865715
 O      1.327148     -1.894964     -0.969430    0.00  -0.009905059   0.007265441  -0.001997377
 C      1.575776     -2.882249     -0.313959    0.00  -0.008309533  -0.000207401  -0.004563493
 H      2.241863     -3.704789     -0.597676    0.00  -0.000779434  -0.000129024  -0.000146519
 O      1.073285     -3.188004      0.897279    0.00  -0.008028148  -0.001878441  -0.003452790
26
 Energy =      -0.279273856102
 C      0.001044      1.923610      0.445796    0.00   0.005982137  -0.005780516  -0.004601233
 C     -1.400085      2.027953     -0.169837    0.00  -0.002953022  -0.001003221   0.001795556
 C     -1.691237      0.902846     -1.167989    0.00  -0.002717527  -0.001017624  -0.000518969
 C     -1.947014     -0.451303     -0.496951    0.00  -0.000798516   0.007174798  -0.000923897
 C     -0.859005     -0.975180      0.395284    0.00   0.002840820   0.004312905   0.007051575
 C      0.293238      0.675864      1.261051    0.00   0.005857627  -0.016430840  -0.004611653
 H     -2.580331      1.162956     -1.777113    0.00  -0.000053118  -0.000273043  -0.000431191
 H     -2.174184      2.060189      0.619365    0.00  -0.000773667  -0.000145725   0.000315934
 H     -1.473403      3.002404     -0.697703    0.00   0.000067272   0.000323873   0.000578036
 H      0.753830      1.969145     -0.374770    0.00   0.000594295  -0.000195164  -0.000415582
 H      0.187163      2.812158      1.082582    0.00   0.000994490  -0.000192348  -0.000693061
 H     -2.874985     -0.369367      0.133216    0.00   0.000152724   0.000907451  -0.000257766
 H     -0.476876      0.471824      2.031416    0.00   0.000291446  -0.002621757  -0.000225429
 H      1.274835      0.705679      1.765460    0.00   0.000361468  -0.001109081  -0.001996783
 H     -0.846061      0.810786     -1.883540    0.00  -0.000407702  -0.000346328   0.000076444
 O     -1.041162     -1.797283      1.277830    0.00  -0.003689564   0.008087826   0.002535255
 C     -2.105155     -1.585494     -1.508341    0.00   0.001574685   0.007944716  -0.003383167
 H     -2.326778     -2.541273     -1.011063    0.00   0.000178636   0.000869919  -0.000322430
 H     -2.921556     -1.388914     -2.210788    0.00   0.000234187   0.000552087  -0.000467631
 H     -1.185843     -1.725413     -2.099823    0.00   0.000053170   0.000553375  -0.000202688
 H      0.484369     -2.517977      1.374127    0.00  -0.000128294  -0.001393312  -0.001161039
 O      0.437573     -0.442948      0.325484    0.00   0.017052320  -0.004263136   0.016837321
 O      1.327430     -1.901701     -0.972025    0.00  -0.008753081   0.006307463  -0.000896147
 C      1.580941     -2.887354     -0.316364    0.00  -0.007896309   0.000112674  -0.004152780
 H      2.246914     -3.710386     -0.598137    0.00  -0.000691764  -0.000044185  -0.000225057
 O      1.077695     -3.191148      0.896569    0.00  -0.007372712  -0.002330806  -0.003703618
26
 Energy =      -0.281862044154
 C      0.004199      1.931452      0.444844    0.00   0.005755593  -0.005359162  -0.004277001
 C     -1.399085      2.025670     -0.167753    0.00  -0.002782486  -0.000884272   0.001832455
 C     -1.689089      0.901157     -1.167632    0.00  -0.002775423  -0.001075558  -0.000528387
 C     -1.950642     -0.454528     -0.501014    0.00  -0.000776522   0.006394214  -0.000735818
 C     -0.866104     -0.975457      0.398423    0.00   0.003394194   0.003049287   0.006772459
 C      0.302804      0.687672      1.265177    0.00   0.005740132  -0.014535363  -0.004341108
 H     -2.575436      1.164611     -1.779358    0.00  -0.000082746  -0.000263518  -0.000437893
 H     -2.170962      2.052705      0.623830    0.00  -0.000771393  -0.000126268   0.000318049
 H     -1.479710      3.000264     -0.694516    0.00   0.000078885   0.000328558   0.000596406
 H      0.754587      1.976482     -0.377775    0.00   0.000557458  -0.000181886  -0.000383448
 H      0.187447      2.823927      1.076789    0.00   0.000931535  -0.000179527  -0.000654690
 H     -2.881158     -0.371731      0.125388    0.00   0.000130974   0.000866494  -0.000242887
 H     -0.457978      0.487361      2.044732    0.00   0.000325314  -0.002426262  -0.000229513
 H      1.292448      0.718134      1.754107    0.00   0.000294766  -0.000896143  -0.001860506
 H     -0.841611      0.808318     -1.880319    0.00  -0.000421723  -0.000353660   0.000081246
 O     -1.044642     -1.802143      1.276332    0.00  -0.003388656   0.007607449   0.002162322
 C     -2.109155     -1.586663     -1.514923    0.00   0.001576762   0.007266676  -0.003289560
 H     -2.332400     -2.542884     -1.019301    0.00   0.000183501   0.000820005  -0.000315677
 H     -2.924217     -1.387953     -2.218311    0.00   0.000262952   0.000478558  -0.000444532
 H     -1.189086     -1.727023     -2.104976    0.00   0.000054320   0.000515938  -0.000198363
 H      0.500128     -2.510879      1.371697    0.00  -0.000114277  -0.000960889  -0.001007086
 O      0.428382     -0.434677      0.335091    0.00   0.014475001  -0.003268412   0.015159389
 O      1.327471     -1.908380     -0.974080    0.00  -0.007736470   0.005484516  -0.000087170
 C      1.586076     -2.892847     -0.318919    0.00  -0.007411130   0.000396717  -0.003773173
 H      2.251896     -3.716019     -0.599670    0.00  -0.000618534   0.000010681  -0.000265666
 O      1.082662     -3.194129      0.895800    0.00  -0.006882028  -0.002708172  -0.003849848
26
 Energy =      -0.284204182895
 C      0.007323      1.939609      0.443806    0.00   0.005455773  -0.004859594  -0.003989818
 C     -1.398177      2.023249     -0.165507    0.00  -0.002581823  -0.000759970   0.001862300
 C     -1.686648      0.899298     -1.167211    0.00  -0.002772563  -0.001139855  -0.000549726
 C     -1.954234     -0.457735     -0.504913    0.00  -0.000680623   0.005641139  -0.000548898
 C     -0.873228     -0.974884      0.402176    0.00   0.003633727   0.002216154   0.006415892
 C      0.312057      0.699662      1.268858    0.00   0.005447201  -0.012741698  -0.004205570
 H     -2.569916      1.166108     -1.781950    0.00  -0.000109088  -0.000252736  -0.000444224
 H     -2.167622      2.044417      0.628646    0.00  -0.000758363  -0.000108701   0.000316045
 H     -1.486840      2.997991     -0.690874    0.00   0.000088043   0.000325537   0.000607633
 H      0.755290      1.984135     -0.380879    0.00   0.000534832  -0.000166530  -0.000357797
 H      0.187728      2.835993      1.070832    0.00   0.000856636  -0.000161108  -0.000599165
 H     -2.887584     -0.374280      0.117254    0.00   0.000121630   0.000809158  -0.000226012
 H     -0.438976      0.503750      2.057972    0.00   0.000346225  -0.002213278  -0.000245759
 H      1.309714      0.729909      1.741784    0.00   0.000248179  -0.000720204  -0.001706802
 H     -0.836577      0.805507     -1.876654    0.00  -0.000429731  -0.000362553   0.000085209
 O     -1.048227     -1.807083      1.274660    0.00  -0.003028255   0.007140199   0.001890209
 C     -2.113121     -1.587654     -1.521684    0.00   0.001575723   0.006502047  -0.003146696
 H     -2.338228     -2.544357     -1.027957    0.00   0.000186527   0.000761977  -0.000305631
 H     -2.926810     -1.386311     -2.225920    0.00   0.000280000   0.000404335  -0.000422177
 H     -1.192342     -1.728547     -2.110309    0.00   0.000058209   0.000464398  -0.000191051
 H      0.513292     -2.505476      1.367872    0.00  -0.000114708  -0.000618967  -0.000856095
 O      0.419252     -0.427084      0.344537    0.00   0.012438774  -0.002619628   0.013729167
 O      1.327295     -1.914976     -0.975662    0.00  -0.006833982   0.004794645   0.000481529
 C      1.591123     -2.898659     -0.321621    0.00  -0.006875555   0.000618088  -0.003414536
 H      2.256812     -3.721677     -0.602014    0.00  -0.000553769   0.000044371  -0.000283335
 O      1.088212     -3.197016      0.895010    0.00  -0.006533023  -0.002997227  -0.003894690
26
 Energy =      -0.286324951102
 C      0.010375      1.947979      0.442612    0.00   0.005116647  -0.004318553  -0.003732383
 C     -1.397401      2.020717     -0.163105    0.00  -0.002355515  -0.000635188   0.001879013
 C     -1.683903      0.897314     -1.166734    0.00  -0.002711903  -0.001203013  -0.000581502
 C     -1.957794     -0.460838     -0.508604    0.00  -0.000535390   0.004926222  -0.000375914
 C     -0.880396     -0.973707      0.406371    0.00   0.003643336   0.001676478   0.006000378
 C      0.321036      0.711695      1.271970    0.00   0.005076632  -0.011090617  -0.004111259
 H     -2.563735      1.167436     -1.784946    0.00  -0.000130969  -0.000241548  -0.000450321
 H     -2.164194      2.035384      0.633796    0.00  -0.000736401  -0.000093351   0.000310187
 H     -1.494772      2.995620     -0.686745    0.00   0.000095485   0.000316805   0.000612221
 H      0.755866      1.992210     -0.384150    0.00   0.000519397  -0.000149129  -0.000336349
 H      0.187922      2.848126      1.064850    0.00   0.000778066  -0.000139237  -0.000536211
 H     -2.894186     -0.376825      0.108957    0.00   0.000120274   0.000739665  -0.000207789
 H     -0.420019      0.520826      2.070819    0.00   0.000357232  -0.001998509  -0.000264459
 H      1.326473      0.741078      1.728745    0.00   0.000214476  -0.000574500  -0.001550529
 H     -0.830915      0.802391     -1.872501    0.00  -0.000431577  -0.000371798   0.000088323
 O     -1.051967     -1.812057      1.272844    0.00  -0.002646017   0.006691912   0.001693318
 C     -2.116973     -1.588401     -1.528505    0.00   0.001570351   0.005699768  -0.002967716
 H     -2.344185     -2.545637     -1.036931    0.00   0.000187695   0.000698069  -0.000292665
 H     -2.929217     -1.383995     -2.233557    0.00   0.000285945   0.000333020  -0.000401222
 H     -1.195494     -1.729868     -2.115680    0.00   0.000063071   0.000403132  -0.000180638
 H      0.524085     -2.501792      1.362977    0.00  -0.000125611  -0.000360987  -0.000717845
 O      0.410184     -0.420014      0.353916    0.00   0.010771255  -0.002170801   0.012474318
 O      1.326919     -1.921485     -0.976849    0.00  -0.006030230   0.004228412   0.000862220
 C      1.596047     -2.904712     -0.324449    0.00  -0.006312306   0.000766208  -0.003076542
 H      2.261676     -3.727325     -0.604985    0.00  -0.000494272   0.000063349  -0.000288045
 O      1.094365     -3.199896      0.894235    0.00  -0.006289668  -0.003195808  -0.003848588
26
 Energy =      -0.288244148196
 C      0.013317      1.956487      0.441200    0.00   0.004762485  -0.003765407  -0.003493438
 C     -1.396797      2.018104     -0.160551    0.00  -0.002107841  -0.000513910   0.001877802
 C     -1.680845      0.895258     -1.166210    0.00  -0.002600205  -0.001259091  -0.000620796
 C     -1.961325     -0.463754     -0.512050    0.00  -0.000362618   0.004253854  -0.000226024
 C     -0.887606     -0.972132      0.410867    0.00   0.003498378   0.001327052   0.005549133
 C      0.329754      0.723693      1.274451    0.00   0.004682930  -0.009593003  -0.004008389
 H     -2.556855      1.168600     -1.788404    0.00  -0.000147995  -0.000230380  -0.000455374
 H     -2.160703      2.025664      0.639265    0.00  -0.000707012  -0.000080047   0.000300664
 H     -1.503487      2.993189     -0.682102    0.00   0.000101653   0.000304082   0.000610535
 H      0.756256      2.000764     -0.387655    0.00   0.000505379  -0.000129253  -0.000316945
 H      0.187963      2.860176      1.058916    0.00   0.000700910  -0.000115966  -0.000473465
 H     -2.900881     -0.379200      0.100629    0.00   0.000123556   0.000662887  -0.000189167
 H     -0.401206      0.538468      2.083090    0.00   0.000359777  -0.001790977  -0.000280480
 H      1.342644      0.751706      1.715139    0.00   0.000189207  -0.000452821  -0.001400005
 H     -0.824582      0.799010     -1.867819    0.00  -0.000427244  -0.000379899   0.000090545
 O     -1.055900     -1.817035      1.270911    0.00  -0.002270769   0.006263120   0.001547791
 C     -2.120647     -1.588845     -1.535285    0.00   0.001558496   0.004897391  -0.002764338
 H     -2.350197     -2.546665     -1.046124    0.00   0.000187269   0.000630487  -0.000276965
 H     -2.931333     -1.381037     -2.241184    0.00   0.000282551   0.000266706  -0.000381531
 H     -1.198434     -1.730887     -2.120944    0.00   0.000067286   0.000336759  -0.000167328
 H      0.532842     -2.499781      1.357319    0.00  -0.000143721  -0.000174869  -0.000596180
 O      0.401177     -0.413375      0.363285    0.00   0.009356528  -0.001833955   0.011348103
 O      1.326348     -1.927911     -0.977720    0.00  -0.005314558   0.003772270   0.001102393
 C      1.600840     -2.910932     -0.327374    0.00  -0.005742995   0.000842357  -0.002762113
 H      2.266515     -3.732911     -0.608461    0.00  -0.000438774   0.000071656  -0.000285786
 O      1.101129     -3.202863      0.893511    0.00  -0.006112672  -0.003309041  -0.003728643
26
 Energy =       -0.28997866169
 C      0.016108      1.965074      0.439520    0.00   0.004408294  -0.003221268  -0.003262763
 C     -1.396403      2.015452     -0.157860    0.00  -0.001843463  -0.000399284   0.001855761
 C     -1.677472      0.893187     -1.165652    0.00  -0.002446025  -0.001303830  -0.000663881
 C     -1.964820     -0.466414     -0.515230    0.00  -0.000179641   0.003626242  -0.000104456
 C     -0.894847     -0.970318      0.415560    0.00   0.003259517   0.001095984   0.005084120
 C      0.338205      0.735605      1.276279    0.00   0.004292808  -0.008244702  -0.003875857
 H     -2.549238      1.169622     -1.792380    0.00  -0.000160211  -0.000219403  -0.000458090
 H     -2.157171      2.015321      0.645032    0.00  -0.000671261  -0.000068423   0.000287636
 H     -1.512978      2.990737     -0.676929    0.00   0.000106654   0.000288622   0.000602716
 H      0.756401      2.009798     -0.391449    0.00   0.000489058  -0.000106663  -0.000298000
 H      0.187810      2.872051      1.053054    0.00   0.000627655  -0.000093003  -0.000415696
 H     -2.907591     -0.381260      0.092380    0.00   0.000129164   0.000583409  -0.000171116
 H     -0.382605      0.556574      2.094683    0.00   0.000354828  -0.001595168  -0.000291625
 H      1.358182      0.761848      1.701048    0.00   0.000169785  -0.000350364  -0.001258907
 H     -0.817548      0.795420     -1.862576    0.00  -0.000416798  -0.000385398   0.000091805
 O     -1.060059     -1.822001      1.268874    0.00  -0.001922595   0.005851845   0.001434015
 C     -2.124092     -1.588938     -1.541936    0.00   0.001537617   0.004122134  -0.002546255
 H     -2.356203     -2.547392     -1.055432    0.00   0.000185607   0.000561396  -0.000258710
 H     -2.933062     -1.377475     -2.248780    0.00   0.000272006   0.000206407  -0.000362634
 H     -1.201067     -1.731533     -2.125961    0.00   0.000069632   0.000269499  -0.000151570
 H      0.539941     -2.499369      1.351167    0.00  -0.000165860  -0.000046430  -0.000491412
 O      0.392227     -0.407123      0.372679    0.00   0.008121900  -0.001563163   0.010321564
 O      1.325577     -1.934268     -0.978352    0.00  -0.004679382   0.003411114   0.001242417
 C      1.605513     -2.917252     -0.330366    0.00  -0.005186081   0.000854874  -0.002474083
 H      2.271369     -3.738370     -0.612359    0.00  -0.000387075   0.000071515  -0.000279866
 O      1.108508     -3.206001      0.892866    0.00  -0.005966133  -0.003345941  -0.003555113
26
 Energy =      -0.291543546469
 C      0.018706      1.973697      0.437538    0.00   0.004062023  -0.002700480  -0.003033419
 C     -1.396254      2.012806     -0.155047    0.00  -0.001567804  -0.000293660   0.001811680
 C     -1.673784      0.891157     -1.165077    0.00  -0.002258312  -0.001334238  -0.000706495
 C     -1.968266     -0.468748     -0.518129    0.00   0.000000619   0.003045191  -0.000012838
 C     -0.902099     -0.968382      0.420374    0.00   0.002971784   0.000935822   0.004622617
 C      0.346367      0.747397      1.277454    0.00   0.003917649  -0.007036266  -0.003708375
 H     -2.540865      1.170522     -1.796915    0.00  -0.000167846  -0.000208646  -0.000457117
 H     -2.153625      2.004434      0.651066    0.00  -0.000629885  -0.000058127   0.000271302
 H     -1.523230      2.988309     -0.671221    0.00   0.000110349   0.000271261   0.000588718
 H      0.756238      2.019258     -0.395583    0.00   0.000468646  -0.000081670  -0.000278597
 H      0.187455      2.883698      1.047241    0.00   0.000559206  -0.000071563  -0.000365079
 H     -2.914246     -0.382881      0.084297    0.00   0.000135522   0.000504978  -0.000154395
 H     -0.364262      0.575046      2.105543    0.00   0.000343445  -0.001412857  -0.000297311
 H      1.373059      0.771555      1.686514    0.00   0.000154692  -0.000263787  -0.001128152
 H     -0.809801      0.791679     -1.856758    0.00  -0.000400432  -0.000387089   0.000092054
 O     -1.064463     -1.826952      1.266748    0.00  -0.001613443   0.005455480   0.001336860
 C     -2.127263     -1.588644     -1.548382    0.00   0.001505403   0.003392939  -0.002321127
 H     -2.362149     -2.547762     -1.064751    0.00   0.000183022   0.000492806  -0.000238182
 H     -2.934321     -1.373350     -2.256328    0.00   0.000256408   0.000152487  -0.000344050
 H     -1.203305     -1.731767     -2.130604    0.00   0.000069374   0.000204773  -0.000133939
 H      0.545744     -2.500478      1.344756    0.00  -0.000189000   0.000038198  -0.000402276
 O      0.383337     -0.401243      0.382117    0.00   0.007023628  -0.001337825   0.009377135
 O      1.324587     -1.940582     -0.978809    0.00  -0.004118659   0.003130057   0.001314617
 C      1.610090     -2.923612     -0.333395    0.00  -0.004655797   0.000815175  -0.002213952
 H      2.276301     -3.743634     -0.616610    0.00  -0.000339392   0.000064092  -0.000272027
 O      1.116494     -3.209381      0.892322    0.00  -0.005821198  -0.003317051  -0.003347653
26
 Energy =      -0.292952595318
 C      0.021066      1.982312      0.435228    0.00   0.003727126  -0.002212805  -0.002802028
 C     -1.396383      2.010221     -0.152135    0.00  -0.001287183  -0.000198672   0.001745503
 C     -1.669789      0.889230     -1.164500    0.00  -0.002045659  -0.001348065  -0.000744047
 C     -1.971643     -0.470696     -0.520739    0.00   0.000168913   0.002512548   0.000050161
 C     -0.909342     -0.966407      0.425258    0.00   0.002666367   0.000816523   0.004176049
 C      0.354212      0.759041      1.277987    0.00   0.003561534  -0.005957842  -0.003508064
 H     -2.531733      1.171328     -1.802032    0.00  -0.000171183  -0.000198045  -0.000451308
 H     -2.150098      1.993100      0.657321    0.00  -0.000583486  -0.000048925   0.000251956
 H     -1.534217      2.985949     -0.664995    0.00   0.000112494   0.000252556   0.000568420
 H      0.755708      2.029053     -0.400101    0.00   0.000443761  -0.000055194  -0.000258364
 H      0.186912      2.895083      1.041438    0.00   0.000495720  -0.000052368  -0.000321916
 H     -2.920786     -0.383960      0.076441    0.00   0.000141509   0.000430310  -0.000139422
 H     -0.346218      0.593788      2.115649    0.00   0.000326925  -0.001244397  -0.000297714
 H      1.387252      0.780869      1.671565    0.00   0.000142943  -0.000190870  -0.001007294
 H     -0.801356      0.787858     -1.850365    0.00  -0.000378517  -0.000384084   0.000091291
 O     -1.069121     -1.831892      1.264537    0.00  -0.001348245   0.005071893   0.001245153
 C     -2.130122     -1.587933     -1.554557    0.00   0.001460253   0.002722481  -0.002094858
 H     -2.367999     -2.547727     -1.073971    0.00   0.000179723   0.000426474  -0.000215800
 H     -2.935038     -1.368704     -2.263810    0.00   0.000237503   0.000104962  -0.000325470
 H     -1.205083     -1.731582     -2.134751    0.00   0.000066230   0.000145039  -0.000115049
 H      0.550564     -2.503036      1.338272    0.00  -0.000210547   0.000091148  -0.000327050
 O      0.374521     -0.395740      0.391612    0.00   0.006035951  -0.001150285   0.008504259
 O      1.323355     -1.946885     -0.979149    0.00  -0.003626928   0.002915479   0.001343330
 C      1.614613     -2.929963     -0.336428    0.00  -0.004161783   0.000735102  -0.001981849
 H      2.281405     -3.748626     -0.621148    0.00  -0.000295972   0.000050118  -0.000263181
 O      1.125073     -3.213057      0.891887    0.00  -0.005657447  -0.003233081  -0.003122708
26
 Energy =       -0.29421862068
 C      0.023144      1.990881      0.432579    0.00   0.003404707  -0.001765292  -0.002568072
 C     -1.396820      2.007761     -0.149152    0.00  -0.001008652  -0.000115407   0.001657811
 C     -1.665504      0.887466     -1.163936    0.00  -0.001816046  -0.001343441  -0.000771925
 C     -1.974923     -0.472202     -0.523055    0.00   0.000318815   0.002030097   0.000088023
 C     -0.916555     -0.964449      0.430176    0.00   0.002363421   0.000719831   0.003750467
 C      0.361700      0.770505      1.277897    0.00   0.003225680  -0.005000834  -0.003279836
 H     -2.521863      1.172068     -1.807730    0.00  -0.000170510  -0.000187453  -0.000439839
 H     -2.146630      1.981440      0.663740    0.00  -0.000532713  -0.000040713   0.000230017
 H     -1.545893      2.983706     -0.658289    0.00   0.000112857   0.000232907   0.000541743
 H      0.754750      2.039069     -0.405032    0.00   0.000414870  -0.000028599  -0.000237313
 H      0.186213      2.906185      1.035595    0.00   0.000437114  -0.000035744  -0.000285416
 H     -2.927158     -0.384412      0.068853    0.00   0.000146254   0.000361154  -0.000126250
 H     -0.328517      0.612699      2.124986    0.00   0.000306705  -0.001089515  -0.000293290
 H      1.400732      0.789834      1.656236    0.00   0.000133788  -0.000130112  -0.000895388
 H     -0.792251      0.784031     -1.843420    0.00  -0.000351637  -0.000375810   0.000089564
 O     -1.074025     -1.836831      1.262239    0.00  -0.001126485   0.004699941   0.001151041
 C     -2.132637     -1.586787     -1.560400    0.00   0.001401520   0.002118708  -0.001871989
 H     -2.373732     -2.547241     -1.082981    0.00   0.000175811   0.000363838  -0.000192114
 H     -2.935151     -1.363572     -2.271206    0.00   0.000216628   0.000063678  -0.000306790
 H     -1.206341     -1.731000     -2.138300    0.00   0.000060295   0.000091840  -0.000095487
 H      0.554658     -2.506976      1.331854    0.00  -0.000228599   0.000122222  -0.000264050
 O      0.365802     -0.390631      0.401177    0.00   0.005143881  -0.000998294   0.007696493
 O      1.321846     -1.953220     -0.979421    0.00  -0.003198825   0.002755464   0.001345636
 C      1.619128     -2.936261     -0.339439    0.00  -0.003709278   0.000625527  -0.001776811
 H      2.286807     -3.753259     -0.625890    0.00  -0.000256888   0.000030289  -0.000253824
 O      1.134227     -3.217064      0.891564    0.00  -0.005462714  -0.003104282  -0.002892405
26
 Energy =      -0.295353584143
 C      0.024895      1.999365      0.429588    0.00   0.003094943  -0.001363373  -0.002332959
 C     -1.397587      2.005490     -0.146132    0.00  -0.000739609  -0.000044578   0.001549547
 C     -1.660960      0.885922     -1.163400    0.00  -0.001576824  -0.001318790  -0.000785930
 C     -1.978079     -0.473217     -0.525078    0.00   0.000446012   0.001599261   0.000105542
 C     -0.923712     -0.962541      0.435103    0.00   0.002074940   0.000635151   0.003347926
 C      0.368794      0.781763      1.277214    0.00   0.002910518  -0.004157957  -0.003029233
 H     -2.511309      1.172773     -1.813980    0.00  -0.000166100  -0.000176647  -0.000422241
 H     -2.143267      1.969610      0.670246    0.00  -0.000478368  -0.000033478   0.000206036
 H     -1.558181      2.981629     -0.651170    0.00   0.000111316   0.000212641   0.000508754
 H      0.753318      2.049175     -0.410399    0.00   0.000382856  -0.000003436  -0.000215671
 H      0.185393      2.916983      1.029666    0.00   0.000383281  -0.000021760  -0.000254320
 H     -2.933318     -0.384174      0.061561    0.00   0.000149053   0.000298486  -0.000114638
 H     -0.311212      0.631678      2.133554    0.00   0.000284223  -0.000947715  -0.000284550
 H      1.413467      0.798488      1.640578    0.00   0.000126576  -0.000080411  -0.000791439
 H     -0.782559      0.780284     -1.835969    0.00  -0.000320569  -0.000361972   0.000086925
 O     -1.079162     -1.841779      1.259847    0.00  -0.000944030   0.004339538   0.001049460
 C     -2.134780     -1.585201     -1.565857    0.00   0.001329545   0.001585975  -0.001656046
 H     -2.379340     -2.546267     -1.091676    0.00   0.000171310   0.000306001  -0.000167762
 H     -2.934605     -1.357992     -2.278500    0.00   0.000194758   0.000028388  -0.000288061
 H     -1.207037     -1.730065     -2.141151    0.00   0.000051939   0.000045961  -0.000075783
 H      0.558216     -2.512236      1.325597    0.00  -0.000242026   0.000138876  -0.000211733
 O      0.357210     -0.385935      0.410830    0.00   0.004338842  -0.000881025   0.006949604
 O      1.320015     -1.959639     -0.979667    0.00  -0.002828935   0.002639829   0.001332526
 C      1.623698     -2.942473     -0.342396    0.00  -0.003299699   0.000495844  -0.001597073
 H      2.292667     -3.757436     -0.630745    0.00  -0.000221974   0.000005460  -0.000244231
 O      1.143925     -3.221422      0.891344    0.00  -0.005231979  -0.002940270  -0.002664652
26
 Energy =      -0.296368660797
 C      0.026287      2.007724      0.426262    0.00   0.002797850  -0.001011217  -0.002099221
 C     -1.398696      2.003477     -0.143121    0.00  -0.000487237   0.000013340   0.001422008
 C     -1.656203      0.884656     -1.162903    0.00  -0.001334738  -0.001273019  -0.000782797
 C     -1.981081     -0.473705     -0.526811    0.00   0.000547813   0.001220801   0.000108038
 C     -0.930782     -0.960701      0.440017    0.00   0.001807239   0.000556695   0.002968128
 C      0.375451      0.792785      1.275979    0.00   0.002616458  -0.003422690  -0.002761601
 H     -2.500167      1.173468     -1.820720    0.00  -0.000158225  -0.000165340  -0.000398404
 H     -2.140059      1.957795      0.676751    0.00  -0.000421452  -0.000027250   0.000180680
 H     -1.570971      2.979764     -0.643740    0.00   0.000107910   0.000192045   0.000469753
 H      0.751381      2.059247     -0.416196    0.00   0.000348725   0.000018819  -0.000193781
 H      0.184488      2.927457      1.023618    0.00   0.000334139  -0.000010342  -0.000227314
 H     -2.939227     -0.383206      0.054585    0.00   0.000149362   0.000242724  -0.000104170
 H     -0.294369      0.650632      2.141354    0.00   0.000260791  -0.000818456  -0.000271984
 H      1.425418      0.806874      1.624669    0.00   0.000120719  -0.000040848  -0.000694580
 H     -0.772390      0.776704     -1.828083    0.00  -0.000286248  -0.000342535   0.000083389
 O     -1.084509     -1.846748      1.257344    0.00  -0.000794984   0.003991409   0.000937718
 C     -2.136532     -1.583179     -1.570882    0.00   0.001245543   0.001125829  -0.001449826
 H     -2.384828     -2.544774     -1.099953    0.00   0.000166206   0.000253740  -0.000143431
 H     -2.933350     -1.351999     -2.285679    0.00   0.000172601  -0.000001218  -0.000269423
 H     -1.207136     -1.728849     -2.143216    0.00   0.000041709   0.000007630  -0.000056406
 H      0.561366     -2.518760      1.319551    0.00  -0.000250431   0.000146541  -0.000168677
 O      0.348789     -0.381674      0.420594    0.00   0.003616119  -0.000797192   0.006260351
 O      1.317815     -1.966201     -0.979929    0.00  -0.002511830   0.002559893   0.001310319
 C      1.628390     -2.948569     -0.345272    0.00  -0.002931445   0.000354000  -0.001440305
 H      2.299175     -3.761047     -0.635605    0.00  -0.000190819  -0.000023319  -0.000234531
 O      1.154131     -3.226136      0.891211    0.00  -0.004965777  -0.002750042  -0.002443931
26
 Energy =      -0.297274292942
 C      0.027292      2.015920      0.422622    0.00   0.002513572  -0.000711597  -0.001869970
 C     -1.400148      2.001792     -0.140168    0.00  -0.000257909   0.000058085   0.001277041
 C     -1.651299      0.883717     -1.162452    0.00  -0.001095917  -0.001205856  -0.000760667
 C     -1.983903     -0.473640     -0.528259    0.00   0.000622858   0.000894546   0.000100681
 C     -0.937732     -0.958932      0.444894    0.00   0.001562913   0.000481578   0.002609912
 C      0.381630      0.803549      1.274249    0.00   0.002344032  -0.002788671  -0.002481878
 H     -2.488572      1.174187     -1.827855    0.00  -0.000147166  -0.000153215  -0.000368592
 H     -2.137056      1.946212      0.683154    0.00  -0.000363142  -0.000022056   0.000154701
 H     -1.584115      2.978159     -0.636131    0.00   0.000102860   0.000171375   0.000425330
 H      0.748933      2.069163     -0.422397    0.00   0.000313436   0.000036982  -0.000172039
 H      0.183531      2.937593      1.017431    0.00   0.000289614  -0.000001346  -0.000203290
 H     -2.944848     -0.381500      0.047945    0.00   0.000146830   0.000193909  -0.000094376
 H     -0.278072      0.669471      2.148401    0.00   0.000237528  -0.000701191  -0.000256038
 H      1.436541      0.815034      1.608622    0.00   0.000115696  -0.000010576  -0.000604130
 H     -0.761893      0.773379     -1.819865    0.00  -0.000249721  -0.000317746   0.000078899
 O     -1.090035     -1.851741      1.254704    0.00  -0.000673293   0.003656673   0.000815092
 C     -2.137876     -1.580739     -1.575432    0.00   0.001151425   0.000737557  -0.001255582
 H     -2.390218     -2.542744     -1.107723    0.00   0.000160485   0.000207523  -0.000119804
 H     -2.931342     -1.345634     -2.292732    0.00   0.000150685  -0.000025508  -0.000251031
 H     -1.206615     -1.727434     -2.144417    0.00   0.000030259  -0.000023297  -0.000037759
 H      0.564183     -2.526501      1.313729    0.00  -0.000253998   0.000149039  -0.000133544
 O      0.340591     -0.377861      0.430497    0.00   0.002973294  -0.000744272   0.005625802
 O      1.315186     -1.972978     -0.980246    0.00  -0.002242211   0.002508178   0.001282137
 C      1.633276     -2.954519     -0.348036    0.00  -0.002600817   0.000206736  -0.001303835
 H      2.306552     -3.763965     -0.640343    0.00  -0.000162797  -0.000054845  -0.000224739
 O      1.164804     -3.231201      0.891148    0.00  -0.004668515  -0.002542005  -0.002232320
26
 Energy =      -0.298080266928
 C      0.027901      2.023920      0.418700    0.00   0.002242418  -0.000465523  -0.001648573
 C     -1.401925      2.000501     -0.137338    0.00  -0.000056653   0.000089652   0.001117332
 C     -1.646333      0.883145     -1.162052    0.00  -0.000865847  -0.001118243  -0.000719439
 C     -1.986522     -0.473011     -0.529428    0.00   0.000670995   0.000619212   0.000087957
 C     -0.944517     -0.957230      0.449706    0.00   0.001342243   0.000408643   0.002272354
 C      0.387292      0.814032      1.272097    0.00   0.002093826  -0.002249244  -0.002194638
 H     -2.476716      1.174957     -1.835256    0.00  -0.000133252  -0.000139970  -0.000333472
 H     -2.134308      1.935101      0.689338    0.00  -0.000304753  -0.000017894   0.000128900
 H     -1.597425      2.976862     -0.628516    0.00   0.000096553   0.000150865   0.000376421
 H      0.745996      2.078811     -0.428950    0.00   0.000277802   0.000050307  -0.000150856
 H      0.182546      2.947373      1.011103    0.00   0.000249601   0.000005400  -0.000181462
 H     -2.950147     -0.379076      0.041670    0.00   0.000141339   0.000151841  -0.000084843
 H     -0.262425      0.688114      2.154714    0.00   0.000215333  -0.000595377  -0.000237120
 H      1.446793      0.823006      1.592586    0.00   0.000111064   0.000011243  -0.000519590
 H     -0.751260      0.770393     -1.811448    0.00  -0.000212109  -0.000288182   0.000073335
 O     -1.095702     -1.856763      1.251892    0.00  -0.000573902   0.003336394   0.000682427
 C     -2.138806     -1.577907     -1.579479    0.00   0.001049646   0.000418575  -0.001075113
 H     -2.395543     -2.540169     -1.114906    0.00   0.000154151   0.000167531  -0.000097520
 H     -2.928542     -1.338936     -2.299659    0.00   0.000129416  -0.000044900  -0.000233007
 H     -1.205462     -1.725919     -2.144685    0.00   0.000018283  -0.000047204  -0.000020191
 H      0.566689     -2.535425      1.308116    0.00  -0.000253330   0.000148986  -0.000105104
 O      0.332671     -0.374501      0.440574    0.00   0.002409182  -0.000718280   0.005043068
 O      1.312061     -1.980047     -0.980662    0.00  -0.002015090   0.002478117   0.001249276
 C      1.638432     -2.960293     -0.350659    0.00  -0.002302916   0.000059838  -0.001184892
 H      2.315041     -3.766042     -0.644822    0.00  -0.000137104  -0.000087835  -0.000214770
 O      1.175896     -3.236600      0.891133    0.00  -0.004346897  -0.002323951  -0.002030478
26
 Energy =      -0.298795831792
 C      0.028118      2.031688      0.414540    0.00   0.001984842  -0.000271916  -0.001438469
 C     -1.403993      1.999671     -0.134703    0.00   0.000113209   0.000108407   0.000946671
 C     -1.641415      0.882973     -1.161705    0.00  -0.000649372  -0.001012655  -0.000660906
 C     -1.988917     -0.471823     -0.530326    0.00   0.000693262   0.000392323   0.000073365
 C     -0.951083     -0.955583      0.454419    0.00   0.001144205   0.000337776   0.001955400
 C      0.392391      0.824222      1.269618    0.00   0.001866372  -0.001797160  -0.001904250
 H     -2.464840      1.175800     -1.842761    0.00  -0.000116898  -0.000125391  -0.000294144
 H     -2.131861      1.924731      0.695181    0.00  -0.000247685  -0.000014718   0.000104078
 H     -1.610671      2.975924     -0.621097    0.00   0.000089494   0.000130739   0.000324321
 H      0.742629      2.088087     -0.435774    0.00   0.000242461   0.000058576  -0.000130641
 H      0.181556      2.956787      1.004649    0.00   0.000213944   0.000010091  -0.000161415
 H     -2.955093     -0.375987      0.035794    0.00   0.000133036   0.000116155  -0.000075288
 H     -0.247562      0.706490      2.160326    0.00   0.000194891  -0.000500464  -0.000215625
 H      1.456120      0.830829      1.576756    0.00   0.000106477   0.000025458  -0.000440635
 H     -0.740726      0.767830     -1.803008    0.00  -0.000174580  -0.000254789   0.000066553
 O     -1.101464     -1.861814      1.248864    0.00  -0.000493372   0.003031268   0.000541736
 C     -2.139321     -1.574724     -1.582998    0.00   0.000943064   0.000164681  -0.000909810
 H     -2.400843     -2.537057     -1.121442    0.00   0.000147242   0.000133672  -0.000077138
 H     -2.924922     -1.331951     -2.306458    0.00   0.000109121  -0.000059860  -0.000215414
 H     -1.203673     -1.724411     -2.143961    0.00   0.000006476  -0.000064622  -0.000003997
 H      0.568859     -2.545510      1.302673    0.00  -0.000249279   0.000148085  -0.000082287
 O      0.325090     -0.371586      0.450864    0.00   0.001922976  -0.000713876   0.004509323
 O      1.308371     -1.987496     -0.981230    0.00  -0.001825971   0.002463823   0.001212290
 C      1.643934     -2.965853     -0.353106    0.00  -0.002032462  -0.000081645  -0.001080831
 H      2.324904     -3.767111     -0.648886    0.00  -0.000112788  -0.000120990  -0.000204455
 O      1.187351     -3.242311      0.891144    0.00  -0.004008666  -0.002102969  -0.001838432
26
 Energy =      -0.299429861094
 C      0.027966      2.039195      0.410199    0.00   0.001741472  -0.000127464  -0.001243028
 C     -1.406293      1.999361     -0.132341    0.00   0.000250220   0.000115214   0.000770076
 C     -1.636669      0.883223     -1.161415    0.00  -0.000450742  -0.000893258  -0.000588661
 C     -1.991073     -0.470098     -0.530959    0.00   0.000691894   0.000210260   0.000059309
 C     -0.957366     -0.953978      0.458993    0.00   0.000967134   0.000269535   0.001660078
 C      0.396881      0.834106      1.266933    0.00   0.001662111  -0.001424447  -0.001615068
 H     -2.453243      1.176742     -1.850174    0.00  -0.000098671  -0.000109447  -0.000252130
 H     -2.129753      1.915379      0.700555    0.00  -0.000193368  -0.000012437   0.000080976
 H     -1.623590      2.975392     -0.614105    0.00   0.000082233   0.000111234   0.000270683
 H      0.738926      2.096888     -0.442763    0.00   0.000207888   0.000062095  -0.000111778
 H      0.180582      2.965826      0.998097    0.00   0.000182424   0.000012949  -0.000143092
 H     -2.959651     -0.372321      0.030362    0.00   0.000122334   0.000086376  -0.000065597
 H     -0.233643      0.724535      2.165281    0.00   0.000176694  -0.000415894  -0.000191953
 H      1.464464      0.838537      1.561382    0.00   0.000101695   0.000032944  -0.000367116
 H     -0.730558      0.765761     -1.794749    0.00  -0.000138317  -0.000218888   0.000058476
 O     -1.107264     -1.866888      1.245569    0.00  -0.000429970   0.002741538   0.000395830
 C     -2.139430     -1.571240     -1.585975    0.00   0.000834854  -0.000029722  -0.000760656
 H     -2.406167     -2.533432     -1.127285    0.00   0.000139831   0.000105609  -0.000059105
 H     -2.920458     -1.324731     -2.313134    0.00   0.000090077  -0.000070874  -0.000198253
 H     -1.201261     -1.723024     -2.142205    0.00  -0.000004505  -0.000076182   0.000010569
 H      0.570627     -2.556751      1.297345    0.00  -0.000242807   0.000147332  -0.000064241
 O      0.317905     -0.369091      0.461403    0.00   0.001513462  -0.000724737   0.004021975
 O      1.304036     -1.995417     -0.982006    0.00  -0.001671014   0.002459918   0.001171725
 C      1.649853     -2.971155     -0.355341    0.00  -0.001784413  -0.000213275  -0.000989333
 H      2.336405     -3.766976     -0.652367    0.00  -0.000088792  -0.000153032  -0.000193546
 O      1.199108     -3.248302      0.891164    0.00  -0.003661724  -0.001885347  -0.001656143
26
 Energy =      -0.299991035022
 C      0.027492      2.046407      0.405743    0.00   0.001513212  -0.000026754  -0.001065383
 C     -1.408749      1.999621     -0.130338    0.00   0.000354748   0.000111521   0.000593673
 C     -1.632235      0.883904     -1.161184    0.00  -0.000273650  -0.000765800  -0.000507717
 C     -1.992975     -0.467879     -0.531333    0.00   0.000670269   0.000068412   0.000047167
 C     -0.963294     -0.952400      0.463381    0.00   0.000809204   0.000204910   0.001388325
 C      0.400711      0.843678      1.264184    0.00   0.001481391  -0.001122450  -0.001331635
 H     -2.442257      1.177796     -1.857287    0.00  -0.000079333  -0.000092378  -0.000209298
 H     -2.128009      1.907325      0.705332    0.00  -0.000143189  -0.000010922   0.000060205
 H     -1.635889      2.975320     -0.607788    0.00   0.000075257   0.000092624   0.000217445
 H      0.735018      2.105103     -0.449790    0.00   0.000174455   0.000061634  -0.000094602
 H      0.179656      2.974485      0.991477    0.00   0.000154780   0.000014234  -0.000126710
 H     -2.963790     -0.368193      0.025432    0.00   0.000109879   0.000061945  -0.000055832
 H     -0.220872      0.742185      2.169631    0.00   0.000161069  -0.000341101  -0.000166557
 H      1.471758      0.846154      1.546772    0.00   0.000096605   0.000034618  -0.000299052
 H     -0.721048      0.764252     -1.786914    0.00  -0.000104480  -0.000182110   0.000049197
 O     -1.113026     -1.871982      1.241953    0.00  -0.000383301   0.002467209   0.000248033
 C     -2.139150     -1.567516     -1.588405    0.00   0.000728400  -0.000171408  -0.000628195
 H     -2.411558     -2.529328     -1.132412    0.00   0.000132012   0.000082798  -0.000043727
 H     -2.915153     -1.317332     -2.319684    0.00   0.000072533  -0.000078435  -0.000181484
 H     -1.198255     -1.721866     -2.139397    0.00  -0.000014074  -0.000082601   0.000023286
 H      0.571887     -2.569156      1.292068    0.00  -0.000234870   0.000147164  -0.000050363
 O      0.311175     -0.366971      0.472217    0.00   0.001178264  -0.000744163   0.003578882
 O      1.298980     -2.003906     -0.983057    0.00  -0.001547107   0.002461426   0.001128437
 C      1.656245     -2.976139     -0.357323    0.00  -0.001554441  -0.000331117  -0.000908506
 H      2.349796     -3.765419     -0.655086    0.00  -0.000064019  -0.000182730  -0.000181729
 O      1.211090     -3.254529      0.891180    0.00  -0.003313615  -0.001676527  -0.001483860
26
 Energy =      -0.300487991479
 C      0.026759      2.053288      0.401243    0.00   0.001301380   0.000037293  -0.000908153
 C     -1.411266      2.000491     -0.128773    0.00   0.000428789   0.000099379   0.000424233
 C     -1.628252      0.885011     -1.161014    0.00  -0.000121194  -0.000637167  -0.000423912
 C     -1.994611     -0.465220     -0.531458    0.00   0.000632706  -0.000038578   0.000037493
 C     -0.968786     -0.950841      0.467534    0.00   0.000668732   0.000145117   0.001142553
 C      0.403819      0.852930      1.261539    0.00   0.001324446  -0.000882003  -0.001058813
 H     -2.432238      1.178973     -1.863883    0.00  -0.000059860  -0.000074756  -0.000167687
 H     -2.126644      1.900825      0.709392    0.00  -0.000098390  -0.000010028   0.000042160
 H     -1.647261      2.975756     -0.602381    0.00   0.000068883   0.000075238   0.000166681
 H      0.731060      2.112595     -0.456717    0.00   0.000142508   0.000058280  -0.000079352
 H      0.178827      2.982760      0.984815    0.00   0.000130725   0.000014256  -0.000112636
 H     -2.967475     -0.363740      0.021066    0.00   0.000096470   0.000042235  -0.000046205
 H     -0.209491      0.759376      2.173440    0.00   0.000148190  -0.000275529  -0.000140000
 H      1.477917      0.853694      1.533292    0.00   0.000091237   0.000031472  -0.000236611
 H     -0.712484      0.763353     -1.779752    0.00  -0.000074114  -0.000146241   0.000039062
 O     -1.118649     -1.877092      1.237965    0.00  -0.000353600   0.002208470   0.000101948
 C     -2.138510     -1.563620     -1.590294    0.00   0.000627141  -0.000268038  -0.000512504
 H     -2.417050     -2.524803     -1.136813    0.00   0.000123896   0.000064551  -0.000031139
 H     -2.909037     -1.309824     -2.326095    0.00   0.000056733  -0.000083005  -0.000165065
 H     -1.194711     -1.721037     -2.135555    0.00  -0.000021765  -0.000084669   0.000033949
 H      0.572510     -2.582725      1.286774    0.00  -0.000226303   0.000147580  -0.000040262
 O      0.304950     -0.365160      0.483311    0.00   0.000913179  -0.000765878   0.003178529
 O      1.293134     -2.013053     -0.984450    0.00  -0.001451753   0.002463734   0.001083532
 C      1.663144     -2.980737     -0.359012    0.00  -0.001339266  -0.000431719  -0.000836880
 H      2.365276     -3.762208     -0.656865    0.00  -0.000037466  -0.000208905  -0.000168657
 O      1.223204     -3.260931      0.891182    0.00  -0.002971304  -0.001481086  -0.001322261
26
 Energy =       -0.30092937513
 C      0.025850      2.059793      0.396771    0.00   0.001107722   0.000072693  -0.000773058
 C     -1.413742      2.001987     -0.127719    0.00   0.000475683   0.000081334   0.000268328
 C     -1.624844      0.886525     -1.160911    0.00   0.000004356  -0.000514531  -0.000343090
 C     -1.995969     -0.462200     -0.531342    0.00   0.000584085  -0.000116511   0.000030243
 C     -0.973755     -0.949298      0.471403    0.00   0.000544337   0.000091333   0.000925018
 C      0.406142      0.861854      1.259182    0.00   0.001191270  -0.000693768  -0.000801712
 H     -2.423512      1.180270     -1.869770    0.00  -0.000041390  -0.000057471  -0.000129247
 H     -2.125652      1.896086      0.712639    0.00  -0.000059928  -0.000009609   0.000026961
 H     -1.657422      2.976737     -0.598097    0.00   0.000063185   0.000059440   0.000120357
 H      0.727231      2.119208     -0.463410    0.00   0.000112446   0.000053232  -0.000066122
 H      0.178166      2.990652      0.978119    0.00   0.000109974   0.000013374  -0.000101200
 H     -2.970674     -0.359111      0.017324    0.00   0.000082958   0.000026576  -0.000037024
 H     -0.199777      0.776040      2.176775    0.00   0.000138077  -0.000218632  -0.000113037
 H      1.482855      0.861162      1.521353    0.00   0.000085783   0.000024623  -0.000180063
 H     -0.705122      0.763090     -1.773504    0.00  -0.000048035  -0.000112992   0.000028696
 O     -1.124005     -1.882212      1.233565    0.00  -0.000340892   0.001966146  -0.000038749
 C     -2.137550     -1.559630     -1.591658    0.00   0.000534304  -0.000327764  -0.000413126
 H     -2.422649     -2.519931     -1.140501    0.00   0.000115583   0.000050116  -0.000021281
 H     -2.902185     -1.302292     -2.332333    0.00   0.000042934  -0.000084994  -0.000148983
 H     -1.190710     -1.720610     -2.130740    0.00  -0.000027287  -0.000083243   0.000042370
 H      0.572366     -2.597433      1.281403    0.00  -0.000217742   0.000148251  -0.000033651
 O      0.299270     -0.363576      0.494668    0.00   0.000711758  -0.000784907   0.002820092
 O      1.286443     -2.022932     -0.986257    0.00  -0.001382694   0.002462682   0.001038020
 C      1.670548     -2.984866     -0.360370    0.00  -0.001136948  -0.000512204  -0.000773239
 H      2.382956     -3.757118     -0.657536    0.00  -0.000008475  -0.000230467  -0.000154029
 O      1.235336     -3.267429      0.891166    0.00  -0.002641066  -0.001302706  -0.001172475
26
 Energy =      -0.301323723904
 C      0.024858      2.065883      0.392394    0.00   0.000934193   0.000087487  -0.000660463
 C     -1.416073      2.004099     -0.127221    0.00   0.000499759   0.000060184   0.000131240
 C     -1.622096      0.888403     -1.160876    0.00   0.000101952  -0.000404231  -0.000270247
 C     -1.997042     -0.458904     -0.530999    0.00   0.000529302  -0.000171270   0.000025027
 C     -0.978125     -0.947780      0.474941    0.00   0.000434956   0.000044427   0.000737111
 C      0.407614      0.870442      1.257294    0.00   0.001081377  -0.000548685  -0.000565289
 H     -2.416331      1.181671     -1.874798    0.00  -0.000025054  -0.000041571  -0.000095527
 H     -2.125007      1.893226      0.715014    0.00  -0.000028320  -0.000009525   0.000014438
 H     -1.666139      2.978275     -0.595081    0.00   0.000058001   0.000045578   0.000080030
 H      0.723705      2.124767     -0.469748    0.00   0.000084750   0.000047583  -0.000054814
 H      0.177760      2.998163      0.971378    0.00   0.000092244   0.000011973  -0.000092524
 H     -2.973357     -0.354450      0.014260    0.00   0.000070107   0.000014274  -0.000028626
 H     -0.192017      0.792108      2.179704    0.00   0.000130569  -0.000169865  -0.000086655
 H      1.486490      0.868552      1.511376    0.00   0.000080579   0.000015362  -0.000129677
 H     -0.699140      0.763457     -1.768356    0.00  -0.000026708  -0.000083726   0.000018896
 O     -1.128947     -1.887344      1.228732    0.00  -0.000344253   0.001741876  -0.000170561
 C     -2.136327     -1.555620     -1.592526    0.00   0.000452522  -0.000358738  -0.000329029
 H     -2.428336     -2.514803     -1.143504    0.00   0.000107158   0.000038760  -0.000013873
 H     -2.894723     -1.294827     -2.338345    0.00   0.000031389  -0.000084741  -0.000133293
 H     -1.186369     -1.720621     -2.125072    0.00  -0.000030585  -0.000079210   0.000048392
 H      0.571348     -2.613206      1.275909    0.00  -0.000209526   0.000148639  -0.000030188
 O      0.294154     -0.362119      0.506233    0.00   0.000565354  -0.000798279   0.002503307
 O      1.278893     -2.033584     -0.988538    0.00  -0.001337269   0.002454792   0.000992343
 C      1.678404     -2.988445     -0.361367    0.00  -0.000947090  -0.000570520  -0.000716451
 H      2.402800     -3.749968     -0.656971    0.00   0.000022929  -0.000246479  -0.000137730
 O      1.247346     -3.273913      0.891137    0.00  -0.002328338  -0.001144096  -0.001035836
26
 Energy =      -0.301679189024
 C      0.023874      2.071517      0.388166    0.00   0.000782458   0.000088823  -0.000569121
 C     -1.418167      2.006778     -0.127292    0.00   0.000505894   0.000038618   0.000015995
 C     -1.620034      0.890587     -1.160910    0.00   0.000172172  -0.000310679  -0.000208829
 C     -1.997825     -0.455429     -0.530446    0.00   0.000472685  -0.000208427   0.000021306
 C     -0.981838     -0.946307      0.478118    0.00   0.000339713   0.000004721   0.000578845
 C      0.408191      0.878692      1.256039    0.00   0.000993499  -0.000438419  -0.000353667
 H     -2.410814      1.183146     -1.878894    0.00  -0.000011744  -0.000027990  -0.000067450
 H     -2.124664      1.892250      0.716501    0.00  -0.000003526  -0.000009643   0.000004213
 H     -1.673268      2.980352     -0.593398    0.00   0.000053052   0.000033906   0.000046562
 H      0.720631      2.129108     -0.475643    0.00   0.000059923   0.000042129  -0.000045154
 H      0.177705      3.005304      0.964559    0.00   0.000077257   0.000010424  -0.000086414
 H     -2.975508     -0.349879      0.011904    0.00   0.000058489   0.000004651  -0.000021290
 H     -0.186462      0.807520      2.182291    0.00   0.000125318  -0.000128655  -0.000062020
 H      1.488755      0.875859      1.503731    0.00   0.000076051   0.000005108  -0.000085601
 H     -0.694606      0.764404     -1.764410    0.00  -0.000010183  -0.000059259   0.000010422
 O     -1.133320     -1.892490      1.223466    0.00  -0.000361422   0.001537825  -0.000290575
 C     -2.134907     -1.551662     -1.592942    0.00   0.000383429  -0.000368551  -0.000258593
 H     -2.434051     -2.509521     -1.145866    0.00   0.000098696   0.000029833  -0.000008454
 H     -2.886838     -1.287523     -2.344050    0.00   0.000022290  -0.000082543  -0.000118112
 H     -1.181832     -1.721060     -2.118730    0.00  -0.000031856  -0.000073428   0.000051952
 H      0.569402     -2.629900      1.270269    0.00  -0.000201656   0.000148132  -0.000029339
 O      0.289607     -0.360688      0.517930    0.00   0.000463819  -0.000805293   0.002228122
 O      1.270515     -2.045013     -0.991334    0.00  -0.001311844   0.002437613   0.000946053
 C      1.686608     -2.991402     -0.361993    0.00  -0.000770825  -0.000605793  -0.000665302
 H      2.424594     -3.740662     -0.655107    0.00   0.000055748  -0.000256285  -0.000119996
 O      1.259091     -3.280263      0.891104    0.00  -0.002037437  -0.001006817  -0.000913554
26
 Energy =       -0.30200317143
 C      0.022975      2.076678      0.384123    0.00   0.000653311   0.000082314  -0.000496269
 C     -1.419959      2.009950     -0.127916    0.00   0.000499025   0.000018850  -0.000077059
 C     -1.618622      0.892999     -1.161010    0.00   0.000217308  -0.000235744  -0.000160407
 C     -1.998321     -0.451869     -0.529703    0.00   0.000417590  -0.000232891   0.000018569
 C     -0.984861     -0.944901      0.480921    0.00   0.000257738  -0.000028089   0.000448703
 C      0.407846      0.886616      1.255535    0.00   0.000925472  -0.000355692  -0.000169382
 H     -2.406932      1.184647     -1.882067    0.00  -0.000001901  -0.000017275  -0.000045247
 H     -2.124563      1.893049      0.717134    0.00   0.000015039  -0.000009821  -0.000004157
 H     -1.678779      2.982909     -0.593022    0.00   0.000048115   0.000024508   0.000019982
 H      0.718112      2.132119     -0.481041    0.00   0.000038386   0.000037281  -0.000036757
 H      0.178073      3.012095      0.957623    0.00   0.000064725   0.000009030  -0.000082376
 H     -2.977120     -0.345486      0.010258    0.00   0.000048433  -0.000002910  -0.000015177
 H     -0.183277      0.822247      2.184594    0.00   0.000121839  -0.000094365  -0.000040266
 H      1.489631      0.883081      1.498673    0.00   0.000072585  -0.000004757  -0.000047767
 H     -0.691456      0.765839     -1.761662    0.00   0.000001865  -0.000039795   0.000003745
 O     -1.136990     -1.897657      1.217788    0.00  -0.000388928   0.001355966  -0.000396846
 C     -2.133369     -1.547812     -1.592955    0.00   0.000327403  -0.000363754  -0.000199730
 H     -2.439713     -2.504190     -1.147648    0.00   0.000090282   0.000022795  -0.000004463
 H     -2.878758     -1.280470     -2.349359    0.00   0.000015679  -0.000078701  -0.000103595
 H     -1.177265     -1.721873     -2.111934    0.00  -0.000031489  -0.000066653   0.000053158
 H      0.566555     -2.647302      1.264487    0.00  -0.000193846   0.000146193  -0.000030328
 O      0.285603     -0.359191      0.529674    0.00   0.000396674  -0.000807085   0.001994169
 O      1.261399     -2.057185     -0.994666    0.00  -0.001301733   0.002410003   0.000897887
 C      1.695008     -2.993699     -0.362261    0.00  -0.000610426  -0.000618541  -0.000618535
 H      2.447945     -3.729225     -0.651961    0.00   0.000088040  -0.000259666  -0.000101489
 O      1.270428     -3.286343      0.891077    0.00  -0.001771188  -0.000891203  -0.000806363
26
 Energy =      -0.302302015959
 C      0.022211      2.081373      0.380285    0.00   0.000546365   0.000071857  -0.000438259
 C     -1.421414      2.013518     -0.129046    0.00   0.000483641   0.000002368  -0.000149883
 C     -1.617765      0.895552     -1.161169    0.00   0.000241035  -0.000178898  -0.000124893
 C     -1.998536     -0.448303     -0.528790    0.00   0.000366196  -0.000248647   0.000016442
 C     -0.987198     -0.943589      0.483360    0.00   0.000188085  -0.000054758   0.000343984
 C      0.406594      0.894240      1.255840    0.00   0.000874424  -0.000294395  -0.000012947
 H     -2.404507      1.186124     -1.884401    0.00   0.000004568  -0.000009445  -0.000028560
 H     -2.124646      1.895418      0.716981    0.00   0.000028376  -0.000009910  -0.000011074
 H     -1.682749      2.985859     -0.593862    0.00   0.000043123   0.000017290  -0.000000378
 H      0.716199      2.133767     -0.485922    0.00   0.000020344   0.000033123  -0.000029267
 H      0.178905      3.018571      0.950535    0.00   0.000054382   0.000007974  -0.000079736
 H     -2.978205     -0.341318      0.009297    0.00   0.000040033  -0.000008929  -0.000010307
 H     -0.182508      0.836297      2.186667    0.00   0.000119579  -0.000066288  -0.000022198
 H      1.489146      0.890236      1.496301    0.00   0.000070427  -0.000013173  -0.000015854
 H     -0.689523      0.767641     -1.760007    0.00   0.000010011  -0.000025040  -0.000001068
 O     -1.139861     -1.902862      1.211737    0.00  -0.000422699   0.001197325  -0.000488670
 C     -2.131796     -1.544109     -1.592627    0.00   0.000283634  -0.000349585  -0.000150109
 H     -2.445236     -2.498904     -1.148912    0.00   0.000082038   0.000017209  -0.000001362
 H     -2.870727     -1.273733     -2.354184    0.00   0.000011387  -0.000073566  -0.000089876
 H     -1.172828     -1.722971     -2.104925    0.00  -0.000029958  -0.000059472   0.000052339
 H      0.562914     -2.665146      1.258589    0.00  -0.000185682   0.000142475  -0.000032260
 O      0.282100     -0.357556      0.541400    0.00   0.000354419  -0.000805754   0.001800312
 O      1.251679     -2.070035     -0.998536    0.00  -0.001301862   0.002372180   0.000846183
 C      1.703432     -2.995339     -0.362210    0.00  -0.000468510  -0.000610738  -0.000575087
 H      2.472330     -3.715817     -0.647641    0.00   0.000117373  -0.000256897  -0.000083180
 O      1.281250     -3.292028      0.891070    0.00  -0.001530730  -0.000796306  -0.000714291
26
 Energy =      -0.302580879653
 C      0.021608      2.085634      0.376664    0.00   0.000460068   0.000059847  -0.000391279
 C     -1.422528      2.017381     -0.130625    0.00   0.000463489  -0.000010091  -0.000205850
 C     -1.617328      0.898164     -1.161381    0.00   0.000247716  -0.000137920  -0.000101022
 C     -1.998485     -0.444794     -0.527733    0.00   0.000319752  -0.000258688   0.000014713
 C     -0.988882     -0.942390      0.485465    0.00   0.000129661  -0.000076359   0.000261337
 C      0.404481      0.901610      1.256962    0.00   0.000837246  -0.000249554   0.000117071
 H     -2.403271      1.187517     -1.886036    0.00   0.000008135  -0.000004113  -0.000016692
 H     -2.124863      1.899105      0.716123    0.00   0.000037632  -0.000009777  -0.000016830
 H     -1.685329      2.989100     -0.595785    0.00   0.000038175   0.000012002  -0.000015619
 H      0.714891      2.134107     -0.490285    0.00   0.000005749   0.000029523  -0.000022436
 H      0.180188      3.024771      0.943284    0.00   0.000045964   0.000007319  -0.000077836
 H     -2.978790     -0.337376      0.008967    0.00   0.000033231  -0.000013806  -0.000006576
 H     -0.184077      0.849721      2.188555    0.00   0.000118078  -0.000043656  -0.000008080
 H      1.487376      0.897355      1.496558    0.00   0.000069587  -0.000019577   0.000010634
 H     -0.688566      0.769677     -1.759276    0.00   0.000014933  -0.000014378  -0.000004281
 O     -1.141889     -1.908118      1.205357    0.00  -0.000458767   0.001061613  -0.000566444
 C     -2.130264     -1.540574     -1.592011    0.00   0.000250461  -0.000329947  -0.000107432
 H     -2.450544     -2.493738     -1.149712    0.00   0.000074115   0.000012722   0.000001273
 H     -2.862979     -1.267355     -2.358448    0.00   0.000009047  -0.000067548  -0.000077038
 H     -1.168667     -1.724260     -2.097926    0.00  -0.000027698  -0.000052290   0.000050010
 H      0.558646     -2.683140      1.252621    0.00  -0.000176772   0.000136915  -0.000034307
 O      0.279036     -0.355735      0.553072    0.00   0.000329370  -0.000803366   0.001644361
 O      1.241527     -2.083482     -1.002929    0.00  -0.001307766   0.002325453   0.000789472
 C      1.711705     -2.996371     -0.361904    0.00  -0.000347247  -0.000585331  -0.000534340
 H      2.497172     -3.700720     -0.642324    0.00   0.000141526  -0.000248747  -0.000066110
 O      1.291487     -3.297210      0.891095    0.00  -0.001315683  -0.000720246  -0.000636701
26
 Energy =       -0.30284379789
 C      0.021158      2.089513      0.373261    0.00   0.000392095   0.000047627  -0.000352050
 C     -1.423319      2.021447     -0.132597    0.00   0.000441400  -0.000018423  -0.000248751
 C     -1.617171      0.900762     -1.161642    0.00   0.000241701  -0.000109847  -0.000086996
 C     -1.998186     -0.441384     -0.526549    0.00   0.000278790  -0.000265105   0.000013321
 C     -0.989970     -0.941312      0.487281    0.00   0.000081358  -0.000093975   0.000197340
 C      0.401573      0.908778      1.258866    0.00   0.000811071  -0.000217182   0.000223527
 H     -2.402914      1.188776     -1.887140    0.00   0.000009454  -0.000000693  -0.000008795
 H     -2.125181      1.903856      0.714638    0.00   0.000043913  -0.000009333  -0.000021657
 H     -1.686709      2.992533     -0.598655    0.00   0.000033420   0.000008320  -0.000026934
 H      0.714145      2.133267     -0.494136    0.00  -0.000005675   0.000026284  -0.000016150
 H      0.181869      3.030740      0.935888    0.00   0.000039243   0.000007026  -0.000076150
 H     -2.978907     -0.333634      0.009206    0.00   0.000027879  -0.000017837  -0.000003815
 H     -0.187807      0.862600      2.190304    0.00   0.000117007  -0.000025685   0.000002355
 H      1.484428      0.904477      1.499262    0.00   0.000069888  -0.000023919   0.000032317
 H     -0.688317      0.771818     -1.759271    0.00   0.000017305  -0.000007068  -0.000006312
 O     -1.143078     -1.913440      1.198688    0.00  -0.000493843   0.000947310  -0.000631325
 C     -2.128842     -1.537216     -1.591153    0.00   0.000225866  -0.000307594  -0.000069661
 H     -2.455585     -2.488747     -1.150093    0.00   0.000066671   0.000009048   0.000003726
 H     -2.855711     -1.261359     -2.362097    0.00   0.000008180  -0.000061063  -0.000065102
 H     -1.164899     -1.725650     -2.091118    0.00  -0.000025052  -0.000045354   0.000046763
 H      0.553961     -2.700993      1.246634    0.00  -0.000166893   0.000129700  -0.000035867
 O      0.276337     -0.353703      0.564698    0.00   0.000315925  -0.000801414   0.001523186
 O      1.231124     -2.097443     -1.007825    0.00  -0.001316322   0.002271813   0.000726865
 C      1.719678     -2.996886     -0.361425    0.00  -0.000247825  -0.000545822  -0.000496203
 H      2.521911     -3.684303     -0.636230    0.00   0.000159021  -0.000236307  -0.000051123
 O      1.301111     -3.301810      0.891154    0.00  -0.001124576  -0.000660509  -0.000572511
26
 Energy =      -0.303093886384
 C      0.020842      2.093074      0.370078    0.00   0.000339779   0.000035890  -0.000318121
 C     -1.423818      2.025642     -0.134915    0.00   0.000419351  -0.000022950  -0.000282105
 C     -1.617158      0.903287     -1.161955    0.00   0.000226839  -0.000091688  -0.000080901
 C     -1.997658     -0.438093     -0.525258    0.00   0.000243425  -0.000269274   0.000012301
 C     -0.990534     -0.940357      0.488861    0.00   0.000042122  -0.000108562   0.000148851
 C      0.397951      0.915805      1.261493    0.00   0.000793551  -0.000194129   0.000310026
 H     -2.403138      1.189855     -1.887883    0.00   0.000009162   0.000001379  -0.000004044
 H     -2.125589      1.909443      0.712589    0.00   0.000048144  -0.000008536  -0.000025755
 H     -1.687077      2.996069     -0.602348    0.00   0.000028984   0.000005909  -0.000035397
 H      0.713905      2.131417     -0.497487    0.00  -0.000014348   0.000023236  -0.000010385
 H      0.183860      3.036521      0.928384    0.00   0.000034005   0.000007005  -0.000074354
 H     -2.978600     -0.330041      0.009942    0.00   0.000023801  -0.000021226  -0.000001835
 H     -0.193463      0.875036      2.191954    0.00   0.000116192  -0.000011614   0.000009716
 H      1.480422      0.911650      1.504154    0.00   0.000071063  -0.000026489   0.000049861
 H     -0.688521      0.773950     -1.759802    0.00   0.000017734  -0.000002383  -0.000007560
 O     -1.143472     -1.918837      1.191770    0.00  -0.000525565   0.000852076  -0.000684827
 C     -2.127585     -1.534034     -1.590084    0.00   0.000207881  -0.000284398  -0.000035155
 H     -2.460329     -2.483962     -1.150075    0.00   0.000059834   0.000005962   0.000006161
 H     -2.849075     -1.255751     -2.365095    0.00   0.000008305  -0.000054487  -0.000054043
 H     -1.161608     -1.727075     -2.084637    0.00  -0.000022259  -0.000038802   0.000043151
 H      0.549070     -2.718430      1.240679    0.00  -0.000156007   0.000121193  -0.000036615
 O      0.273927     -0.351453      0.576313    0.00   0.000310349  -0.000800677   0.001433030
 O      1.220654     -2.111846     -1.013200    0.00  -0.001325825   0.002213519   0.000658162
 C      1.727236     -2.997005     -0.360860    0.00  -0.000170384  -0.000495793  -0.000460963
 H      2.546063     -3.666989     -0.629598    0.00   0.000169280  -0.000220816  -0.000038742
 O      1.310130     -3.305773      0.891248    0.00  -0.000955412  -0.000614345  -0.000520458
26
 Energy =      -0.303333589485
 C      0.020628      2.096382      0.367115    0.00   0.000300453   0.000024974  -0.000287884
 C     -1.424059      2.029908     -0.137543    0.00   0.000398604  -0.000024226  -0.000308831
 C     -1.617173      0.905695     -1.162324    0.00   0.000206255  -0.000080834  -0.000080980
 C     -1.996926     -0.434926     -0.523872    0.00   0.000213521  -0.000272086   0.000011754
 C     -0.990650     -0.939513      0.490259    0.00   0.000010986  -0.000120898   0.000113130
 C      0.393693      0.922749      1.264773    0.00   0.000782948  -0.000177939   0.000380328
 H     -2.403672      1.190720     -1.888423    0.00   0.000007784   0.000002565  -0.000001706
 H     -2.126084      1.915677      0.710019    0.00   0.000051030  -0.000007404  -0.000029302
 H     -1.686607      2.999641     -0.606771    0.00   0.000024931   0.000004460  -0.000041867
 H      0.714108      2.128744     -0.500340    0.00  -0.000020754   0.000020274  -0.000005149
 H      0.186062      3.042152      0.920824    0.00   0.000030055   0.000007152  -0.000072307
 H     -2.977913     -0.326540      0.011108    0.00   0.000020822  -0.000024120  -0.000000464
 H     -0.200791      0.887133      2.193546    0.00   0.000115575  -0.000000736   0.000014726
 H      1.475481      0.918916      1.510950    0.00   0.000072834  -0.000027717   0.000063941
 H     -0.688953      0.775980     -1.760697    0.00   0.000016736   0.000000316  -0.000008330
 O     -1.143135     -1.924310      1.184638    0.00  -0.000552475   0.000773217  -0.000728502
 C     -2.126538     -1.531024     -1.588824    0.00   0.000194827  -0.000261587  -0.000002688
 H     -2.464772     -2.479403     -1.149664    0.00   0.000053688   0.000003299   0.000008659
 H     -2.843181     -1.250530     -2.367424    0.00   0.000009015  -0.000048110  -0.000043816
 H     -1.158854     -1.728488     -2.078561    0.00  -0.000019470  -0.000032706   0.000039614
 H      0.544176     -2.735212      1.234800    0.00  -0.000144243   0.000111841  -0.000036470
 O      0.271728     -0.348988      0.587976    0.00   0.000310309  -0.000801374   0.001369869
 O      1.210295     -2.126629     -1.019038    0.00  -0.001335646   0.002152791   0.000583786
 C      1.734305     -2.996868     -0.360302    0.00  -0.000114175  -0.000438617  -0.000429065
 H      2.569235     -3.649221     -0.622662    0.00   0.000172500  -0.000203493  -0.000029157
 O      1.318573     -3.309068      0.891370    0.00  -0.000806108  -0.000579042  -0.000479289
26
 Energy =       -0.30356489942
 C      0.020480      2.099496      0.364373    0.00   0.000271632   0.000015017  -0.000260402
 C     -1.424079      2.034205     -0.140456    0.00   0.000379882  -0.000022890  -0.000331180
 C     -1.617121      0.907956     -1.162757    0.00   0.000182356  -0.000075193  -0.000085704
 C     -1.996016     -0.431880     -0.522402    0.00   0.000188835  -0.000274057   0.000011771
 C     -0.990398     -0.938761      0.491528    0.00  -0.000012958  -0.000131586   0.000087877
 C      0.388874      0.929659      1.268634    0.00   0.000778000  -0.000166689   0.000437946
 H     -2.404298      1.191346     -1.888898    0.00   0.000005711   0.000003182  -0.000001170
 H     -2.126677      1.922411      0.706957    0.00   0.000053074  -0.000005985  -0.000032458
 H     -1.685442      3.003195     -0.611846    0.00   0.000021275   0.000003716  -0.000046989
 H      0.714689      2.125431     -0.502698    0.00  -0.000025367   0.000017353  -0.000000440
 H      0.188377      3.047669      0.913265    0.00   0.000027192   0.000007383  -0.000070010
 H     -2.976894     -0.323066      0.012640    0.00   0.000018775  -0.000026623   0.000000450
 H     -0.209541      0.898990      2.195111    0.00   0.000115181   0.000007587   0.000018065
 H      1.469717      0.926310      1.519364    0.00   0.000074974  -0.000028034   0.000075197
 H     -0.689430      0.777833     -1.761814    0.00   0.000014732   0.000001566  -0.000008821
 O     -1.142151     -1.929849      1.177326    0.00  -0.000573879   0.000708016  -0.000763775
 C     -2.125732     -1.528181     -1.587379    0.00   0.000185407  -0.000239952   0.000028581
 H     -2.468928     -2.475072     -1.148854    0.00   0.000048276   0.000000938   0.000011243
 H     -2.838095     -1.245693     -2.369080    0.00   0.000009992  -0.000042140  -0.000034369
 H     -1.156665     -1.729865     -2.072930    0.00  -0.000016784  -0.000027092   0.000036456
 H      0.539451     -2.751128      1.229033    0.00  -0.000131843   0.000102096  -0.000035521
 O      0.269664     -0.346319      0.599748    0.00   0.000314387  -0.000803375   0.001329623
 O      1.200209     -2.141733     -1.025318    0.00  -0.001345735   0.002091612   0.000504687
 C      1.740844     -2.996617     -0.359835    0.00  -0.000077778  -0.000377315  -0.000400906
 H      2.591140     -3.631438     -0.615641    0.00   0.000169426  -0.000185427  -0.000022289
 O      1.326481     -3.311688      0.891505    0.00  -0.000674763  -0.000552106  -0.000447862
26
 Energy =      -0.303789520486
 C      0.020365      2.102467      0.361851    0.00   0.000251129   0.000006073  -0.000235204
 C     -1.423911      2.038502     -0.143637    0.00   0.000363520  -0.000019588  -0.000350810
 C     -1.616932      0.910049     -1.163261    0.00   0.000156904  -0.000073154  -0.000093817
 C     -1.994956     -0.428943     -0.520856    0.00   0.000168950  -0.000275580   0.000012460
 C     -0.989851     -0.938079      0.492720    0.00  -0.000030536  -0.000141029   0.000071066
 C      0.383559      0.936577      1.273009    0.00   0.000777759  -0.000158879   0.000485873
 H     -2.404839      1.191721     -1.889420    0.00   0.000003226   0.000003449  -0.000001930
 H     -2.127380      1.929530      0.703424    0.00   0.000054623  -0.000004348  -0.000035359
 H     -1.683700      3.006692     -0.617519    0.00   0.000017989   0.000003467  -0.000051219
 H      0.715592      2.121642     -0.504568    0.00  -0.000028620   0.000014476   0.000003756
 H      0.190714      3.053098      0.905764    0.00   0.000025227   0.000007636  -0.000067536
 H     -2.975591     -0.319562      0.014479    0.00   0.000017510  -0.000028813   0.000001020
 H     -0.219485      0.910692      2.196677    0.00   0.000115034   0.000013921   0.000020292
 H      1.463231      0.933855      1.529134    0.00   0.000077317  -0.000027789   0.000084219
 H     -0.689807      0.779453     -1.763041    0.00   0.000012055   0.000001788  -0.000009147
 O     -1.140603     -1.935436      1.169870    0.00  -0.000589640   0.000653947  -0.000791914
 C     -2.125192     -1.525500     -1.585751    0.00   0.000178669  -0.000219930   0.000059158
 H     -2.472822     -2.470968     -1.147633    0.00   0.000043596  -0.000001195   0.000013916
 H     -2.833848     -1.241233     -2.370072    0.00   0.000011041  -0.000036700  -0.000025651
 H     -1.155058     -1.731195     -2.067743    0.00  -0.000014252  -0.000021973   0.000033854
 H      0.535035     -2.766006      1.223398    0.00  -0.000119133   0.000092357  -0.000033984
 O      0.267666     -0.343457      0.611685    0.00   0.000321686  -0.000806342   0.001308424
 O      1.190540     -2.157107     -1.032024    0.00  -0.001356237   0.002031517   0.000422244
 C      1.746848     -2.996396     -0.359536    0.00  -0.000059210  -0.000314458  -0.000376744
 H      2.611590     -3.614050     -0.608727    0.00   0.000161150  -0.000167480  -0.000017849
 O      1.333899     -3.313639      0.891632    0.00  -0.000559758  -0.000531370  -0.000425119
26
 Energy =      -0.304008958361
 C      0.020255      2.105337      0.359547    0.00   0.000237021  -0.000001839  -0.000212086
 C     -1.423584      2.042782     -0.147072    0.00   0.000349566  -0.000014905  -0.000368906
 C     -1.616555      0.911964     -1.163844    0.00   0.000131154  -0.000073522  -0.000104275
 C     -1.993776     -0.426100     -0.519242    0.00   0.000153437  -0.000276827   0.000013843
 C     -0.989081     -0.937443      0.493876    0.00  -0.000042617  -0.000149546   0.000060987
 C      0.377806      0.943529      1.277833    0.00   0.000781392  -0.000153305   0.000526544
 H     -2.405167      1.191836     -1.890080    0.00   0.000000522   0.000003497  -0.000003592
 H     -2.128203      1.936950      0.699435    0.00   0.000055909  -0.000002566  -0.000038112
 H     -1.681470      3.010107     -0.623741    0.00   0.000015027   0.000003549  -0.000054878
 H      0.716770      2.117517     -0.505955    0.00  -0.000030884   0.000011669   0.000007478
 H      0.192997      3.058455      0.898369    0.00   0.000023973   0.000007873  -0.000064985
 H     -2.974053     -0.315977      0.016575    0.00   0.000016891  -0.000030752   0.000001343
 H     -0.230422      0.922306      2.198263    0.00   0.000115167   0.000018746   0.000021820
 H      1.456109      0.941563      1.540025    0.00   0.000079750  -0.000027237   0.000091518
 H     -0.689978      0.780797     -1.764293    0.00   0.000008971   0.000001315  -0.000009365
 O     -1.138578     -1.941043      1.162308    0.00  -0.000600054   0.000608780  -0.000814008
 C     -2.124929     -1.522975     -1.583936    0.00   0.000173970  -0.000201748   0.000089316
 H     -2.476487     -2.467083     -1.145985    0.00   0.000039632  -0.000003149   0.000016656
 H     -2.830445     -1.237142     -2.370421    0.00   0.000012029  -0.000031853  -0.000017611
 H     -1.154026     -1.732482     -2.062981    0.00  -0.000011908  -0.000017329   0.000031886
 H      0.531034     -2.779720      1.217910    0.00  -0.000106468   0.000082934  -0.000032123
 O      0.265671     -0.340423      0.623832    0.00   0.000331536  -0.000809859   0.001302487
 O      1.181413     -2.172695     -1.039128    0.00  -0.001367149   0.001973470   0.000338216
 C      1.752333     -2.996333     -0.359472    0.00  -0.000056072  -0.000252140  -0.000356628
 H      2.630480     -3.597419     -0.602085    0.00   0.000148936  -0.000150276  -0.000015422
 O      1.340873     -3.314950      0.891731    0.00  -0.000459732  -0.000514980  -0.000410103
26
 Energy =      -0.304224547967
 C      0.020126      2.108136      0.357454    0.00   0.000227632  -0.000008743  -0.000190947
 C     -1.423118      2.047030     -0.150750    0.00   0.000337872  -0.000009347  -0.000386257
 C     -1.615960      0.913697     -1.164512    0.00   0.000105941  -0.000075400  -0.000116254
 C     -1.992504     -0.423335     -0.517563    0.00   0.000141768  -0.000277965   0.000015930
 C     -0.988153     -0.936826      0.495035    0.00  -0.000050067  -0.000157286   0.000056088
 C      0.371664      0.950535      1.283045    0.00   0.000788102  -0.000148986   0.000561766
 H     -2.405193      1.191697     -1.890942    0.00  -0.000002273   0.000003408  -0.000005842
 H     -2.129153      1.944608      0.695002    0.00   0.000057073  -0.000000711  -0.000040793
 H     -1.678827      3.013420     -0.630474    0.00   0.000012338   0.000003835  -0.000058186
 H      0.718183      2.113164     -0.506870    0.00  -0.000032457   0.000008963   0.000010776
 H      0.195175      3.063754      0.891117    0.00   0.000023251   0.000008078  -0.000062457
 H     -2.972326     -0.312268      0.018880    0.00   0.000016787  -0.000032489   0.000001486
 H     -0.242181      0.933881      2.199877    0.00   0.000115573   0.000022475   0.000022931
 H      1.448427      0.949437      1.551831    0.00   0.000082195  -0.000026536   0.000097516
 H     -0.689870      0.781842     -1.765508    0.00   0.000005671   0.000000397  -0.000009500
 O     -1.136161     -1.946636      1.154679    0.00  -0.000605656   0.000570573  -0.000831023
 C     -2.124951     -1.520602     -1.581926    0.00   0.000170861  -0.000185398   0.000119141
 H     -2.479961     -2.463403     -1.143904    0.00   0.000036339  -0.000004954   0.000019434
 H     -2.827866     -1.233408     -2.370153    0.00   0.000012902  -0.000027602  -0.000010203
 H     -1.153555     -1.733733     -2.058601    0.00  -0.000009758  -0.000013137   0.000030557
 H      0.527515     -2.792190      1.212570    0.00  -0.000094201   0.000074039  -0.000030215
 O      0.263626     -0.337230      0.636211    0.00   0.000343311  -0.000813417   0.001308233
 O      1.172922     -2.188441     -1.046597    0.00  -0.001378178   0.001917761   0.000254601
 C      1.757336     -2.996534     -0.359691    0.00  -0.000065598  -0.000191930  -0.000340412
 H      2.647782     -3.581847     -0.595845    0.00   0.000134094  -0.000134179  -0.000014526
 O      1.347448     -3.315662      0.891775    0.00  -0.000373522  -0.000501448  -0.000401842
26
 Energy =      -0.304437436611
 C      0.019965      2.110886      0.355564    0.00   0.000221511  -0.000014692  -0.000171723
 C     -1.422535      2.051239     -0.154659    0.00   0.000328136  -0.000003318  -0.000403377
 C     -1.615132      0.915250     -1.165267    0.00   0.000081763  -0.000078155  -0.000129084
 C     -1.991170     -0.420634     -0.515823    0.00   0.000133398  -0.000279000   0.000018641
 C     -0.987117     -0.936206      0.496223    0.00  -0.000053797  -0.000164355   0.000055014
 C      0.365175      0.957598      1.288589    0.00   0.000796997  -0.000145107   0.000592833
 H     -2.404860      1.191310     -1.892048    0.00  -0.000005076   0.000003228  -0.000008442
 H     -2.130235      1.952457      0.690140    0.00   0.000058193   0.000001163  -0.000043454
 H     -1.675821      3.016624     -0.637682    0.00   0.000009868   0.000004227  -0.000061288
 H      0.719795      2.108669     -0.507329    0.00  -0.000033572   0.000006385   0.000013711
 H      0.197210      3.069001      0.884038    0.00   0.000022891   0.000008243  -0.000060023
 H     -2.970453     -0.308406      0.021357    0.00   0.000017084  -0.000034071   0.000001507
 H     -0.254621      0.945446      2.201520    0.00   0.000116208   0.000025444   0.000023795
 H      1.440245      0.957468      1.564379    0.00   0.000084600  -0.000025767   0.000102548
 H     -0.689440      0.782571     -1.766642    0.00   0.000002308  -0.000000771  -0.000009562
 O     -1.133425     -1.952183      1.147023    0.00  -0.000607149   0.000537680  -0.000843806
 C     -2.125258     -1.518373     -1.579721    0.00   0.000169071  -0.000170756   0.000148624
 H     -2.483284     -2.459911     -1.141384    0.00   0.000033662  -0.000006614   0.000022219
 H     -2.826073     -1.230014     -2.369305    0.00   0.000013641  -0.000023919  -0.000003380
 H     -1.153622     -1.734961     -2.054556    0.00  -0.000007801  -0.000009346   0.000029818
 H      0.524522     -2.803387      1.207374    0.00  -0.000082637   0.000065782  -0.000028499
 O      0.261488     -0.333900      0.648830    0.00   0.000356367  -0.000816462   0.001322217
 O      1.165133     -2.204285     -1.054387    0.00  -0.001388577   0.001864033   0.000173533
 C      1.761907     -2.997084     -0.360228    0.00  -0.000084854  -0.000134925  -0.000327793
 H      2.663529     -3.567558     -0.590108    0.00   0.000117845  -0.000119332  -0.000014682
 O      1.353671     -3.315833      0.891738    0.00  -0.000300084  -0.000489594  -0.000399347
26
 Energy =      -0.304648545521
 C      0.019764      2.113599      0.353863    0.00   0.000217410  -0.000019740  -0.000154294
 C     -1.421843      2.055405     -0.158792    0.00   0.000319950   0.000002837  -0.000420542
 C     -1.614069      0.916629     -1.166112    0.00   0.000058874  -0.000081313  -0.000142280
 C     -1.989795     -0.417981     -0.514026    0.00   0.000127704  -0.000279975   0.000021898
 C     -0.986019     -0.935569      0.497461    0.00  -0.000054726  -0.000170728   0.000056545
 C      0.358374      0.964719      1.294412    0.00   0.000807133  -0.000141006   0.000620553
 H     -2.404139      1.190687     -1.893424    0.00  -0.000007829   0.000002993  -0.000011208
 H     -2.131443      1.960468      0.684860    0.00   0.000059309   0.000003005  -0.000046131
 H     -1.672488      3.019714     -0.645336    0.00   0.000007557   0.000004650  -0.000064270
 H      0.721583      2.104089     -0.507358    0.00  -0.000034400   0.000003953   0.000016345
 H      0.199087      3.074193      0.877144    0.00   0.000022741   0.000008367  -0.000057723
 H     -2.968468     -0.304366      0.023976    0.00   0.000017677  -0.000035532   0.000001444
 H     -0.267632      0.957016      2.203184    0.00   0.000116987   0.000027934   0.000024499
 H      1.431616      0.965644      1.577529    0.00   0.000086922  -0.000024951   0.000106864
 H     -0.688667      0.782979     -1.767668    0.00  -0.000001028  -0.000002054  -0.000009558
 O     -1.130432     -1.957652      1.139371    0.00  -0.000605245   0.000508707  -0.000853114
 C     -2.125846     -1.516279     -1.577318    0.00   0.000168414  -0.000157535   0.000177686
 H     -2.486497     -2.456588     -1.138434    0.00   0.000031537  -0.000008134   0.000024989
 H     -2.825020     -1.226940     -2.367916    0.00   0.000014270  -0.000020745   0.000002909
 H     -1.154199     -1.736178     -2.050795    0.00  -0.000006021  -0.000005905   0.000029594
 H      0.522071     -2.813324      1.202315    0.00  -0.000072006   0.000058186  -0.000027140
 O      0.259224     -0.330454      0.661684    0.00   0.000370053  -0.000818388   0.001341239
 O      1.158075     -2.220166     -1.062445    0.00  -0.001397168   0.001811386   0.000097059
 C      1.766099     -2.998034     -0.361101    0.00  -0.000110901  -0.000081778  -0.000318300
 H      2.677798     -3.554700     -0.584945    0.00   0.000101221  -0.000105703  -0.000015471
 O      1.359586     -3.315526      0.891598    0.00  -0.000238433  -0.000478534  -0.000401592
26
 Energy =      -0.304858533294
 C      0.019518      2.116278      0.352339    0.00   0.000214274  -0.000023981  -0.000138523
 C     -1.421052      2.059528     -0.163141    0.00   0.000312848   0.000008872  -0.000437870
 C     -1.612772      0.917840     -1.167046    0.00   0.000037321  -0.000084560  -0.000155474
 C     -1.988401     -0.415364     -0.512176    0.00   0.000124096  -0.000280818   0.000025583
 C     -0.984892     -0.934902      0.498760    0.00  -0.000053737  -0.000176350   0.000059670
 C      0.351289      0.971889      1.300468    0.00   0.000817539  -0.000136139   0.000645414
 H     -2.403025      1.189842     -1.895077    0.00  -0.000010498   0.000002723  -0.000014012
 H     -2.132772      1.968621      0.679179    0.00   0.000060422   0.000004779  -0.000048844
 H     -1.668850      3.022690     -0.653410    0.00   0.000005343   0.000005051  -0.000067178
 H      0.723525      2.099460     -0.506977    0.00  -0.000035063   0.000001671   0.000018739
 H      0.200802      3.079327      0.870444    0.00   0.000022668   0.000008452  -0.000055563
 H     -2.966402     -0.300134      0.026714    0.00   0.000018469  -0.000036902   0.000001325
 H     -0.281130      0.968593      2.204852    0.00   0.000117807   0.000030154   0.000025066
 H      1.422576      0.973945      1.591168    0.00   0.000089125  -0.000024069   0.000110644
 H     -0.687550      0.783071     -1.768575    0.00  -0.000004277  -0.000003357  -0.000009490
 O     -1.127238     -1.963019      1.131751    0.00  -0.000600646   0.000482502  -0.000859596
 C     -2.126709     -1.514310     -1.574716    0.00   0.000168775  -0.000145389   0.000206234
 H     -2.489645     -2.453414     -1.135064    0.00   0.000029895  -0.000009502   0.000027722
 H     -2.824654     -1.224160     -2.366027    0.00   0.000014821  -0.000018002   0.000008719
 H     -1.155256     -1.737400     -2.047265    0.00  -0.000004396  -0.000002749   0.000029795
 H      0.520160     -2.822055      1.197384    0.00  -0.000062446   0.000051212  -0.000026213
 O      0.256815     -0.326909      0.674749    0.00   0.000383713  -0.000818606   0.001362353
 O      1.151751     -2.236022     -1.070709    0.00  -0.001402401   0.001758622   0.000026958
 C      1.769964     -2.999416     -0.362316    0.00  -0.000141010  -0.000032836  -0.000311373
 H      2.690693     -3.543344     -0.580403    0.00   0.000084993  -0.000093165  -0.000016571
 O      1.365238     -3.314814      0.891336    0.00  -0.000187633  -0.000467614  -0.000407514
26
 Energy =      -0.305067778781
 C      0.019230      2.118925      0.350976    0.00   0.000211252  -0.000027522  -0.000124210
 C     -1.420164      2.063611     -0.167700    0.00   0.000306338   0.000014593  -0.000455353
 C     -1.611251      0.918896     -1.168068    0.00   0.000017013  -0.000087677  -0.000168395
 C     -1.987005     -0.412773     -0.510273    0.00   0.000122023  -0.000281431   0.000029554
 C     -0.983757     -0.934197      0.500125    0.00  -0.000051657  -0.000181159   0.000063519
 C      0.343940      0.979096      1.306718    0.00   0.000827285  -0.000130116   0.000667638
 H     -2.401518      1.188789     -1.897011    0.00  -0.000013070   0.000002427  -0.000016768
 H     -2.134209      1.976910      0.673102    0.00   0.000061514   0.000006465  -0.000051605
 H     -1.664916      3.025555     -0.661885    0.00   0.000003171   0.000005392  -0.000070034
 H      0.725609      2.094799     -0.506212    0.00  -0.000035639  -0.000000466   0.000020953
 H      0.202364      3.084395      0.863937    0.00   0.000022563   0.000008499  -0.000053532
 H     -2.964272     -0.295700      0.029556    0.00   0.000019383  -0.000038205   0.000001170
 H     -0.295059      0.980169      2.206505    0.00   0.000118546   0.000032270   0.000025486
 H      1.413150      0.982356      1.605217    0.00   0.000091184  -0.000023079   0.000114008
 H     -0.686094      0.782849     -1.769357    0.00  -0.000007405  -0.000004613  -0.000009367
 O     -1.123877     -1.968264      1.124180    0.00  -0.000593976   0.000458121  -0.000863791
 C     -2.127845     -1.512453     -1.571922    0.00   0.000170083  -0.000133923   0.000234188
 H     -2.492766     -2.450365     -1.131287    0.00   0.000028670  -0.000010707   0.000030399
 H     -2.824928     -1.221644     -2.363676    0.00   0.000015333  -0.000015612   0.000014104
 H     -1.156770     -1.738639     -2.043922    0.00  -0.000002901   0.000000192   0.000030333
 H      0.518778     -2.829661      1.192571    0.00  -0.000053994   0.000044793  -0.000025715
 O      0.254248     -0.323284      0.688004    0.00   0.000396774  -0.000816551   0.001383047
 O      1.146134     -2.251792     -1.079115    0.00  -0.001402593   0.001704456  -0.000035403
 C      1.773554     -3.001237     -0.363866    0.00  -0.000172817   0.000011819  -0.000306394
 H      2.702331     -3.533507     -0.576508    0.00   0.000069674  -0.000081543  -0.000017766
 O      1.370670     -3.313768      0.890936    0.00  -0.000146754  -0.000456423  -0.000416068
26
 Energy =      -0.305276392145
 C      0.018906      2.121534      0.349761    0.00   0.000207695  -0.000030479  -0.000111154
 C     -1.419177      2.067655     -0.172469    0.00   0.000299948   0.000019878  -0.000472918
 C     -1.609517      0.919802     -1.169177    0.00  -0.000002220  -0.000090538  -0.000180874
 C     -1.985615     -0.410196     -0.508317    0.00   0.000120980  -0.000281691   0.000033685
 C     -0.982625     -0.933455      0.501554    0.00  -0.000049170  -0.000185063   0.000067436
 C      0.336340      0.986326      1.313128    0.00   0.000835579  -0.000122671   0.000687332
 H     -2.399633      1.187541     -1.899216    0.00  -0.000015539   0.000002111  -0.000019420
 H     -2.135745      1.985334      0.666637    0.00   0.000062553   0.000008047  -0.000054420
 H     -1.660684      3.028311     -0.670751    0.00   0.000000984   0.000005645  -0.000072830
 H      0.727829      2.090112     -0.505085    0.00  -0.000036173  -0.000002471   0.000023037
 H      0.203789      3.089387      0.857616    0.00   0.000022348   0.000008506  -0.000051595
 H     -2.962093     -0.291056      0.032495    0.00   0.000020352  -0.000039460   0.000000990
 H     -0.309385      0.991732      2.208118    0.00   0.000119092   0.000034383   0.000025728
 H      1.403352      0.990858      1.619618    0.00   0.000093071  -0.000021933   0.000117031
 H     -0.684313      0.782323     -1.770017    0.00  -0.000010404  -0.000005789  -0.000009189
 O     -1.120377     -1.973382      1.116668    0.00  -0.000585769   0.000434825  -0.000866136
 C     -2.129251     -1.510699     -1.568935    0.00   0.000172289  -0.000122739   0.000261487
 H     -2.495903     -2.447421     -1.127120    0.00   0.000027800  -0.000011739   0.000033009
 H     -2.825800     -1.219363     -2.360896    0.00   0.000015846  -0.000013496   0.000019120
 H     -1.158723     -1.739908     -2.040728    0.00  -0.000001504   0.000002983   0.000031130
 H      0.517907     -2.836233      1.187874    0.00  -0.000046621   0.000038841  -0.000025581
 O      0.251517     -0.319597      0.701419    0.00   0.000408754  -0.000811783   0.001401248
 O      1.141180     -2.267417     -1.087600    0.00  -0.001396128   0.001647774  -0.000089183
 C      1.776911     -3.003488     -0.365740    0.00  -0.000204420   0.000052230  -0.000302729
 H      2.712831     -3.525157     -0.573274    0.00   0.000055534  -0.000070676  -0.000018927
 O      1.375926     -3.312456      0.890389    0.00  -0.000114876  -0.000444694  -0.000426276
26
 Energy =      -0.305484252758
 C      0.018550      2.124101      0.348678    0.00   0.000203159  -0.000032970  -0.000099140
 C     -1.418085      2.071666     -0.177448    0.00   0.000293256   0.000024643  -0.000490437
 C     -1.607576      0.920566     -1.170372    0.00  -0.000020594  -0.000093075  -0.000192813
 C     -1.984241     -0.407629     -0.506311    0.00   0.000120534  -0.000281501   0.000037872
 C     -0.981504     -0.932679      0.503042    0.00  -0.000046812  -0.000187979   0.000070933
 C      0.328494      0.993567      1.319672    0.00   0.000841808  -0.000113699   0.000704522
 H     -2.397381      1.186105     -1.901687    0.00  -0.000017907   0.000001782  -0.000021937
 H     -2.137366      1.993901      0.659781    0.00   0.000063498   0.000009517  -0.000057295
 H     -1.656143      3.030963     -0.680004    0.00  -0.000001266   0.000005794  -0.000075548
 H      0.730182      2.085394     -0.503612    0.00  -0.000036687  -0.000004360   0.000025030
 H      0.205095      3.094292      0.851475    0.00   0.000021969   0.000008472  -0.000049723
 H     -2.959870     -0.286197      0.035529    0.00   0.000021322  -0.000040678   0.000000787
 H     -0.324093      1.003266      2.209665    0.00   0.000119352   0.000036561   0.000025760
 H      1.393187      0.999437      1.634336    0.00   0.000094770  -0.000020589   0.000119755
 H     -0.682219      0.781496     -1.770560    0.00  -0.000013279  -0.000006866  -0.000008963
 O     -1.116753     -1.978367      1.109218    0.00  -0.000576467   0.000412072  -0.000866974
 C     -2.130930     -1.509036     -1.565759    0.00   0.000175349  -0.000111468   0.000288093
 H     -2.499096     -2.444560     -1.122577    0.00   0.000027231  -0.000012589   0.000035545
 H     -2.827236     -1.217282     -2.357715    0.00   0.000016398  -0.000011590   0.000023823
 H     -1.161106     -1.741218     -2.037651    0.00  -0.000000175   0.000005685   0.000032117
 H      0.517530     -2.841869      1.183291    0.00  -0.000040247   0.000033276  -0.000025720
 O      0.248621     -0.315861      0.714965    0.00   0.000419300  -0.000803997   0.001415422
 O      1.136834     -2.282843     -1.096099    0.00  -0.001381703   0.001587758  -0.000134059
 C      1.780068     -3.006146     -0.367920    0.00  -0.000234397   0.000088511  -0.000299801
 H      2.722302     -3.518240     -0.570707    0.00   0.000042676  -0.000060431  -0.000019989
 O      1.381045     -3.310943      0.889689    0.00  -0.000091088  -0.000432279  -0.000437261
26
 Energy =      -0.305691066274
 C      0.018174      2.126617      0.347719    0.00   0.000197382  -0.000035112  -0.000087980
 C     -1.416880      2.075646     -0.182643    0.00   0.000285919   0.000028840  -0.000507765
 C     -1.605434      0.921193     -1.171653    0.00  -0.000038338  -0.000095265  -0.000204157
 C     -1.982885     -0.405065     -0.504254    0.00   0.000120349  -0.000280742   0.000042010
 C     -0.980394     -0.931874      0.504582    0.00  -0.000044973  -0.000189882   0.000073681
 C      0.320404      1.000802      1.326330    0.00   0.000845551  -0.000103199   0.000719225
 H     -2.394772      1.184488     -1.904415    0.00  -0.000020184   0.000001436  -0.000024307
 H     -2.139059      2.002617      0.652529    0.00   0.000064313   0.000010873  -0.000060228
 H     -1.651276      3.033513     -0.689643    0.00  -0.000003619   0.000005833  -0.000078166
 H      0.732671      2.080635     -0.501806    0.00  -0.000037187  -0.000006149   0.000026966
 H      0.206303      3.099103      0.845506    0.00   0.000021403   0.000008400  -0.000047882
 H     -2.957602     -0.281115      0.038660    0.00   0.000022255  -0.000041868   0.000000559
 H     -0.339178      1.014752      2.211121    0.00   0.000119257   0.000038830   0.000025554
 H      1.382648      1.008080      1.649353    0.00   0.000096270  -0.000019016   0.000122203
 H     -0.679824      0.780370     -1.770992    0.00  -0.000016039  -0.000007839  -0.000008690
 O     -1.113009     -1.983222      1.101824    0.00  -0.000566438   0.000389494  -0.000866552
 C     -2.132888     -1.507451     -1.562398    0.00   0.000179234  -0.000099817   0.000314002
 H     -2.502384     -2.441764     -1.117669    0.00   0.000026915  -0.000013255   0.000038002
 H     -2.829219     -1.215377     -2.354150    0.00   0.000017010  -0.000009839   0.000028263
 H     -1.163918     -1.742580     -2.034671    0.00   0.000001113   0.000008351   0.000033245
 H      0.517630     -2.846665      1.178824    0.00  -0.000034765   0.000028035  -0.000026038
 O      0.245564     -0.312086      0.728617    0.00   0.000428219  -0.000793064   0.001424571
 O      1.133038     -2.298015     -1.104556    0.00  -0.001358488   0.001523985  -0.000170211
 C      1.783052     -3.009187     -0.370386    0.00  -0.000261767   0.000120813  -0.000297104
 H      2.730840     -3.512687     -0.568806    0.00   0.000031095  -0.000050716  -0.000020921
 O      1.386065     -3.309285      0.888831    0.00  -0.000074486  -0.000419127  -0.000448278
26
 Energy =      -0.305896430658
 C      0.017785      2.129074      0.346874    0.00   0.000190269  -0.000037000  -0.000077523
 C     -1.415551      2.079595     -0.188058    0.00   0.000277673   0.000032453  -0.000524764
 C     -1.603095      0.921682     -1.173020    0.00  -0.000055657  -0.000097117  -0.000214893
 C     -1.981553     -0.402501     -0.502146    0.00   0.000120175  -0.000279346   0.000046032
 C     -0.979290     -0.931046      0.506163    0.00  -0.000043874  -0.000190751   0.000075505
 C      0.312070      1.008021      1.333087    0.00   0.000846625  -0.000091284   0.000731480
 H     -2.391815      1.182693     -1.907394    0.00  -0.000022383   0.000001072  -0.000026530
 H     -2.140809      2.011496      0.644874    0.00   0.000064961   0.000012118  -0.000063222
 H     -1.646060      3.035959     -0.699676    0.00  -0.000006103   0.000005762  -0.000080651
 H      0.735300      2.075821     -0.499676    0.00  -0.000037668  -0.000007854   0.000028864
 H      0.207432      3.103807      0.839704    0.00   0.000020645   0.000008286  -0.000046043
 H     -2.955288     -0.275805      0.041894    0.00   0.000023122  -0.000043035   0.000000301
 H     -0.354648      1.026172      2.212462    0.00   0.000118768   0.000041186   0.000025093
 H      1.371729      1.016775      1.664658    0.00   0.000097565  -0.000017196   0.000124383
 H     -0.677136      0.778945     -1.771318    0.00  -0.000018699  -0.000008716  -0.000008369
 O     -1.109145     -1.987952      1.094484    0.00  -0.000555986   0.000366878  -0.000865064
 C     -2.135139     -1.505938     -1.558852    0.00   0.000183908  -0.000087574   0.000339231
 H     -2.505805     -2.439014     -1.112404    0.00   0.000026815  -0.000013737   0.000040375
 H     -2.831738     -1.213618     -2.350215    0.00   0.000017704  -0.000008203   0.000032488
 H     -1.167167     -1.744005     -2.031771    0.00   0.000002386   0.000011026   0.000034477
 H      0.518193     -2.850706      1.174482    0.00  -0.000030064   0.000023071  -0.000026452
 O      0.242349     -0.308281      0.742348    0.00   0.000435405  -0.000779039   0.001428195
 O      1.129731     -2.312882     -1.112918    0.00  -0.001326214   0.001456421  -0.000198218
 C      1.785885     -3.012578     -0.373120    0.00  -0.000285935   0.000149284  -0.000294262
 H      2.738528     -3.508426     -0.567568    0.00   0.000020731  -0.000041482  -0.000021706
 O      1.391015     -3.307533      0.887814    0.00  -0.000064169  -0.000405222  -0.000458727
26
 Energy =       -0.30609990149
 C      0.017391      2.131464      0.346137    0.00   0.000181850  -0.000038718  -0.000067636
 C     -1.414085      2.083515     -0.193700    0.00   0.000268355   0.000035497  -0.000541305
 C     -1.600557      0.922035     -1.174476    0.00  -0.000072729  -0.000098667  -0.000225029
 C     -1.980242     -0.399935     -0.499986    0.00   0.000119840  -0.000277276   0.000049880
 C     -0.978189     -0.930205      0.507773    0.00  -0.000043633  -0.000190622   0.000076335
 C      0.303488      1.015210      1.339929    0.00   0.000845020  -0.000078149   0.000741344
 H     -2.388513      1.180721     -1.910619    0.00  -0.000024522   0.000000685  -0.000028612
 H     -2.142601      2.020545      0.636801    0.00   0.000065411   0.000013254  -0.000066267
 H     -1.640471      3.038296     -0.710111    0.00  -0.000008734   0.000005586  -0.000082981
 H      0.738076      2.070942     -0.497225    0.00  -0.000038117  -0.000009485   0.000030739
 H      0.208500      3.108394      0.834064    0.00   0.000019709   0.000008134  -0.000044193
 H     -2.952920     -0.270260      0.045238    0.00   0.000023907  -0.000044184   0.000000003
 H     -0.370512      1.037506      2.213664    0.00   0.000117873   0.000043612   0.000024370
 H      1.360415      1.025512      1.680252    0.00   0.000098662  -0.000015127   0.000126296
 H     -0.674159      0.777217     -1.771546    0.00  -0.000021269  -0.000009503  -0.000007997
 O     -1.105156     -1.992566      1.087186    0.00  -0.000545347   0.000344153  -0.000862657
 C     -2.137695     -1.504486     -1.555122    0.00   0.000189333  -0.000074613   0.000363821
 H     -2.509399     -2.436295     -1.106789    0.00   0.000026898  -0.000014047   0.000042665
 H     -2.834798     -1.211979     -2.345916    0.00   0.000018487  -0.000006656   0.000036535
 H     -1.170868     -1.745502     -2.028939    0.00   0.000003666   0.000013735   0.000035788
 H      0.519207     -2.854070      1.170270    0.00  -0.000026040   0.000018362  -0.000026902
 O      0.238981     -0.304455      0.756137    0.00   0.000440891  -0.000762126   0.001426269
 O      1.126858     -2.327389     -1.121138    0.00  -0.001285176   0.001385374  -0.000218965
 C      1.788579     -3.016290     -0.376103    0.00  -0.000306592   0.000174094  -0.000291018
 H      2.745436     -3.505388     -0.566988    0.00   0.000011502  -0.000032701  -0.000022333
 O      1.395925     -3.305730      0.886641    0.00  -0.000059246  -0.000390609  -0.000468151
26
 Energy =      -0.306301049379
 C      0.017002      2.133777      0.345504    0.00   0.000172267  -0.000040319  -0.000058248
 C     -1.412467      2.087404     -0.199577    0.00   0.000257885   0.000037996  -0.000557282
 C     -1.597818      0.922248     -1.176021    0.00  -0.000089690  -0.000099958  -0.000234589
 C     -1.978957     -0.397366     -0.497776    0.00   0.000119254  -0.000274528   0.000053530
 C     -0.977084     -0.929361      0.509404    0.00  -0.000044235  -0.000189554   0.000076209
 C      0.294654      1.022356      1.346846    0.00   0.000840894  -0.000064025   0.000748928
 H     -2.384862      1.178568     -1.914088    0.00  -0.000026612   0.000000271  -0.000030565
 H     -2.144422      2.029771      0.628298    0.00   0.000065646   0.000014288  -0.000069364
 H     -1.634484      3.040521     -0.720955    0.00  -0.000011520   0.000005313  -0.000085129
 H      0.741008      2.065986     -0.494454    0.00  -0.000038524  -0.000011051   0.000032595
 H      0.209521      3.112857      0.828585    0.00   0.000018623   0.000007947  -0.000042320
 H     -2.950490     -0.264472      0.048702    0.00   0.000024597  -0.000045316  -0.000000344
 H     -0.386779      1.048735      2.214702    0.00   0.000116586   0.000046067   0.000023391
 H      1.348694      1.034281      1.696129    0.00   0.000099572  -0.000012819   0.000127942
 H     -0.670894      0.775178     -1.771675    0.00  -0.000023762  -0.000010214  -0.000007571
 O     -1.101036     -1.997070      1.079924    0.00  -0.000534722   0.000321360  -0.000859458
 C     -2.140578     -1.503089     -1.551208    0.00   0.000195466  -0.000060917   0.000387823
 H     -2.513200     -2.433594     -1.100828    0.00   0.000027140  -0.000014198   0.000044872
 H     -2.838404     -1.210436     -2.341254    0.00   0.000019363  -0.000005186   0.000040440
 H     -1.175043     -1.747082     -2.026173    0.00   0.000004967   0.000016499   0.000037166
 H      0.520659     -2.856823      1.166198    0.00  -0.000022596   0.000013900  -0.000027346
 O      0.235463     -0.300613      0.769960    0.00   0.000444746  -0.000742678   0.001419115
 O      1.124370     -2.341487     -1.129176    0.00  -0.001236156   0.001311431  -0.000233533
 C      1.791146     -3.020289     -0.379314    0.00  -0.000323665   0.000195409  -0.000287238
 H      2.751618     -3.503505     -0.567058    0.00   0.000003328  -0.000024378  -0.000022789
 O      1.400815     -3.303918      0.885311    0.00  -0.000058849  -0.000375339  -0.000476234
26
 Energy =      -0.306499504999
 C      0.016626      2.136009      0.344973    0.00   0.000161710  -0.000041837  -0.000049307
 C     -1.410685      2.091255     -0.205696    0.00   0.000246267   0.000039992  -0.000572622
 C     -1.594874      0.922315     -1.177656    0.00  -0.000106627  -0.000101041  -0.000243602
 C     -1.977696     -0.394797     -0.495514    0.00   0.000118380  -0.000271151   0.000056972
 C     -0.975970     -0.928522      0.511043    0.00  -0.000045613  -0.000187643   0.000075227
 C      0.285566      1.029450      1.353828    0.00   0.000834527  -0.000049179   0.000754360
 H     -2.380861      1.176231     -1.917800    0.00  -0.000028671  -0.000000172  -0.000032401
 H     -2.146256      2.039175      0.619351    0.00   0.000065649   0.000015224  -0.000072500
 H     -1.628073      3.042622     -0.732216    0.00  -0.000014455   0.000004954  -0.000087080
 H      0.744103      2.060942     -0.491361    0.00  -0.000038874  -0.000012556   0.000034430
 H      0.210507      3.117184      0.823268    0.00   0.000017418   0.000007730  -0.000040429
 H     -2.947990     -0.258434      0.052292    0.00   0.000025192  -0.000046433  -0.000000748
 H     -0.403456      1.059838      2.215556    0.00   0.000114944   0.000048515   0.000022172
 H      1.336554      1.043072      1.712291    0.00   0.000100307  -0.000010294   0.000129319
 H     -0.667340      0.772817     -1.771708    0.00  -0.000026185  -0.000010862  -0.000007088
 O     -1.096774     -2.001474      1.072691    0.00  -0.000524266   0.000298632  -0.000855582
 C     -2.143806     -1.501742     -1.547110    0.00   0.000202263  -0.000046540   0.000411295
 H     -2.517242     -2.430900     -1.094520    0.00   0.000027517  -0.000014212   0.000047000
 H     -2.842572     -1.208972     -2.336227    0.00   0.000020327  -0.000003787   0.000044227
 H     -1.179717     -1.748752     -2.023469    0.00   0.000006302   0.000019321   0.000038605
 H      0.522540     -2.859022      1.162277    0.00  -0.000019655   0.000009695  -0.000027766
 O      0.231803     -0.296759      0.783797    0.00   0.000447120  -0.000721118   0.001407350
 O      1.122223     -2.355124     -1.136997    0.00  -0.001180342   0.001235362  -0.000243085
 C      1.793591     -3.024542     -0.382735    0.00  -0.000337227   0.000213403  -0.000282911
 H      2.757122     -3.502717     -0.567764    0.00  -0.000003860  -0.000016526  -0.000023063
 O      1.405703     -3.302129      0.883829    0.00  -0.000062145  -0.000359477  -0.000482774
26
 Energy =      -0.306694989979
 C      0.016270      2.138150      0.344540    0.00   0.000150418  -0.000043282  -0.000040805
 C     -1.408724      2.095062     -0.212062    0.00   0.000233563   0.000041529  -0.000587281
 C     -1.591719      0.922231     -1.179383    0.00  -0.000123586  -0.000101960  -0.000252102
 C     -1.976460     -0.392226     -0.493202    0.00   0.000117229  -0.000267215   0.000060219
 C     -0.974842     -0.927697      0.512683    0.00  -0.000047628  -0.000184995   0.000073539
 C      0.276224      1.036478      1.360864    0.00   0.000826270  -0.000033858   0.000757817
 H     -2.376500      1.173704     -1.921755    0.00  -0.000030707  -0.000000647  -0.000034130
 H     -2.148090      2.048757      0.609948    0.00   0.000065424   0.000016071  -0.000075668
 H     -1.621218      3.044590     -0.743896    0.00  -0.000017526   0.000004524  -0.000088821
 H      0.747367      2.055806     -0.487946    0.00  -0.000039162  -0.000013998   0.000036235
 H      0.211469      3.121367      0.818116    0.00   0.000016134   0.000007487  -0.000038525
 H     -2.945414     -0.252139      0.056015    0.00   0.000025691  -0.000047538  -0.000001219
 H     -0.420541      1.070796      2.216208    0.00   0.000112994   0.000050909   0.000020739
 H      1.323984      1.051874      1.728727    0.00   0.000100886  -0.000007584   0.000130431
 H     -0.663492      0.770125     -1.771645    0.00  -0.000028540  -0.000011456  -0.000006544
 O     -1.092366     -2.005783      1.065482    0.00  -0.000514103   0.000276158  -0.000851144
 C     -2.147399     -1.500439     -1.542826    0.00   0.000209672  -0.000031616   0.000434299
 H     -2.521557     -2.428202     -1.087866    0.00   0.000028013  -0.000014111   0.000049055
 H     -2.847319     -1.207567     -2.330831    0.00   0.000021373  -0.000002464   0.000047917
 H     -1.184916     -1.750520     -2.020828    0.00   0.000007679   0.000022197   0.000040105
 H      0.524838     -2.860716      1.158513    0.00  -0.000017152   0.000005760  -0.000028156
 O      0.228003     -0.292902      0.797627    0.00   0.000448173  -0.000697940   0.001391772
 O      1.120383     -2.368249     -1.144573    0.00  -0.001119178   0.001158030  -0.000248785
 C      1.795923     -3.029019     -0.386347    0.00  -0.000347469   0.000228262  -0.000278115
 H      2.761989     -3.502965     -0.569089    0.00  -0.000010118  -0.000009165  -0.000023147
 O      1.410600     -3.300394      0.882200    0.00  -0.000068351  -0.000343095  -0.000487685
26
 Energy =      -0.306887333669
 C      0.015942      2.140194      0.344204    0.00   0.000138618  -0.000044645  -0.000032749
 C     -1.406572      2.098816     -0.218677    0.00   0.000219895   0.000042658  -0.000601247
 C     -1.588347      0.921988     -1.181202    0.00  -0.000140566  -0.000102758  -0.000260105
 C     -1.975250     -0.389659     -0.490841    0.00   0.000115858  -0.000262821   0.000063293
 C     -0.973696     -0.926895      0.514312    0.00  -0.000050133  -0.000181737   0.000071309
 C      0.266630      1.043431      1.367941    0.00   0.000816521  -0.000018304   0.000759479
 H     -2.371775      1.170983     -1.925949    0.00  -0.000032729  -0.000001152  -0.000035760
 H     -2.149905      2.058510      0.600081    0.00   0.000064974   0.000016832  -0.000078854
 H     -1.613898      3.046412     -0.755995    0.00  -0.000020711   0.000004032  -0.000090356
 H      0.750805      2.050575     -0.484207    0.00  -0.000039381  -0.000015376   0.000038000
 H      0.212412      3.125398      0.813132    0.00   0.000014805   0.000007227  -0.000036626
 H     -2.942752     -0.245582      0.059875    0.00   0.000026101  -0.000048633  -0.000001761
 H     -0.438032      1.081589      2.216637    0.00   0.000110798   0.000053213   0.000019126
 H      1.310982      1.060676      1.745426    0.00   0.000101327  -0.000004729   0.000131281
 H     -0.659350      0.767091     -1.771482    0.00  -0.000030829  -0.000012005  -0.000005938
 O     -1.087806     -2.010004      1.058292    0.00  -0.000504327   0.000254161  -0.000846264
 C     -2.151380     -1.499177     -1.538354    0.00   0.000217647  -0.000016327   0.000456897
 H     -2.526173     -2.425491     -1.080867    0.00   0.000028614  -0.000013923   0.000051040
 H     -2.852663     -1.206201     -2.325058    0.00   0.000022490  -0.000001228   0.000051524
 H     -1.190665     -1.752394     -2.018253    0.00   0.000009102   0.000025114   0.000041669
 H      0.527535     -2.861952      1.154910    0.00  -0.000015036   0.000002119  -0.000028516
 O      0.224069     -0.289043      0.811430    0.00   0.000448093  -0.000673632   0.001373292
 O      1.118821     -2.380819     -1.151881    0.00  -0.001054249   0.001080316  -0.000251737
 C      1.798145     -3.033686     -0.390129    0.00  -0.000354640   0.000240189  -0.000272985
 H      2.766254     -3.504191     -0.571009    0.00  -0.000015497  -0.000002318  -0.000023039
 O      1.415510     -3.298741      0.880426    0.00  -0.000076747  -0.000326274  -0.000490972
26
 Energy =      -0.307076477391
 C      0.015647      2.142133      0.343965    0.00   0.000126534  -0.000045906  -0.000025172
 C     -1.404217      2.102508     -0.225541    0.00   0.000205412   0.000043424  -0.000614542
 C     -1.584756      0.921580     -1.183110    0.00  -0.000157539  -0.000103460  -0.000267630
 C     -1.974067     -0.387098     -0.488431    0.00   0.000114339  -0.000258082   0.000066233
 C     -0.972531     -0.926122      0.515925    0.00  -0.000052963  -0.000177993   0.000068720
 C      0.256792      1.050295      1.375048    0.00   0.000805684  -0.000002717   0.000759553
 H     -2.366678      1.168063     -1.930383    0.00  -0.000034742  -0.000001685  -0.000037296
 H     -2.151685      2.068422      0.589745    0.00   0.000064316   0.000017512  -0.000082043
 H     -1.606100      3.048073     -0.768506    0.00  -0.000023984   0.000003491  -0.000091689
 H      0.754420      2.045249     -0.480143    0.00  -0.000039533  -0.000016682   0.000039711
 H      0.213342      3.129270      0.808322    0.00   0.000013461   0.000006957  -0.000034751
 H     -2.939999     -0.238761      0.063877    0.00   0.000026430  -0.000049717  -0.000002377
 H     -0.455912      1.092203      2.216829    0.00   0.000108421   0.000055396   0.000017372
 H      1.297547      1.069468      1.762366    0.00   0.000101648  -0.000001772   0.000131881
 H     -0.654910      0.763704     -1.771217    0.00  -0.000033046  -0.000012514  -0.000005270
 O     -1.083091     -2.014141      1.051120    0.00  -0.000495005   0.000232873  -0.000841063
 C     -2.155763     -1.497951     -1.533695    0.00   0.000226141  -0.000000887   0.000479142
 H     -2.531115     -2.422762     -1.073523    0.00   0.000029308  -0.000013672   0.000052961
 H     -2.858620     -1.204860     -2.318903    0.00   0.000023666  -0.000000090   0.000055056
 H     -1.196989     -1.754378     -2.015743    0.00   0.000010574   0.000028053   0.000043302
 H      0.530613     -2.862772      1.151473    0.00  -0.000013263  -0.000001208  -0.000028853
 O      0.220005     -0.285193      0.825186    0.00   0.000447063  -0.000648669   0.001352833
 O      1.117516     -2.392791     -1.158904    0.00  -0.000987163   0.001003057  -0.000252912
 C      1.800262     -3.038511     -0.394062    0.00  -0.000359025   0.000249399  -0.000267720
 H      2.769951     -3.506332     -0.573494    0.00  -0.000020039   0.000003995  -0.000022747
 O      1.420438     -3.297190      0.878515    0.00  -0.000086695  -0.000309104  -0.000492700
26
 Energy =        -0.3072624685
 C      0.015390      2.143964      0.343819    0.00   0.000114350  -0.000047032  -0.000018116
 C     -1.401651      2.106125     -0.232651    0.00   0.000190280   0.000043867  -0.000627207
 C     -1.580942      0.921000     -1.185110    0.00  -0.000174437  -0.000104081  -0.000274681
 C     -1.972915     -0.384545     -0.485974    0.00   0.000112759  -0.000253118   0.000069080
 C     -0.971345     -0.925385      0.517516    0.00  -0.000055960  -0.000173876   0.000065943
 C      0.246720      1.057061      1.382167    0.00   0.000794141   0.000012740   0.000758258
 H     -2.361206      1.164939     -1.935052    0.00  -0.000036743  -0.000002241  -0.000038740
 H     -2.153413      2.078477      0.578939    0.00   0.000063470   0.000018115  -0.000085222
 H     -1.597815      3.049559     -0.781418    0.00  -0.000027315   0.000002911  -0.000092831
 H      0.758211      2.039830     -0.475760    0.00  -0.000039627  -0.000017913   0.000041353
 H      0.214263      3.132974      0.803689    0.00   0.000012129   0.000006683  -0.000032919
 H     -2.937150     -0.231672      0.068020    0.00   0.000026687  -0.000050793  -0.000003064
 H     -0.474157      1.102620      2.216770    0.00   0.000105927   0.000057433   0.000015520
 H      1.283686      1.078235      1.779522    0.00   0.000101864   0.000001239   0.000132245
 H     -0.650170      0.759958     -1.770846    0.00  -0.000035189  -0.000012984  -0.000004543
 O     -1.078220     -2.018197      1.043968    0.00  -0.000486181   0.000212506  -0.000835668
 C     -2.160565     -1.496757     -1.528846    0.00   0.000235117   0.000014483   0.000501074
 H     -2.536401     -2.420006     -1.065835    0.00   0.000030083  -0.000013384   0.000054824
 H     -2.865203     -1.203529     -2.312360    0.00   0.000024888   0.000000937   0.000058519
 H     -1.203909     -1.756474     -2.013299    0.00   0.000012093   0.000030995   0.000045009
 H      0.534049     -2.863217      1.148199    0.00  -0.000011798  -0.000004204  -0.000029171
 O      0.215816     -0.281357      0.838875    0.00   0.000445265  -0.000623478   0.001331282
 O      1.116451     -2.404127     -1.165631    0.00  -0.000919436   0.000926996  -0.000253147
 C      1.802279     -3.043460     -0.398127    0.00  -0.000360932   0.000256114  -0.000262509
 H      2.773115     -3.509326     -0.576508    0.00  -0.000023794   0.000009762  -0.000022286
 O      1.425376     -3.295764      0.876470    0.00  -0.000097640  -0.000291675  -0.000493003
26
 Energy =      -0.307445447156
 C      0.015177      2.145679      0.343763    0.00   0.000102207  -0.000047997  -0.000011620
 C     -1.398867      2.109655     -0.240000    0.00   0.000174666   0.000044021  -0.000639301
 C     -1.576905      0.920242     -1.187195    0.00  -0.000191183  -0.000104627  -0.000281254
 C     -1.971795     -0.382004     -0.483472    0.00   0.000111207  -0.000248046   0.000071885
 C     -0.970140     -0.924689      0.519079    0.00  -0.000058986  -0.000169496   0.000063125
 C      0.236426      1.063718      1.389283    0.00   0.000782236   0.000027944   0.000755803
 H     -2.355358      1.161609     -1.939949    0.00  -0.000038729  -0.000002811  -0.000040089
 H     -2.155072      2.088657      0.567668    0.00   0.000062465   0.000018642  -0.000088372
 H     -1.589040      3.050854     -0.794711    0.00  -0.000030671   0.000002300  -0.000093808
 H      0.762175      2.034323     -0.471062    0.00  -0.000039675  -0.000019059   0.000042914
 H      0.215178      3.136506      0.799236    0.00   0.000010826   0.000006411  -0.000031156
 H     -2.934200     -0.224319      0.072305    0.00   0.000026882  -0.000051859  -0.000003819
 H     -0.492740      1.112827      2.216447    0.00   0.000103381   0.000059312   0.000013614
 H      1.269411      1.086964      1.796858    0.00   0.000101989   0.000004260   0.000132393
 H     -0.645136      0.755847     -1.770367    0.00  -0.000037251  -0.000013412  -0.000003764
 O     -1.073200     -2.022175      1.036837    0.00  -0.000477875   0.000193247  -0.000830199
 C     -2.165793     -1.495591     -1.523809    0.00   0.000244537   0.000029570   0.000522731
 H     -2.542044     -2.417216     -1.057808    0.00   0.000030931  -0.000013079   0.000056635
 H     -2.872418     -1.202193     -2.305426    0.00   0.000026148   0.000001841   0.000061913
 H     -1.211440     -1.758682     -2.010922    0.00   0.000013658   0.000033914   0.000046789
 H      0.537814     -2.863325      1.145082    0.00  -0.000010607  -0.000006858  -0.000029473
 O      0.211507     -0.277542      0.852481    0.00   0.000442881  -0.000598420   0.001309443
 O      1.115616     -2.414799     -1.172059    0.00  -0.000852426   0.000852760  -0.000253116
 C      1.804204     -3.048501     -0.402302    0.00  -0.000360668   0.000260563  -0.000257554
 H      2.775781     -3.513100     -0.580008    0.00  -0.000026814   0.000014974  -0.000021685
 O      1.430320     -3.294477      0.874301    0.00  -0.000109128  -0.000274094  -0.000492037
26
 Energy =      -0.307625628621
 C      0.015011      2.147275      0.343794    0.00   0.000090204  -0.000048771  -0.000005727
 C     -1.395859      2.113089     -0.247580    0.00   0.000158732   0.000043917  -0.000650899
 C     -1.572649      0.919303     -1.189362    0.00  -0.000207687  -0.000105088  -0.000287340
 C     -1.970708     -0.379477     -0.480925    0.00   0.000109769  -0.000242972   0.000074689
 C     -0.968915     -0.924037      0.520611    0.00  -0.000061920  -0.000164946   0.000060405
 C      0.225930      1.070258      1.396378    0.00   0.000770273   0.000042815   0.000752406
 H     -2.349139      1.158071     -1.945064    0.00  -0.000040690  -0.000003388  -0.000041339
 H     -2.156646      2.098940      0.555943    0.00   0.000061325   0.000019096  -0.000091478
 H     -1.579775      3.051946     -0.808364    0.00  -0.000034025   0.000001665  -0.000094637
 H      0.766306      2.028733     -0.466060    0.00  -0.000039691  -0.000020116   0.000044381
 H      0.216091      3.139862      0.794962    0.00   0.000009562   0.000006146  -0.000029482
 H     -2.931151     -0.216702      0.076728    0.00   0.000027026  -0.000052916  -0.000004632
 H     -0.511623      1.122813      2.215853    0.00   0.000100837   0.000061028   0.000011695
 H      1.254740      1.095644      1.814336    0.00   0.000102036   0.000007246   0.000132348
 H     -0.639814      0.751371     -1.769776    0.00  -0.000039227  -0.000013794  -0.000002938
 O     -1.068035     -2.026075      1.029729    0.00  -0.000470087   0.000175240  -0.000824777
 C     -2.171455     -1.494448     -1.518583    0.00   0.000254379   0.000044186   0.000544130
 H     -2.548055     -2.414389     -1.049446    0.00   0.000031844  -0.000012777   0.000058399
 H     -2.880265     -1.200836     -2.298100    0.00   0.000027436   0.000002615   0.000065239
 H     -1.219589     -1.761001     -2.008610    0.00   0.000015267   0.000036790   0.000048644
 H      0.541879     -2.863137      1.142115    0.00  -0.000009664  -0.000009171  -0.000029759
 O      0.207081     -0.273757      0.865986    0.00   0.000440068  -0.000573781   0.001287997
 O      1.115005     -2.424785     -1.178184    0.00  -0.000787271   0.000780838  -0.000253334
 C      1.806044     -3.053599     -0.406566    0.00  -0.000358548   0.000262974  -0.000253023
 H      2.777985     -3.517581     -0.583948    0.00  -0.000029166   0.000019630  -0.000020976
 O      1.435259     -3.293340      0.872012    0.00  -0.000120783  -0.000256467  -0.000489994
26
 Energy =      -0.307803283818
 C      0.014896      2.148748      0.343904    0.00   0.000078398  -0.000049333  -0.000000461
 C     -1.392624      2.116412     -0.255379    0.00   0.000142618   0.000043574  -0.000662077
 C     -1.568178      0.918180     -1.191605    0.00  -0.000223853  -0.000105448  -0.000292922
 C     -1.969659     -0.376967     -0.478337    0.00   0.000108524  -0.000237988   0.000077538
 C     -0.967678     -0.923433      0.522112    0.00  -0.000064670  -0.000160296   0.000057881
 C      0.215248      1.076672      1.403434    0.00   0.000758491   0.000057303   0.000748261
 H     -2.342557      1.154328     -1.950384    0.00  -0.000042615  -0.000003962  -0.000042487
 H     -2.158115      2.109303      0.543777    0.00   0.000060082   0.000019477  -0.000094524
 H     -1.570028      3.052823     -0.822348    0.00  -0.000037348   0.000001011  -0.000095347
 H      0.770597      2.023065     -0.460767    0.00  -0.000039694  -0.000021078   0.000045748
 H      0.217003      3.143035      0.790867    0.00   0.000008341   0.000005894  -0.000027913
 H     -2.927998     -0.208830      0.081283    0.00   0.000027129  -0.000053960  -0.000005492
 H     -0.530767      1.132570      2.214980    0.00   0.000098345   0.000062583   0.000009798
 H      1.239693      1.104263      1.831913    0.00   0.000102018   0.000010163   0.000132134
 H     -0.634216      0.746533     -1.769071    0.00  -0.000041113  -0.000014126  -0.000002076
 O     -1.062735     -2.029899      1.022648    0.00  -0.000462798   0.000158578  -0.000819508
 C     -2.177550     -1.493321     -1.513170    0.00   0.000264624   0.000058178   0.000565288
 H     -2.554436     -2.411517     -1.040758    0.00   0.000032815  -0.000012490   0.000060121
 H     -2.888737     -1.199447     -2.290383    0.00   0.000028748   0.000003254   0.000068493
 H     -1.228360     -1.763425     -2.006360    0.00   0.000016914   0.000039603   0.000050568
 H      0.546207     -2.862693      1.139285    0.00  -0.000008934  -0.000011144  -0.000030024
 O      0.202544     -0.270010      0.879378    0.00   0.000436978  -0.000549774   0.001267496
 O      1.114614     -2.434074     -1.184014    0.00  -0.000724872   0.000711588  -0.000254178
 C      1.807809     -3.058722     -0.410899    0.00  -0.000354875   0.000263573  -0.000249059
 H      2.779768     -3.522690     -0.588275    0.00  -0.000030922   0.000023737  -0.000020197
 O      1.440183     -3.292366      0.869610    0.00  -0.000132331  -0.000238917  -0.000487060
26
 Energy =      -0.307978720178
 C      0.014836      2.150095      0.344088    0.00   0.000066808  -0.000049667   0.000004159
 C     -1.389162      2.119617     -0.263382    0.00   0.000126441   0.000043006  -0.000672904
 C     -1.563504      0.916874     -1.193919    0.00  -0.000239597  -0.000105690  -0.000297991
 C     -1.968651     -0.374474     -0.475708    0.00   0.000107535  -0.000233160   0.000080468
 C     -0.966431     -0.922878      0.523577    0.00  -0.000067168  -0.000155603   0.000055632
 C      0.204402      1.082953      1.410434    0.00   0.000747080   0.000071391   0.000743551
 H     -2.335627      1.150380     -1.955894    0.00  -0.000044493  -0.000004520  -0.000043528
 H     -2.159462      2.119724      0.531190    0.00   0.000058761   0.000019787  -0.000097499
 H     -1.559806      3.053475     -0.836632    0.00  -0.000040619   0.000000344  -0.000095960
 H      0.775036      2.017322     -0.455197    0.00  -0.000039700  -0.000021942   0.000047011
 H      0.217922      3.146023      0.786947    0.00   0.000007162   0.000005656  -0.000026465
 H     -2.924747     -0.200711      0.085964    0.00   0.000027203  -0.000054992  -0.000006385
 H     -0.550126      1.142090      2.213825    0.00   0.000095942   0.000063988   0.000007953
 H      1.224297      1.112807      1.849547    0.00   0.000101945   0.000012979   0.000131778
 H     -0.628359      0.741338     -1.768254    0.00  -0.000042905  -0.000014401  -0.000001191
 O     -1.057314     -2.033646      1.015598    0.00  -0.000455974   0.000143314  -0.000814485
 C     -2.184073     -1.492204     -1.507574    0.00   0.000275270   0.000071427   0.000586211
 H     -2.561185     -2.408594     -1.031753    0.00   0.000033837  -0.000012228   0.000061807
 H     -2.897821     -1.198011     -2.282280    0.00   0.000030079   0.000003759   0.000071672
 H     -1.237749     -1.765949     -2.004164    0.00   0.000018595   0.000042336   0.000052557
 H      0.550765     -2.862033      1.136578    0.00  -0.000008392  -0.000012794  -0.000030264
 O      0.197899     -0.266312      0.892641    0.00   0.000433739  -0.000526543   0.001248349
 O      1.114442     -2.442663     -1.189555    0.00  -0.000665881   0.000645247  -0.000255907
 C      1.809511     -3.063840     -0.415284    0.00  -0.000349948   0.000262558  -0.000245746
 H      2.781172     -3.528346     -0.592936    0.00  -0.000032161   0.000027309  -0.000019387
 O      1.445078     -3.291559      0.867106    0.00  -0.000143559  -0.000221558  -0.000483437
26
 Energy =      -0.308152264426
 C      0.014832      2.151311      0.344338    0.00   0.000055431  -0.000049768   0.000008135
 C     -1.385474      2.122695     -0.271574    0.00   0.000110298   0.000042226  -0.000683446
 C     -1.558635      0.915385     -1.196295    0.00  -0.000254841  -0.000105789  -0.000302531
 C     -1.967687     -0.371999     -0.473039    0.00   0.000106848  -0.000228555   0.000083513
 C     -0.965181     -0.922373      0.525010    0.00  -0.000069364  -0.000150907   0.000053712
 C      0.193413      1.089093      1.417359    0.00   0.000736174   0.000085077   0.000738434
 H     -2.328369      1.146236     -1.961573    0.00  -0.000046309  -0.000005053  -0.000044457
 H     -2.160674      2.130179      0.518202    0.00   0.000057389   0.000020027  -0.000100391
 H     -1.549122      3.053895     -0.851183    0.00  -0.000043821  -0.000000336  -0.000096501
 H      0.779612      2.011508     -0.449370    0.00  -0.000039728  -0.000022707   0.000048170
 H      0.218851      3.148824      0.783195    0.00   0.000006018   0.000005435  -0.000025148
 H     -2.921400     -0.192354      0.090764    0.00   0.000027256  -0.000056008  -0.000007298
 H     -0.569658      1.151374      2.212383    0.00   0.000093657   0.000065255   0.000006183
 H      1.208577      1.121266      1.867193    0.00   0.000101829   0.000015675   0.000131307
 H     -0.622263      0.735796     -1.767326    0.00  -0.000044603  -0.000014612  -0.000000293
 O     -1.051784     -2.037317      1.008583    0.00  -0.000449564   0.000129456  -0.000809787
 C     -2.191019     -1.491089     -1.501794    0.00   0.000286304   0.000083858   0.000606900
 H     -2.568297     -2.405615     -1.022445    0.00   0.000034908  -0.000011995   0.000063460
 H     -2.907499     -1.196512     -2.273796    0.00   0.000031430   0.000004131   0.000074773
 H     -1.247747     -1.768563     -2.002017    0.00   0.000020305   0.000044975   0.000054601
 H      0.555516     -2.861194      1.133977    0.00  -0.000008006  -0.000014143  -0.000030474
 O      0.193150     -0.262668      0.905767    0.00   0.000430465  -0.000504164   0.001230843
 O      1.114490     -2.450556     -1.194819    0.00  -0.000610729   0.000581937  -0.000258671
 C      1.811161     -3.068924     -0.419699    0.00  -0.000344048   0.000260126  -0.000243148
 H      2.782237     -3.534467     -0.597879    0.00  -0.000032968   0.000030365  -0.000018582
 O      1.449935     -3.290921      0.864506    0.00  -0.000154332  -0.000204507  -0.000479301
26
 Energy =      -0.308324248083
 C      0.014887      2.152393      0.344646    0.00   0.000044239  -0.000049638   0.000011483
 C     -1.381562      2.125638     -0.279940    0.00   0.000094256   0.000041244  -0.000693760
 C     -1.553589      0.913718     -1.198725    0.00  -0.000269521  -0.000105726  -0.000306534
 C     -1.966770     -0.369544     -0.470334    0.00   0.000106510  -0.000224196   0.000086692
 C     -0.963934     -0.921916      0.526410    0.00  -0.000071230  -0.000146238   0.000052149
 C      0.182301      1.095091      1.424194    0.00   0.000725864   0.000098381   0.000733041
 H     -2.320806      1.141898     -1.967403    0.00  -0.000048052  -0.000005552  -0.000045274
 H     -2.161733      2.140649      0.504840    0.00   0.000055984   0.000020195  -0.000103192
 H     -1.537993      3.054075     -0.865966    0.00  -0.000046941  -0.000001025  -0.000096988
 H      0.784312      2.005624     -0.443305    0.00  -0.000039790  -0.000023372   0.000049228
 H      0.219798      3.151436      0.779601    0.00   0.000004903   0.000005232  -0.000023969
 H     -2.917958     -0.183771      0.095673    0.00   0.000027298  -0.000057005  -0.000008218
 H     -0.589319      1.160420      2.210655    0.00   0.000091510   0.000066401   0.000004501
 H      1.192563      1.129631      1.884807    0.00   0.000101678   0.000018236   0.000130744
 H     -0.615951      0.729921     -1.766289    0.00  -0.000046208  -0.000014756   0.000000606
 O     -1.046159     -2.040910      1.001606    0.00  -0.000443520   0.000116981  -0.000805472
 C     -2.198372     -1.489969     -1.495838    0.00   0.000297733   0.000095425   0.000627359
 H     -2.575764     -2.402573     -1.012845    0.00   0.000036021  -0.000011797   0.000065083
 H     -2.917746     -1.194939     -2.264941    0.00   0.000032800   0.000004379   0.000077792
 H     -1.258340     -1.771257     -1.999911    0.00   0.000022041   0.000047513   0.000056690
 H      0.560425     -2.860213      1.131469    0.00  -0.000007749  -0.000015212  -0.000030649
 O      0.188300     -0.259087      0.918748    0.00   0.000427245  -0.000482663   0.001215147
 O      1.114761     -2.457767     -1.199822    0.00  -0.000559648   0.000521689  -0.000262549
 C      1.812774     -3.073948     -0.424131    0.00  -0.000337436   0.000256453  -0.000241277
 H      2.783008     -3.540973     -0.603051    0.00  -0.000033422   0.000032932  -0.000017812
 O      1.454740     -3.290455      0.861818    0.00  -0.000164564  -0.000187879  -0.000474820
26
 Energy =      -0.308494996154
 C      0.015002      2.153341      0.345004    0.00   0.000033200  -0.000049282   0.000014227
 C     -1.377431      2.128439     -0.288460    0.00   0.000078363   0.000040064  -0.000703884
 C     -1.548382      0.911878     -1.201203    0.00  -0.000283585  -0.000105479  -0.000309996
 C     -1.965903     -0.367107     -0.467592    0.00   0.000106539  -0.000220109   0.000090022
 C     -0.962695     -0.921508      0.527778    0.00  -0.000072755  -0.000141606   0.000050960
 C      0.171088      1.100942      1.430926    0.00   0.000716195   0.000111326   0.000727479
 H     -2.312965      1.137378     -1.973360    0.00  -0.000049709  -0.000006006  -0.000045975
 H     -2.162627      2.151114      0.491129    0.00   0.000054566   0.000020296  -0.000105899
 H     -1.526435      3.054013     -0.880946    0.00  -0.000049972  -0.000001722  -0.000097437
 H      0.789123      1.999670     -0.437022    0.00  -0.000039900  -0.000023941   0.000050191
 H      0.220770      3.153857      0.776156    0.00   0.000003807   0.000005045  -0.000022926
 H     -2.914429     -0.174977      0.100682    0.00   0.000027336  -0.000057981  -0.000009130
 H     -0.609065      1.169231      2.208642    0.00   0.000089509   0.000067441   0.000002914
 H      1.176281      1.137894      1.902351    0.00   0.000101502   0.000020658   0.000130110
 H     -0.609449      0.723727     -1.765150    0.00  -0.000047722  -0.000014828   0.000001494
 O     -1.040455     -2.044425      0.994670    0.00  -0.000437774   0.000105839  -0.000801588
 C     -2.206120     -1.488833     -1.489709    0.00   0.000309555   0.000106111   0.000647583
 H     -2.583572     -2.399463     -1.002969    0.00   0.000037175  -0.000011630   0.000066683
 H     -2.928535     -1.193277     -2.255726    0.00   0.000034193   0.000004509   0.000080728
 H     -1.269510     -1.774017     -1.997836    0.00   0.000023797   0.000049942   0.000058817
 H      0.565460     -2.859123      1.129035    0.00  -0.000007597  -0.000016035  -0.000030788
 O      0.183352     -0.255576      0.931577    0.00   0.000424149  -0.000462033   0.001201332
 O      1.115259     -2.464316     -1.204579    0.00  -0.000512709   0.000464458  -0.000267556
 C      1.814361     -3.078891     -0.428563    0.00  -0.000330360   0.000251692  -0.000240119
 H      2.783527     -3.547790     -0.608404    0.00  -0.000033601   0.000035041  -0.000017100
 O      1.459483     -3.290156      0.859052    0.00  -0.000174201  -0.000171770  -0.000470142
26
 Energy =      -0.308664818775
 C      0.015180      2.154150      0.345403    0.00   0.000022271  -0.000048712   0.000016412
 C     -1.373087      2.131096     -0.297118    0.00   0.000062649   0.000038697  -0.000713843
 C     -1.543030      0.909870     -1.203719    0.00  -0.000297007  -0.000105035  -0.000312920
 C     -1.965090     -0.364686     -0.464816    0.00   0.000106954  -0.000216300   0.000093514
 C     -0.961472     -0.921146      0.529117    0.00  -0.000073930  -0.000137021   0.000050139
 C      0.159794      1.106645      1.437538    0.00   0.000707179   0.000123941   0.000721826
 H     -2.304877      1.132684     -1.979421    0.00  -0.000051272  -0.000006410  -0.000046563
 H     -2.163342      2.161558      0.477095    0.00   0.000053145   0.000020330  -0.000108508
 H     -1.514466      3.053706     -0.896089    0.00  -0.000052912  -0.000002427  -0.000097861
 H      0.794030      1.993645     -0.430543    0.00  -0.000040064  -0.000024415   0.000051066
 H      0.221775      3.156089      0.772847    0.00   0.000002721   0.000004874  -0.000022020
 H     -2.910815     -0.165982      0.105783    0.00   0.000027376  -0.000058933  -0.000010027
 H     -0.628859      1.177812      2.206347    0.00   0.000087660   0.000068390   0.000001424
 H      1.159758      1.146048      1.919788    0.00   0.000101309   0.000022941   0.000129424
 H     -0.602787      0.717230     -1.763914    0.00  -0.000049147  -0.000014826   0.000002364
 O     -1.034688     -2.047861      0.987775    0.00  -0.000432266   0.000095961  -0.000798157
 C     -2.214245     -1.487674     -1.483410    0.00   0.000321772   0.000115927   0.000667571
 H     -2.591710     -2.396279     -0.992834    0.00   0.000038366  -0.000011497   0.000068260
 H     -2.939836     -1.191512     -2.246163    0.00   0.000035607   0.000004531   0.000083579
 H     -1.281237     -1.776834     -1.995782    0.00   0.000025570   0.000052260   0.000060971
 H      0.570588     -2.857954      1.126659    0.00  -0.000007526  -0.000016638  -0.000030893
 O      0.178308     -0.252140      0.944250    0.00   0.000421232  -0.000442222   0.001189396
 O      1.115982     -2.470228     -1.209104    0.00  -0.000469863   0.000410139  -0.000273671
 C      1.815938     -3.083732     -0.432981    0.00  -0.000323024   0.000245986  -0.000239640
 H      2.783836     -3.554844     -0.613890    0.00  -0.000033574   0.000036729  -0.000016460
 O      1.464157     -3.290021      0.856216    0.00  -0.000183230  -0.000156271  -0.000465386
26
 Energy =      -0.308834005553
 C      0.015421      2.154820      0.345835    0.00   0.000011418  -0.000047938   0.000018075
 C     -1.368534      2.133604     -0.305897    0.00   0.000047127   0.000037147  -0.000723652
 C     -1.537553      0.907702     -1.206266    0.00  -0.000309759  -0.000104381  -0.000315315
 C     -1.964335     -0.362280     -0.462006    0.00   0.000107759  -0.000212760   0.000097169
 C     -0.960271     -0.920828      0.530427    0.00  -0.000074765  -0.000132480   0.000049686
 C      0.148433      1.112198      1.444023    0.00   0.000698805   0.000136257   0.000716143
 H     -2.296570      1.127825     -1.985564    0.00  -0.000052732  -0.000006756  -0.000047039
 H     -2.163868      2.171965      0.462766    0.00   0.000051733   0.000020299  -0.000111021
 H     -1.502103      3.053154     -0.911362    0.00  -0.000055761  -0.000003137  -0.000098266
 H      0.799020      1.987544     -0.423887    0.00  -0.000040287  -0.000024798   0.000051862
 H      0.222821      3.158130      0.769662    0.00   0.000001638   0.000004716  -0.000021241
 H     -2.907123     -0.156804      0.110965    0.00   0.000027424  -0.000059863  -0.000010896
 H     -0.648664      1.186165      2.203774    0.00   0.000085959   0.000069261   0.000000029
 H      1.143021      1.154086      1.937085    0.00   0.000101105   0.000025089   0.000128700
 H     -0.595992      0.710449     -1.762588    0.00  -0.000050488  -0.000014751   0.000003207
 O     -1.028871     -2.051219      0.980926    0.00  -0.000426926   0.000087268  -0.000795191
 C     -2.222729     -1.486483     -1.476950    0.00   0.000334376   0.000124890   0.000687318
 H     -2.600160     -2.393013     -0.982454    0.00   0.000039597  -0.000011393   0.000069819
 H     -2.951614     -1.189633     -2.236265    0.00   0.000037046   0.000004457   0.000086343
 H     -1.293499     -1.779691     -1.993740    0.00   0.000027353   0.000054467   0.000063144
 H      0.575784     -2.856732      1.124330    0.00  -0.000007517  -0.000017058  -0.000030967
 O      0.173169     -0.248785      0.956766    0.00   0.000418529  -0.000423169   0.001179272
 O      1.116937     -2.475530     -1.213419    0.00  -0.000430960   0.000358597  -0.000280841
 C      1.817515     -3.088456     -0.437374    0.00  -0.000315626   0.000239449  -0.000239780
 H      2.783973     -3.562074     -0.619471    0.00  -0.000033399   0.000038036  -0.000015902
 O      1.468756     -3.290044      0.853317    0.00  -0.000191650  -0.000141448  -0.000460657
26
 Energy =       -0.30900282207
 C      0.015727      2.155349      0.346293    0.00   0.000000606  -0.000046978   0.000019281
 C     -1.363779      2.135964     -0.314782    0.00   0.000031798   0.000035427  -0.000733313
 C     -1.531968      0.905384     -1.208835    0.00  -0.000321839  -0.000103505  -0.000317186
 C     -1.963637     -0.359886     -0.459164    0.00   0.000108950  -0.000209484   0.000100981
 C     -0.959097     -0.920550      0.531711    0.00  -0.000075261  -0.000127974   0.000049568
 C      0.137025      1.117602      1.450371    0.00   0.000691038   0.000148297   0.000710458
 H     -2.288077      1.122815     -1.991766    0.00  -0.000054088  -0.000007045  -0.000047408
 H     -2.164195      2.182323      0.448166    0.00   0.000050335   0.000020205  -0.000113436
 H     -1.489364      3.052357     -0.926734    0.00  -0.000058520  -0.000003853  -0.000098660
 H      0.804080      1.981365     -0.417075    0.00  -0.000040572  -0.000025097   0.000052587
 H      0.223917      3.159980      0.766588    0.00   0.000000551   0.000004571  -0.000020585
 H     -2.903358     -0.147453      0.116218    0.00   0.000027483  -0.000060761  -0.000011735
 H     -0.668449      1.194300      2.200927    0.00   0.000084399   0.000070068  -0.000001276
 H      1.126092      1.162008      1.954213    0.00   0.000100896   0.000027109   0.000127949
 H     -0.589092      0.703400     -1.761181    0.00  -0.000051750  -0.000014600   0.000004019
 O     -1.023018     -2.054495      0.974119    0.00  -0.000421701   0.000079673  -0.000792681
 C     -2.231555     -1.485250     -1.470331    0.00   0.000347366   0.000133038   0.000706824
 H     -2.608909     -2.389660     -0.971846    0.00   0.000040861  -0.000011314   0.000071361
 H     -2.963839     -1.187625     -2.226046    0.00   0.000038513   0.000004291   0.000089015
 H     -1.306273     -1.782577     -1.991701    0.00   0.000029144   0.000056560   0.000065331
 H      0.581024     -2.855478      1.122031    0.00  -0.000007550  -0.000017318  -0.000031014
 O      0.167938     -0.245515      0.969122    0.00   0.000416061  -0.000404801   0.001170857
 O      1.118126     -2.480255     -1.217536    0.00  -0.000395818   0.000309642  -0.000288992
 C      1.819108     -3.093053     -0.441734    0.00  -0.000308299   0.000232213  -0.000240493
 H      2.783974     -3.569422     -0.625107    0.00  -0.000033126   0.000038999  -0.000015426
 O      1.473275     -3.290217      0.850365    0.00  -0.000199475  -0.000127363  -0.000456026
26
 Energy =      -0.309171508003
 C      0.016097      2.155735      0.346770    0.00  -0.000010195  -0.000045844   0.000020073
 C     -1.358828      2.138172     -0.323755    0.00   0.000016657   0.000033545  -0.000742817
 C     -1.526294      0.902920     -1.211421    0.00  -0.000333246  -0.000102400  -0.000318552
 C     -1.963003     -0.357504     -0.456290    0.00   0.000110515  -0.000206453   0.000104947
 C     -0.957959     -0.920312      0.532972    0.00  -0.000075433  -0.000123492   0.000049771
 C      0.125583      1.122858      1.456572    0.00   0.000683828   0.000160084   0.000704792
 H     -2.279430      1.117663     -1.998005    0.00  -0.000055334  -0.000007273  -0.000047674
 H     -2.164314      2.192622      0.433323    0.00   0.000048952   0.000020053  -0.000115757
 H     -1.476269      3.051318     -0.942176    0.00  -0.000061195  -0.000004573  -0.000099042
 H      0.809197      1.975104     -0.410126    0.00  -0.000040918  -0.000025315   0.000053249
 H      0.225070      3.161639      0.763613    0.00  -0.000000545   0.000004436  -0.000020041
 H     -2.899527     -0.137943      0.121536    0.00   0.000027556  -0.000061631  -0.000012537
 H     -0.688185      1.202223      2.197811    0.00   0.000082971   0.000070818  -0.000002500
 H      1.108996      1.169808      1.971146    0.00   0.000100684   0.000029010   0.000127177
 H     -0.582117      0.696103     -1.759701    0.00  -0.000052936  -0.000014377   0.000004799
 O     -1.017144     -2.057690      0.967357    0.00  -0.000416523   0.000073090  -0.000790607
 C     -2.240702     -1.483965     -1.463560    0.00   0.000360720   0.000140407   0.000726076
 H     -2.617944     -2.386212     -0.961026    0.00   0.000042158  -0.000011259   0.000072889
 H     -2.976475     -1.185479     -2.215521    0.00   0.000040007   0.000004045   0.000091596
 H     -1.319535     -1.785478     -1.989654    0.00   0.000030937   0.000058539   0.000067524
 H      0.586286     -2.854213      1.119753    0.00  -0.000007612  -0.000017448  -0.000031041
 O      0.162616     -0.242332      0.981318    0.00   0.000413840  -0.000387035   0.001164011
 O      1.119550     -2.484435     -1.221474    0.00  -0.000364194   0.000263096  -0.000298045
 C      1.820727     -3.097512     -0.446051    0.00  -0.000301174   0.000224370  -0.000241712
 H      2.783874     -3.576840     -0.630767    0.00  -0.000032793   0.000039659  -0.000015029
 O      1.477709     -3.290532      0.847366    0.00  -0.000206726  -0.000114052  -0.000451552
26
 Energy =      -0.309340276423
 C      0.016530      2.155977      0.347259    0.00  -0.000021001  -0.000044551   0.000020509
 C     -1.353688      2.140231     -0.332803    0.00   0.000001690   0.000031514  -0.000752144
 C     -1.520550      0.900321     -1.214016    0.00  -0.000343990  -0.000101062  -0.000319425
 C     -1.962432     -0.355128     -0.453387    0.00   0.000112449  -0.000203638   0.000109050
 C     -0.956860     -0.920109      0.534210    0.00  -0.000075301  -0.000119015   0.000050282
 C      0.114121      1.127966      1.462621    0.00   0.000677118   0.000171636   0.000699144
 H     -2.270657      1.112381     -2.004262    0.00  -0.000056472  -0.000007440  -0.000047840
 H     -2.164217      2.202853      0.418261    0.00   0.000047587   0.000019844  -0.000117984
 H     -1.462833      3.050038     -0.957658    0.00  -0.000063791  -0.000005298  -0.000099413
 H      0.814358      1.968755     -0.403054    0.00  -0.000041323  -0.000025458   0.000053857
 H      0.226289      3.163111      0.760726    0.00  -0.000001653   0.000004310  -0.000019599
 H     -2.895634     -0.128288      0.126908    0.00   0.000027643  -0.000062467  -0.000013301
 H     -0.707846      1.209943      2.194433    0.00   0.000081663   0.000071516  -0.000003649
 H      1.091753      1.177486      1.987864    0.00   0.000100470   0.000030800   0.000126388
 H     -0.575094      0.688575     -1.758157    0.00  -0.000054050  -0.000014082   0.000005543
 O     -1.011258     -2.060805      0.960640    0.00  -0.000411331   0.000067428  -0.000788947
 C     -2.250153     -1.482621     -1.456643    0.00   0.000374418   0.000147035   0.000745063
 H     -2.627247     -2.382666     -0.950008    0.00   0.000043489  -0.000011224   0.000074404
 H     -2.989492     -1.183181     -2.204706    0.00   0.000041526   0.000003725   0.000094081
 H     -1.333260     -1.788385     -1.987586    0.00   0.000032727   0.000060406   0.000069720
 H      0.591556     -2.852949      1.117483    0.00  -0.000007692  -0.000017474  -0.000031055
 O      0.157205     -0.239240      0.993358    0.00   0.000411861  -0.000369802   0.001158578
 O      1.121210     -2.488104     -1.225249    0.00  -0.000335830   0.000218770  -0.000307918
 C      1.822383     -3.101828     -0.450319    0.00  -0.000294353   0.000216005  -0.000243361
 H      2.783701     -3.584288     -0.636423    0.00  -0.000032431   0.000040055  -0.000014705
 O      1.482059     -3.290978      0.844328    0.00  -0.000213422  -0.000101533  -0.000447279
26
 Energy =      -0.309509313823
 C      0.017030      2.156077      0.347754    0.00  -0.000031829  -0.000043110   0.000020638
 C     -1.348367      2.142139     -0.341912    0.00  -0.000013115   0.000029343  -0.000761268
 C     -1.514752      0.897595     -1.216615    0.00  -0.000354083  -0.000099489  -0.000319822
 C     -1.961929     -0.352759     -0.450456    0.00   0.000114721  -0.000201017   0.000113279
 C     -0.955807     -0.919937      0.535428    0.00  -0.000074864  -0.000114551   0.000051062
 C      0.102650      1.132930      1.468515    0.00   0.000670843   0.000182961   0.000693502
 H     -2.261789      1.106980     -2.010517    0.00  -0.000057502  -0.000007548  -0.000047912
 H     -2.163901      2.213006      0.403001    0.00   0.000046238   0.000019582  -0.000120122
 H     -1.449073      3.048520     -0.973158    0.00  -0.000066314  -0.000006025  -0.000099769
 H      0.819553      1.962314     -0.395878    0.00  -0.000041781  -0.000025531   0.000054416
 H      0.227581      3.164394      0.757916    0.00  -0.000002776   0.000004190  -0.000019247
 H     -2.891683     -0.118499      0.132326    0.00   0.000027746  -0.000063269  -0.000014025
 H     -0.727409      1.217465      2.190798    0.00   0.000080461   0.000072169  -0.000004732
 H      1.074382      1.185041      2.004347    0.00   0.000100256   0.000032491   0.000125581
 H     -0.568047      0.680832     -1.756558    0.00  -0.000055097  -0.000013718   0.000006252
 O     -1.005374     -2.063838      0.953963    0.00  -0.000406081   0.000062610  -0.000787646
 C     -2.259891     -1.481210     -1.449585    0.00   0.000388421   0.000152948   0.000763771
 H     -2.636807     -2.379014     -0.938808    0.00   0.000044854  -0.000011205   0.000075904
 H     -3.002855     -1.180724     -2.193614    0.00   0.000043072   0.000003342   0.000096466
 H     -1.347425     -1.791283     -1.985491    0.00   0.000034507   0.000062162   0.000071914
 H      0.596817     -2.851698      1.115215    0.00  -0.000007779  -0.000017417  -0.000031061
 O      0.151705     -0.236240      1.005240    0.00   0.000410116  -0.000353006   0.001154402
 O      1.123109     -2.491294     -1.228873    0.00  -0.000310476   0.000176472  -0.000318520
 C      1.824087     -3.105997     -0.454533    0.00  -0.000287890   0.000207205  -0.000245391
 H      2.783483     -3.591729     -0.642053    0.00  -0.000032061   0.000040224  -0.000014447
 O      1.486324     -3.291547      0.841257    0.00  -0.000219586  -0.000089813  -0.000443223
26
 Energy =      -0.309678780617
 C      0.017592      2.156033      0.348251    0.00  -0.000042686  -0.000041534   0.000020507
 C     -1.342871      2.143898     -0.351069    0.00  -0.000027780   0.000027049  -0.000770154
 C     -1.508916      0.894749     -1.219212    0.00  -0.000363541  -0.000097680  -0.000319760
 C     -1.961493     -0.350391     -0.447497    0.00   0.000117315  -0.000198557   0.000117616
 C     -0.954803     -0.919796      0.536625    0.00  -0.000074142  -0.000110081   0.000052098
 C      0.091180      1.137750      1.474249    0.00   0.000664936   0.000194061   0.000687846
 H     -2.252853      1.101470     -2.016754    0.00  -0.000058425  -0.000007598  -0.000047895
 H     -2.163358      2.223079      0.387565    0.00   0.000044902   0.000019270  -0.000122172
 H     -1.435006      3.046767     -0.988653    0.00  -0.000068768  -0.000006753  -0.000100106
 H      0.824770      1.955779     -0.388610    0.00  -0.000042287  -0.000025538   0.000054932
 H      0.228953      3.165491      0.755172    0.00  -0.000003915   0.000004077  -0.000018976
 H     -2.887681     -0.108587      0.137783    0.00   0.000027863  -0.000064033  -0.000014709
 H     -0.746855      1.224799      2.186917    0.00   0.000079352   0.000072778  -0.000005757
 H      1.056901      1.192471      2.020580    0.00   0.000100039   0.000034089   0.000124757
 H     -0.561002      0.672892     -1.754910    0.00  -0.000056078  -0.000013288   0.000006928
 O     -0.999501     -2.066788      0.947328    0.00  -0.000400717   0.000058551  -0.000786660
 C     -2.269896     -1.479723     -1.442391    0.00   0.000402691   0.000158182   0.000782172
 H     -2.646611     -2.375251     -0.927438    0.00   0.000046252  -0.000011201   0.000077389
 H     -3.016535     -1.178095     -2.182261    0.00   0.000044639   0.000002901   0.000098744
 H     -1.362008     -1.794166     -1.983357    0.00   0.000036271   0.000063805   0.000074102
 H      0.602059     -2.850467      1.112941    0.00  -0.000007867  -0.000017294  -0.000031067
 O      0.146117     -0.233333      1.016966    0.00   0.000408588  -0.000336587   0.001151314
 O      1.125244     -2.494037     -1.232361    0.00  -0.000287872   0.000136028  -0.000329767
 C      1.825848     -3.110019     -0.458687    0.00  -0.000281835   0.000198042  -0.000247741
 H      2.783242     -3.599139     -0.647634    0.00  -0.000031699   0.000040196  -0.000014243
 O      1.490504     -3.292230      0.838161    0.00  -0.000225236  -0.000078886  -0.000439397
26
 Energy =      -0.309848811854
 C      0.018218      2.155844      0.348745    0.00  -0.000053574  -0.000039830   0.000020158
 C     -1.337207      2.145509     -0.360263    0.00  -0.000042320   0.000024644  -0.000778766
 C     -1.503056      0.891791     -1.221803    0.00  -0.000372383  -0.000095634  -0.000319255
 C     -1.961127     -0.348024     -0.444513    0.00   0.000120203  -0.000196232   0.000122041
 C     -0.953854     -0.919680      0.537805    0.00  -0.000073145  -0.000105596   0.000053372
 C      0.079722      1.142432      1.479821    0.00   0.000659326   0.000204936   0.000682146
 H     -2.243874      1.095861     -2.022957    0.00  -0.000059244  -0.000007593  -0.000047792
 H     -2.162584      2.233064      0.371974    0.00   0.000043576   0.000018910  -0.000124135
 H     -1.420648      3.044783     -1.004120    0.00  -0.000071157  -0.000007480  -0.000100417
 H      0.830001      1.949142     -0.381263    0.00  -0.000042836  -0.000025483   0.000055411
 H      0.230408      3.166402      0.752487    0.00  -0.000005071   0.000003969  -0.000018775
 H     -2.883632     -0.098562      0.143271    0.00   0.000027993  -0.000064756  -0.000015355
 H     -0.766166      1.231952      2.182795    0.00   0.000078323   0.000073342  -0.000006731
 H      1.039326      1.199780      2.036550    0.00   0.000099816   0.000035602   0.000123911
 H     -0.553979      0.664768     -1.753223    0.00  -0.000056995  -0.000012795   0.000007572
 O     -0.993647     -2.069655      0.940732    0.00  -0.000395191   0.000055178  -0.000785927
 C     -2.280153     -1.478155     -1.435066    0.00   0.000417178   0.000162759   0.000800235
 H     -2.656646     -2.371370     -0.915912    0.00   0.000047681  -0.000011209   0.000078859
 H     -3.030499     -1.175289     -2.170663    0.00   0.000046224   0.000002407   0.000100909
 H     -1.376986     -1.797022     -1.981172    0.00   0.000038011   0.000065335   0.000076283
 H      0.607275     -2.849261      1.110654    0.00  -0.000007948  -0.000017123  -0.000031077
 O      0.140443     -0.230520      1.028539    0.00   0.000407258  -0.000320480   0.001149151
 O      1.127618     -2.496365     -1.235726    0.00  -0.000267774   0.000097273  -0.000341576
 C      1.827672     -3.113893     -0.462782    0.00  -0.000276205   0.000188576  -0.000250356
 H      2.782999     -3.606493     -0.653152    0.00  -0.000031356   0.000040004  -0.000014086
 O      1.494601     -3.293016      0.835043    0.00  -0.000230392  -0.000068725  -0.000435800
26
 Energy =      -0.310019518003
 C      0.018906      2.155514      0.349234    0.00  -0.000064494  -0.000038008   0.000019628
 C     -1.331381      2.146974     -0.369483    0.00  -0.000056746   0.000022143  -0.000787061
 C     -1.497187      0.888729     -1.224383    0.00  -0.000380625  -0.000093349  -0.000318318
 C     -1.960834     -0.345655     -0.441504    0.00   0.000123355  -0.000194019   0.000126534
 C     -0.952964     -0.919588      0.538969    0.00  -0.000071884  -0.000101085   0.000054866
 C      0.068282      1.146977      1.485228    0.00   0.000653946   0.000215573   0.000676370
 H     -2.234878      1.090164     -2.029115    0.00  -0.000059963  -0.000007536  -0.000047608
 H     -2.161579      2.242956      0.356245    0.00   0.000042255   0.000018507  -0.000126010
 H     -1.406013      3.042570     -1.019543    0.00  -0.000073487  -0.000008205  -0.000100695
 H      0.835235      1.942403     -0.373850    0.00  -0.000043420  -0.000025370   0.000055856
 H      0.231954      3.167130      0.749851    0.00  -0.000006243   0.000003865  -0.000018635
 H     -2.879540     -0.088436      0.148784    0.00   0.000028135  -0.000065434  -0.000015964
 H     -0.785327      1.238932      2.178441    0.00   0.000077362   0.000073858  -0.000007660
 H      1.021673      1.206966      2.052247    0.00   0.000099586   0.000037037   0.000123039
 H     -0.546999      0.656475     -1.751505    0.00  -0.000057850  -0.000012242   0.000008187
 O     -0.987821     -2.072440      0.934174    0.00  -0.000389457   0.000052418  -0.000785378
 C     -2.290644     -1.476500     -1.427616    0.00   0.000431816   0.000166701   0.000817920
 H     -2.666904     -2.367368     -0.904240    0.00   0.000049141  -0.000011226   0.000080312
 H     -3.044718     -1.172296     -2.158833    0.00   0.000047821   0.000001867   0.000102953
 H     -1.392337     -1.799847     -1.978927    0.00   0.000039719   0.000066748   0.000078450
 H      0.612458     -2.848083      1.108350    0.00  -0.000008020  -0.000016914  -0.000031095
 O      0.134682     -0.227799      1.039962    0.00   0.000406103  -0.000304632   0.001147756
 O      1.130230     -2.498307     -1.238978    0.00  -0.000249943   0.000060062  -0.000353863
 C      1.829567     -3.117623     -0.466813    0.00  -0.000271008   0.000178872  -0.000253188
 H      2.782772     -3.613777     -0.658595    0.00  -0.000031037   0.000039674  -0.000013966
 O      1.498617     -3.293896      0.831909    0.00  -0.000235061  -0.000059305  -0.000432427
26
 Energy =      -0.310190985735
 C      0.019656      2.155039      0.349712    0.00  -0.000075438  -0.000036073   0.000018947
 C     -1.325401      2.148292     -0.378720    0.00  -0.000071077   0.000019562  -0.000794989
 C     -1.491322      0.885569     -1.226950    0.00  -0.000388285  -0.000090829  -0.000316965
 C     -1.960612     -0.343281     -0.438472    0.00   0.000126741  -0.000191888   0.000131073
 C     -0.952135     -0.919516      0.540116    0.00  -0.000070369  -0.000096545   0.000056569
 C      0.056869      1.151387      1.490472    0.00   0.000648727   0.000225958   0.000670478
 H     -2.225885      1.084386     -2.035213    0.00  -0.000060584  -0.000007431  -0.000047347
 H     -2.160339      2.252752      0.340395    0.00   0.000040935   0.000018061  -0.000127800
 H     -1.391116      3.040131     -1.034905    0.00  -0.000075761  -0.000008925  -0.000100934
 H      0.840464      1.935558     -0.366380    0.00  -0.000044033  -0.000025201   0.000056269
 H      0.233592      3.167677      0.747258    0.00  -0.000007429   0.000003766  -0.000018547
 H     -2.875411     -0.078218      0.154312    0.00   0.000028284  -0.000066062  -0.000016539
 H     -0.804327      1.245748      2.173860    0.00   0.000076455   0.000074325  -0.000008552
 H      1.003954      1.214033      2.067662    0.00   0.000099342   0.000038396   0.000122134
 H     -0.540080      0.648024     -1.749761    0.00  -0.000058645  -0.000011631   0.000008776
 O     -0.982032     -2.075141      0.927653    0.00  -0.000383472   0.000050204  -0.000784938
 C     -2.301355     -1.474750     -1.420042    0.00   0.000446538   0.000170021   0.000835176
 H     -2.677376     -2.363239     -0.892433    0.00   0.000050630  -0.000011252   0.000081744
 H     -3.059162     -1.169111     -2.146788    0.00   0.000049425   0.000001283   0.000104866
 H     -1.408039     -1.802633     -1.976611    0.00   0.000041385   0.000068041   0.000080603
 H      0.617603     -2.846934      1.106024    0.00  -0.000008078  -0.000016678  -0.000031123
 O      0.128836     -0.225171      1.051235    0.00   0.000405097  -0.000288996   0.001146979
 O      1.133077     -2.499888     -1.242127    0.00  -0.000234161   0.000024265  -0.000366546
 C      1.831539     -3.121211     -0.470780    0.00  -0.000266231   0.000168983  -0.000256196
 H      2.782572     -3.620978     -0.663951    0.00  -0.000030744   0.000039228  -0.000013875
 O      1.502556     -3.294861      0.828763    0.00  -0.000239253  -0.000050583  -0.000429263
26
 Energy =      -0.310363278606
 C      0.020465      2.154423      0.350181    0.00  -0.000086401  -0.000034034   0.000018144
 C     -1.319271      2.149467     -0.387965    0.00  -0.000085321   0.000016916  -0.000802503
 C     -1.485471      0.882317     -1.229499    0.00  -0.000395377  -0.000088073  -0.000315203
 C     -1.960462     -0.340900     -0.435418    0.00   0.000130331  -0.000189807   0.000135633
 C     -0.951372     -0.919462      0.541250    0.00  -0.000068609  -0.000091980   0.000058467
 C      0.045490      1.155668      1.495551    0.00   0.000643607   0.000236068   0.000664430
 H     -2.216915      1.078539     -2.041241    0.00  -0.000061111  -0.000007280  -0.000047011
 H     -2.158862      2.262449      0.324441    0.00   0.000039609   0.000017576  -0.000129501
 H     -1.375968      3.037471     -1.050191    0.00  -0.000077979  -0.000009638  -0.000101124
 H      0.845681      1.928603     -0.358862    0.00  -0.000044667  -0.000024981   0.000056655
 H      0.235327      3.168043      0.744701    0.00  -0.000008630   0.000003671  -0.000018504
 H     -2.871247     -0.067915      0.159852    0.00   0.000028438  -0.000066637  -0.000017080
 H     -0.823151      1.252404      2.169064    0.00   0.000075591   0.000074738  -0.000009410
 H      0.986184      1.220982      2.082787    0.00   0.000099081   0.000039686   0.000121188
 H     -0.533238      0.639430     -1.748001    0.00  -0.000059377  -0.000010964   0.000009342
 O     -0.976284     -2.077758      0.921165    0.00  -0.000377200   0.000048474  -0.000784525
 C     -2.312270     -1.472903     -1.412353    0.00   0.000461266   0.000172728   0.000851947
 H     -2.688052     -2.358977     -0.880501    0.00   0.000052147  -0.000011285   0.000083150
 H     -3.073804     -1.165729     -2.134542    0.00   0.000051025   0.000000663   0.000106637
 H     -1.424071     -1.805377     -1.974213    0.00   0.000042998   0.000069210   0.000082736
 H      0.622706     -2.845813      1.103672    0.00  -0.000008119  -0.000016424  -0.000031164
 O      0.122905     -0.222636      1.062364    0.00   0.000404215  -0.000273532   0.001146679
 O      1.136159     -2.501136     -1.245182    0.00  -0.000220215  -0.000010223  -0.000379551
 C      1.833590     -3.124660     -0.474682    0.00  -0.000261848   0.000158951  -0.000259338
 H      2.782415     -3.628087     -0.669212    0.00  -0.000030479   0.000038686  -0.000013807
 O      1.506420     -3.295901      0.825611    0.00  -0.000242978  -0.000042510  -0.000426288
26
 Energy =      -0.310536437684
 C      0.021333      2.153667      0.350635    0.00  -0.000097371  -0.000031893   0.000017240
 C     -1.312998      2.150499     -0.397209    0.00  -0.000099483   0.000014220  -0.000809549
 C     -1.479645      0.878978     -1.232029    0.00  -0.000401913  -0.000085081  -0.000313042
 C     -1.960388     -0.338512     -0.432342    0.00   0.000134087  -0.000187757   0.000140192
 C     -0.950677     -0.919423      0.542372    0.00  -0.000066612  -0.000087381   0.000060554
 C      0.034150      1.159821      1.500468    0.00   0.000638523   0.000245875   0.000658182
 H     -2.207986      1.072626     -2.047193    0.00  -0.000061546  -0.000007087  -0.000046603
 H     -2.157148      2.272043      0.308395    0.00   0.000038273   0.000017054  -0.000131112
 H     -1.360586      3.034589     -1.065386    0.00  -0.000080144  -0.000010342  -0.000101258
 H      0.850879      1.921538     -0.351305    0.00  -0.000045314  -0.000024710   0.000057013
 H      0.237161      3.168232      0.742175    0.00  -0.000009843   0.000003581  -0.000018500
 H     -2.867054     -0.057537      0.165395    0.00   0.000028595  -0.000067150  -0.000017592
 H     -0.841791      1.258910      2.164062    0.00   0.000074760   0.000075091  -0.000010240
 H      0.968375      1.227814      2.097616    0.00   0.000098797   0.000040907   0.000120196
 H     -0.526488      0.630699     -1.746229    0.00  -0.000060049  -0.000010246   0.000009887
 O     -0.970584     -2.080291      0.914712    0.00  -0.000370597   0.000047167  -0.000784053
 C     -2.323375     -1.470956     -1.404548    0.00   0.000475911   0.000174828   0.000868166
 H     -2.698927     -2.354579     -0.868452    0.00   0.000053687  -0.000011324   0.000084528
 H     -3.088615     -1.162146     -2.122112    0.00   0.000052616   0.000000011   0.000108254
 H     -1.440414     -1.808075     -1.971721    0.00   0.000044549   0.000070250   0.000084844
 H      0.627765     -2.844720      1.101291    0.00  -0.000008142  -0.000016153  -0.000031217
 O      0.116892     -0.220191      1.073350    0.00   0.000403427  -0.000258215   0.001146726
 O      1.139474     -2.502075     -1.248155    0.00  -0.000207916  -0.000043493  -0.000392798
 C      1.835727     -3.127975     -0.478520    0.00  -0.000257824   0.000148826  -0.000262579
 H      2.782308     -3.635098     -0.674372    0.00  -0.000030238   0.000038064  -0.000013755
 O      1.510211     -3.297010      0.822453    0.00  -0.000246234  -0.000035041  -0.000423483
26
 Energy =      -0.310710482082
 C      0.022258      2.152770      0.351074    0.00  -0.000108337  -0.000029656   0.000016249
 C     -1.306589      2.151390     -0.406446    0.00  -0.000113571   0.000011492  -0.000816074
 C     -1.473853      0.875557     -1.234537    0.00  -0.000407903  -0.000081859  -0.000310490
 C     -1.960386     -0.336114     -0.429249    0.00   0.000137975  -0.000185706   0.000144723
 C     -0.950054     -0.919397      0.543482    0.00  -0.000064383  -0.000082758   0.000062824
 C      0.022853      1.163852      1.505222    0.00   0.000633416   0.000255345   0.000651694
 H     -2.199114      1.066658     -2.053059    0.00  -0.000061892  -0.000006855  -0.000046125
 H     -2.155196      2.281533      0.292271    0.00   0.000036922   0.000016497  -0.000132629
 H     -1.344978      3.031490     -1.080481    0.00  -0.000082255  -0.000011035  -0.000101326
 H      0.856052      1.914360     -0.343716    0.00  -0.000045969  -0.000024389   0.000057345
 H      0.239096      3.168244      0.739674    0.00  -0.000011066   0.000003496  -0.000018528
 H     -2.862833     -0.047091      0.170935    0.00   0.000028750  -0.000067599  -0.000018076
 H     -0.860237      1.265274      2.158861    0.00   0.000073951   0.000075377  -0.000011045
 H      0.950537      1.234533      2.112146    0.00   0.000098485   0.000042061   0.000119148
 H     -0.519843      0.621844     -1.744451    0.00  -0.000060658  -0.000009478   0.000010414
 O     -0.964939     -2.082740      0.908290    0.00  -0.000363633   0.000046230  -0.000783427
 C     -2.334654     -1.468904     -1.396635    0.00   0.000490381   0.000176325   0.000883759
 H     -2.709994     -2.350040     -0.856294    0.00   0.000055248  -0.000011368   0.000085870
 H     -3.103570     -1.158357     -2.109513    0.00   0.000054186  -0.000000670   0.000109704
 H     -1.457044     -1.810726     -1.969125    0.00   0.000046026   0.000071154   0.000086923
 H      0.632779     -2.843651      1.098879    0.00  -0.000008145  -0.000015874  -0.000031283
 O      0.110795     -0.217836      1.084198    0.00   0.000402711  -0.000243018   0.001146995
 O      1.143018     -2.502725     -1.251050    0.00  -0.000197077  -0.000075616  -0.000406215
 C      1.837950     -3.131160     -0.482292    0.00  -0.000254121   0.000138644  -0.000265887
 H      2.782260     -3.642006     -0.679427    0.00  -0.000030018   0.000037376  -0.000013716
 O      1.513931     -3.298178      0.819293    0.00  -0.000249023  -0.000028115  -0.000420824
26
 Energy =      -0.310885409453
 C      0.023239      2.151734      0.351495    0.00  -0.000119286  -0.000027328   0.000015186
 C     -1.300048      2.152140     -0.415669    0.00  -0.000127582   0.000008744  -0.000822020
 C     -1.468104      0.872061     -1.237022    0.00  -0.000413357  -0.000078407  -0.000307553
 C     -1.960459     -0.333704     -0.426138    0.00   0.000141959  -0.000183633   0.000149199
 C     -0.949505     -0.919381      0.544583    0.00  -0.000061932  -0.000078110   0.000065273
 C      0.011607      1.167763      1.509816    0.00   0.000628229   0.000264444   0.000644921
 H     -2.190314      1.060638     -2.058833    0.00  -0.000062151  -0.000006588  -0.000045581
 H     -2.153007      2.290915      0.276081    0.00   0.000035550   0.000015906  -0.000134050
 H     -1.329159      3.028174     -1.095465    0.00  -0.000084313  -0.000011713  -0.000101320
 H      0.861192      1.907066     -0.336102    0.00  -0.000046623  -0.000024021   0.000057650
 H      0.241134      3.168083      0.737196    0.00  -0.000012299   0.000003416  -0.000018584
 H     -2.858589     -0.036585      0.176466    0.00   0.000028900  -0.000067974  -0.000018533
 H     -0.878481      1.271501      2.153468    0.00   0.000073155   0.000075589  -0.000011828
 H      0.932684      1.241143      2.126373    0.00   0.000098139   0.000043147   0.000118035
 H     -0.513312      0.612870     -1.742673    0.00  -0.000061203  -0.000008664   0.000010926
 O     -0.959350     -2.085104      0.901899    0.00  -0.000356272   0.000045606  -0.000782553
 C     -2.346095     -1.466745     -1.388617    0.00   0.000504580   0.000177222   0.000898644
 H     -2.721247     -2.345357     -0.844033    0.00   0.000056824  -0.000011416   0.000087170
 H     -3.118640     -1.154362     -2.096762    0.00   0.000055725  -0.000001374   0.000110974
 H     -1.473943     -1.813330     -1.966413    0.00   0.000047418   0.000071918   0.000088965
 H      0.637748     -2.842605      1.096433    0.00  -0.000008127  -0.000015584  -0.000031359
 O      0.104616     -0.215569      1.094909    0.00   0.000402039  -0.000227928   0.001147373
 O      1.146790     -2.503107     -1.253876    0.00  -0.000187531  -0.000106649  -0.000419726
 C      1.840263     -3.134220     -0.486004    0.00  -0.000250686   0.000128443  -0.000269236
 H      2.782278     -3.648810     -0.684375    0.00  -0.000029815   0.000036633  -0.000013684
 O      1.517587     -3.299399      0.816133    0.00  -0.000251341  -0.000021680  -0.000418289
26
 Energy =      -0.311061196425
 C      0.024276      2.150561      0.351899    0.00  -0.000130205  -0.000024913   0.000014058
 C     -1.293380      2.152752     -0.424872    0.00  -0.000141513   0.000005993  -0.000827333
 C     -1.462404      0.868491     -1.239483    0.00  -0.000418278  -0.000074729  -0.000304234
 C     -1.960606     -0.331284     -0.423009    0.00   0.000146002  -0.000181510   0.000153594
 C     -0.949031     -0.919373      0.545674    0.00  -0.000059263  -0.000073446   0.000067900
 C      0.000415      1.171558      1.514250    0.00   0.000622913   0.000273129   0.000637819
 H     -2.181599      1.054574     -2.064511    0.00  -0.000062327  -0.000006288  -0.000044971
 H     -2.150580      2.300187      0.259836    0.00   0.000034152   0.000015284  -0.000135370
 H     -1.313138      3.024645     -1.110327    0.00  -0.000086315  -0.000012372  -0.000101230
 H      0.866297      1.899657     -0.328468    0.00  -0.000047269  -0.000023605   0.000057929
 H      0.243276      3.167749      0.734734    0.00  -0.000013539   0.000003341  -0.000018663
 H     -2.854326     -0.026026      0.181981    0.00   0.000029041  -0.000068271  -0.000018966
 H     -0.896516      1.277602      2.147896    0.00   0.000072365   0.000075720  -0.000012593
 H      0.914827      1.247645      2.140295    0.00   0.000097752   0.000044165   0.000116850
 H     -0.506908      0.603787     -1.740900    0.00  -0.000061682  -0.000007805   0.000011424
 O     -0.953826     -2.087382      0.895540    0.00  -0.000348486   0.000045249  -0.000781329
 C     -2.357686     -1.464478     -1.380494    0.00   0.000518406   0.000177518   0.000912735
 H     -2.732682     -2.340523     -0.831676    0.00   0.000058412  -0.000011469   0.000088420
 H     -3.133801     -1.150160     -2.083873    0.00   0.000057221  -0.000002096   0.000112053
 H     -1.491090     -1.815886     -1.963572    0.00   0.000048714   0.000072536   0.000090965
 H      0.642670     -2.841577      1.093951    0.00  -0.000008089  -0.000015287  -0.000031446
 O      0.098354     -0.213387      1.105488    0.00   0.000401384  -0.000212936   0.001147755
 O      1.150787     -2.503238     -1.256639    0.00  -0.000179121  -0.000136631  -0.000433259
 C      1.842667     -3.137159     -0.489652    0.00  -0.000247468   0.000118254  -0.000272598
 H      2.782364     -3.655509     -0.689213    0.00  -0.000029623   0.000035844  -0.000013660
 O      1.521177     -3.300665      0.812974    0.00  -0.000253183  -0.000015674  -0.000415851
26
 Energy =      -0.311237799097
 C      0.025365      2.149251      0.352283    0.00  -0.000141076  -0.000022416   0.000012867
 C     -1.286591      2.153224     -0.434052    0.00  -0.000155358   0.000003253  -0.000831953
 C     -1.456761      0.864850     -1.241918    0.00  -0.000422670  -0.000070831  -0.000300541
 C     -1.960826     -0.328850     -0.419867    0.00   0.000150062  -0.000179318   0.000157883
 C     -0.948636     -0.919370      0.546761    0.00  -0.000056378  -0.000068770   0.000070702
 C     -0.010719      1.175241      1.518529    0.00   0.000617413   0.000281358   0.000630350
 H     -2.172980      1.048470     -2.070088    0.00  -0.000062418  -0.000005959  -0.000044297
 H     -2.147917      2.309347      0.243546    0.00   0.000032724   0.000014631  -0.000136583
 H     -1.296927      3.020902     -1.125064    0.00  -0.000088260  -0.000013011  -0.000101046
 H      0.871362      1.892129     -0.320819    0.00  -0.000047903  -0.000023142   0.000058180
 H      0.245523      3.167246      0.732284    0.00  -0.000014783   0.000003273  -0.000018763
 H     -2.850048     -0.015421      0.187475    0.00   0.000029168  -0.000068482  -0.000019377
 H     -0.914336      1.283581      2.142152    0.00   0.000071572   0.000075761  -0.000013340
 H      0.896972      1.254042      2.153910    0.00   0.000097318   0.000045113   0.000115583
 H     -0.500638      0.594599     -1.739136    0.00  -0.000062093  -0.000006905   0.000011911
 O     -0.948367     -2.089575      0.889211    0.00  -0.000340247   0.000045110  -0.000779652
 C     -2.369412     -1.462102     -1.372274    0.00   0.000531754   0.000177223   0.000925939
 H     -2.744297     -2.335538     -0.819229    0.00   0.000060006  -0.000011526   0.000089612
 H     -3.149028     -1.145748     -2.070865    0.00   0.000058665  -0.000002831   0.000112927
 H     -1.508466     -1.818397     -1.960592    0.00   0.000049904   0.000073001   0.000092915
 H      0.647545     -2.840567      1.091431    0.00  -0.000008031  -0.000014980  -0.000031539
 O      0.092011     -0.211290      1.115940    0.00   0.000400725  -0.000198040   0.001148041
 O      1.155004     -2.503136     -1.259346    0.00  -0.000171700  -0.000165589  -0.000446742
 C      1.845162     -3.139980     -0.493242    0.00  -0.000244415   0.000108103  -0.000275950
 H      2.782525     -3.662100     -0.693942    0.00  -0.000029437   0.000035017  -0.000013639
 O      1.524706     -3.301971      0.809816    0.00  -0.000254544  -0.000010043  -0.000413488
26
 Energy =      -0.311415153542
 C      0.026508      2.147806      0.352648    0.00  -0.000151886  -0.000019842   0.000011618
 C     -1.279684      2.153558     -0.443202    0.00  -0.000169104   0.000000538  -0.000835825
 C     -1.451179      0.861144     -1.244327    0.00  -0.000426532  -0.000066717  -0.000296474
 C     -1.961121     -0.326403     -0.416710    0.00   0.000154107  -0.000177029   0.000162037
 C     -0.948322     -0.919371      0.547841    0.00  -0.000053286  -0.000064092   0.000073679
 C     -0.021790      1.178818      1.522654    0.00   0.000611685   0.000289081   0.000622472
 H     -2.164467      1.042331     -2.075561    0.00  -0.000062427  -0.000005604  -0.000043562
 H     -2.145016      2.318393      0.227219    0.00   0.000031261   0.000013950  -0.000137684
 H     -1.280534      3.016948     -1.139664    0.00  -0.000090142  -0.000013626  -0.000100762
 H      0.876382      1.884482     -0.313162    0.00  -0.000048517  -0.000022632   0.000058403
 H      0.247876      3.166574      0.729842    0.00  -0.000016032   0.000003211  -0.000018882
 H     -2.845758     -0.004775      0.192940    0.00   0.000029280  -0.000068602  -0.000019767
 H     -0.931935      1.289448      2.136245    0.00   0.000070770   0.000075704  -0.000014072
 H      0.879134      1.260339      2.167217    0.00   0.000096831   0.000045989   0.000114228
 H     -0.494509      0.585311     -1.737384    0.00  -0.000062435  -0.000005967   0.000012388
 O     -0.942980     -2.091682      0.882914    0.00  -0.000331532   0.000045146  -0.000777416
 C     -2.381260     -1.459617     -1.363957    0.00   0.000544523   0.000176340   0.000938163
 H     -2.756085     -2.330395     -0.806695    0.00   0.000061599  -0.000011586   0.000090737
 H     -3.164295     -1.141130     -2.057753    0.00   0.000060043  -0.000003575   0.000113586
 H     -1.526049     -1.820867     -1.957460    0.00   0.000050978   0.000073310   0.000094806
 H      0.652373     -2.839568      1.088870    0.00  -0.000007951  -0.000014664  -0.000031636
 O      0.085586     -0.209275      1.126268    0.00   0.000400036  -0.000183239   0.001148138
 O      1.159439     -2.502815     -1.262003    0.00  -0.000165136  -0.000193542  -0.000460108
 C      1.847750     -3.142689     -0.496775    0.00  -0.000241467   0.000098023  -0.000279268
 H      2.782763     -3.668587     -0.698562    0.00  -0.000029249   0.000034155  -0.000013623
 O      1.528174     -3.303310      0.806660    0.00  -0.000255417  -0.000004731  -0.000411173
26
 Energy =      -0.311593176374
 C      0.027702      2.146225      0.352990    0.00  -0.000162615  -0.000017200   0.000010310
 C     -1.272664      2.153753     -0.452320    0.00  -0.000182737  -0.000002139  -0.000838890
 C     -1.445665      0.857373     -1.246709    0.00  -0.000429864  -0.000062397  -0.000292041
 C     -1.961488     -0.323943     -0.413542    0.00   0.000158096  -0.000174628   0.000166035
 C     -0.948091     -0.919372      0.548920    0.00  -0.000049988  -0.000059422   0.000076827
 C     -0.032796      1.182290      1.526629    0.00   0.000605687   0.000296252   0.000614142
 H     -2.156070      1.036161     -2.080927    0.00  -0.000062355  -0.000005224  -0.000042767
 H     -2.141880      2.327323      0.210862    0.00   0.000029761   0.000013240  -0.000138666
 H     -1.263969      3.012781     -1.154125    0.00  -0.000091959  -0.000014214  -0.000100366
 H      0.881354      1.876716     -0.305500    0.00  -0.000049105  -0.000022074   0.000058594
 H      0.250338      3.165738      0.727406    0.00  -0.000017281   0.000003156  -0.000019018
 H     -2.841459      0.005902      0.198373    0.00   0.000029372  -0.000068620  -0.000020138
 H     -0.949306      1.295211      2.130186    0.00   0.000069948   0.000075543  -0.000014789
 H      0.861321      1.266537      2.180215    0.00   0.000096284   0.000046788   0.000112774
 H     -0.488528      0.575931     -1.735651    0.00  -0.000062704  -0.000004994   0.000012856
 O     -0.937666     -2.093703      0.876648    0.00  -0.000322321   0.000045318  -0.000774521
 C     -2.393219     -1.457024     -1.355548    0.00   0.000556607   0.000174881   0.000949308
 H     -2.768045     -2.325094     -0.794080    0.00   0.000063185  -0.000011650   0.000091785
 H     -3.179580     -1.136307     -2.044554    0.00   0.000061344  -0.000004321   0.000114017
 H     -1.543820     -1.823296     -1.954165    0.00   0.000051929   0.000073459   0.000096628
 H      0.657155     -2.838581      1.086267    0.00  -0.000007849  -0.000014335  -0.000031735
 O      0.079079     -0.207339      1.136476    0.00   0.000399293  -0.000168538   0.001147969
 O      1.164087     -2.502288     -1.264613    0.00  -0.000159304  -0.000220493  -0.000473286
 C      1.850429     -3.145290     -0.500252    0.00  -0.000238569   0.000088022  -0.000282536
 H      2.783079     -3.674968     -0.703073    0.00  -0.000029055   0.000033261  -0.000013610
 O      1.531585     -3.304679      0.803506    0.00  -0.000255799   0.000000327  -0.000408882
26
 Energy =      -0.311771765449
 C      0.028947      2.144512      0.353310    0.00  -0.000173256  -0.000014491   0.000008934
 C     -1.265534      2.153812     -0.461402    0.00  -0.000196235  -0.000004765  -0.000841093
 C     -1.440222      0.853540     -1.249063    0.00  -0.000432662  -0.000057876  -0.000287247
 C     -1.961928     -0.321469     -0.410362    0.00   0.000161992  -0.000172080   0.000169839
 C     -0.947945     -0.919375      0.549999    0.00  -0.000046499  -0.000054762   0.000080161
 C     -0.043731      1.185662      1.530456    0.00   0.000599366   0.000302822   0.000605344
 H     -2.147794      1.029964     -2.086185    0.00  -0.000062200  -0.000004823  -0.000041912
 H     -2.138509      2.336136      0.194486    0.00   0.000028218   0.000012505  -0.000139522
 H     -1.247242      3.008403     -1.168440    0.00  -0.000093705  -0.000014770  -0.000099853
 H      0.886274      1.868826     -0.297838    0.00  -0.000049661  -0.000021472   0.000058752
 H      0.252907      3.164735      0.724970    0.00  -0.000018531   0.000003107  -0.000019164
 H     -2.837157      0.016608      0.203764    0.00   0.000029439  -0.000068538  -0.000020490
 H     -0.966446      1.300877      2.123982    0.00   0.000069113   0.000075264  -0.000015492
 H      0.843542      1.272641      2.192906    0.00   0.000095670   0.000047506   0.000111218
 H     -0.482700      0.566459     -1.733937    0.00  -0.000062899  -0.000003986   0.000013317
 O     -0.932431     -2.095637      0.870415    0.00  -0.000312591   0.000045585  -0.000770851
 C     -2.405275     -1.454323     -1.347049    0.00   0.000567910   0.000172862   0.000959279
 H     -2.780173     -2.319630     -0.781388    0.00   0.000064755  -0.000011717   0.000092745
 H     -3.194859     -1.131280     -2.031287    0.00   0.000062557  -0.000005065   0.000114215
 H     -1.561758     -1.825691     -1.950696    0.00   0.000052748   0.000073443   0.000098374
 H      0.661889     -2.837602      1.083619    0.00  -0.000007735  -0.000013992  -0.000031831
 O      0.072491     -0.205481      1.146571    0.00   0.000398486  -0.000153952   0.001147420
 O      1.168946     -2.501568     -1.267184    0.00  -0.000154087  -0.000246450  -0.000486213
 C      1.853201     -3.147784     -0.503678    0.00  -0.000235675   0.000078139  -0.000285730
 H      2.783476     -3.681245     -0.707479    0.00  -0.000028851   0.000032345  -0.000013599
 O      1.534940     -3.306071      0.800353    0.00  -0.000255665   0.000005160  -0.000406598
26
 Energy =      -0.311950800647
 C      0.030242      2.142665      0.353607    0.00  -0.000183777  -0.000011728   0.000007488
 C     -1.258298      2.153732     -0.470444    0.00  -0.000209582  -0.000007324  -0.000842382
 C     -1.434854      0.849647     -1.251389    0.00  -0.000434923  -0.000053169  -0.000282089
 C     -1.962441     -0.318982     -0.407174    0.00   0.000165766  -0.000169372   0.000173429
 C     -0.947885     -0.919373      0.551080    0.00  -0.000042812  -0.000050122   0.000083662
 C     -0.054593      1.188940      1.534138    0.00   0.000592692   0.000308742   0.000596029
 H     -2.139650      1.023743     -2.091333    0.00  -0.000061966  -0.000004405  -0.000041004
 H     -2.134903      2.344828      0.178094    0.00   0.000026632   0.000011743  -0.000140247
 H     -1.230358      3.003815     -1.182607    0.00  -0.000095374  -0.000015291  -0.000099213
 H      0.891141      1.860811     -0.290179    0.00  -0.000050183  -0.000020821   0.000058874
 H      0.255587      3.163570      0.722531    0.00  -0.000019777   0.000003065  -0.000019327
 H     -2.832854      0.027334      0.209108    0.00   0.000029480  -0.000068343  -0.000020822
 H     -0.983349      1.306455      2.117646    0.00   0.000068248   0.000074865  -0.000016181
 H      0.825809      1.278654      2.205288    0.00   0.000094984   0.000048142   0.000109550
 H     -0.477033      0.556900     -1.732247    0.00  -0.000063017  -0.000002951   0.000013770
 O     -0.927277     -2.097482      0.864217    0.00  -0.000302340   0.000045912  -0.000766304
 C     -2.417419     -1.451515     -1.338465    0.00   0.000578338   0.000170299   0.000967980
 H     -2.792468     -2.314000     -0.768620    0.00   0.000066300  -0.000011789   0.000093607
 H     -3.210112     -1.126056     -2.017967    0.00   0.000063668  -0.000005801   0.000114170
 H     -1.579848     -1.828056     -1.947042    0.00   0.000053430   0.000073264   0.000100034
 H      0.666577     -2.836629      1.080924    0.00  -0.000007594  -0.000013633  -0.000031923
 O      0.065820     -0.203699      1.156554    0.00   0.000397575  -0.000139491   0.001146436
 O      1.174011     -2.500663     -1.269719    0.00  -0.000149387  -0.000271401  -0.000498825
 C      1.856063     -3.150175     -0.507056    0.00  -0.000232721   0.000068379  -0.000288836
 H      2.783955     -3.687416     -0.711781    0.00  -0.000028626   0.000031402  -0.000013592
 O      1.538240     -3.307483      0.797200    0.00  -0.000255033   0.000009830  -0.000404284
26
 Energy =      -0.312130144806
 C      0.031589      2.140686      0.353879    0.00  -0.000194170  -0.000008920   0.000005965
 C     -1.250960      2.153515     -0.479445    0.00  -0.000222741  -0.000009810  -0.000842704
 C     -1.429565      0.845693     -1.253688    0.00  -0.000436641  -0.000048281  -0.000276581
 C     -1.963025     -0.316482     -0.403978    0.00   0.000169378  -0.000166483   0.000176784
 C     -0.947913     -0.919368      0.552165    0.00  -0.000038944  -0.000045515   0.000087338
 C     -0.065378      1.192126      1.537679    0.00   0.000585622   0.000313964   0.000586177
 H     -2.131641      1.017501     -2.096370    0.00  -0.000061653  -0.000003971  -0.000040041
 H     -2.131063      2.353400      0.161696    0.00   0.000025000   0.000010959  -0.000140830
 H     -1.213329      2.999014     -1.196621    0.00  -0.000096962  -0.000015777  -0.000098442
 H      0.895952      1.852670     -0.282529    0.00  -0.000050661  -0.000020122   0.000058958
 H      0.258378      3.162242      0.720084    0.00  -0.000021022   0.000003030  -0.000019500
 H     -2.828554      0.038076      0.214401    0.00   0.000029489  -0.000068035  -0.000021138
 H     -1.000011      1.311954      2.111185    0.00   0.000067355   0.000074336  -0.000016856
 H      0.808131      1.284581      2.217364    0.00   0.000094218   0.000048687   0.000107766
 H     -0.471526      0.547255     -1.730583    0.00  -0.000063055  -0.000001890   0.000014217
 O     -0.922208     -2.099240      0.858056    0.00  -0.000291549   0.000046271  -0.000760775
 C     -2.429638     -1.448602     -1.329797    0.00   0.000587798   0.000167222   0.000975324
 H     -2.804926     -2.308204     -0.755781    0.00   0.000067814  -0.000011865   0.000094357
 H     -3.225315     -1.120637     -2.004612    0.00   0.000064666  -0.000006522   0.000113877
 H     -1.598066     -1.830396     -1.943192    0.00   0.000053972   0.000072916   0.000101596
 H      0.671216     -2.835660      1.078180    0.00  -0.000007439  -0.000013256  -0.000032005
 O      0.059066     -0.201989      1.166433    0.00   0.000396556  -0.000125167   0.001144921
 O      1.179279     -2.499585     -1.272222    0.00  -0.000145108  -0.000295347  -0.000511053
 C      1.859016     -3.152466     -0.510388    0.00  -0.000229667   0.000058759  -0.000291833
 H      2.784517     -3.693482     -0.715984    0.00  -0.000028382   0.000030437  -0.000013587
 O      1.541486     -3.308909      0.794045    0.00  -0.000253875   0.000014382  -0.000401935
26
 Energy =      -0.312309644787
 C      0.032985      2.138574      0.354127    0.00  -0.000204410  -0.000006077   0.000004366
 C     -1.243521      2.153157     -0.488401    0.00  -0.000235690  -0.000012210  -0.000842012
 C     -1.424357      0.841682     -1.255959    0.00  -0.000437808  -0.000043232  -0.000270731
 C     -1.963681     -0.313969     -0.400775    0.00   0.000172797  -0.000163411   0.000179892
 C     -0.948033     -0.919357      0.553258    0.00  -0.000034890  -0.000040952   0.000091171
 C     -0.076081      1.195224      1.541083    0.00   0.000578142   0.000318442   0.000575733
 H     -2.123772      1.011239     -2.101296    0.00  -0.000061258  -0.000003522  -0.000039025
 H     -2.126990      2.361845      0.145296    0.00   0.000023317   0.000010150  -0.000141266
 H     -1.196160      2.994001     -1.210479    0.00  -0.000098457  -0.000016221  -0.000097528
 H      0.900705      1.844400     -0.274890    0.00  -0.000051092  -0.000019377   0.000059000
 H      0.261282      3.160754      0.717626    0.00  -0.000022258   0.000003003  -0.000019688
 H     -2.824264      0.048828      0.219635    0.00   0.000029468  -0.000067601  -0.000021437
 H     -1.016427      1.317383      2.104608    0.00   0.000066419   0.000073681  -0.000017515
 H      0.790516      1.290422      2.229133    0.00   0.000093367   0.000049139   0.000105857
 H     -0.466186      0.537526     -1.728948    0.00  -0.000063012  -0.000000809   0.000014658
 O     -0.917226     -2.100908      0.851933    0.00  -0.000280233   0.000046640  -0.000754179
 C     -2.441923     -1.445588     -1.321051    0.00   0.000596201   0.000163658   0.000981220
 H     -2.817546     -2.302237     -0.742874    0.00   0.000069285  -0.000011944   0.000094989
 H     -3.240451     -1.115027     -1.991241    0.00   0.000065546  -0.000007226   0.000113333
 H     -1.616397     -1.832714     -1.939138    0.00   0.000054370   0.000072404   0.000103050
 H      0.675808     -2.834693      1.075384    0.00  -0.000007265  -0.000012855  -0.000032075
 O      0.052228     -0.200350      1.176212    0.00   0.000395391  -0.000110998   0.001142840
 O      1.184747     -2.498341     -1.274699    0.00  -0.000141161  -0.000318265  -0.000522850
 C      1.862059     -3.154659     -0.513676    0.00  -0.000226464   0.000049281  -0.000294703
 H      2.785161     -3.699443     -0.720088    0.00  -0.000028103   0.000029440  -0.000013590
 O      1.544679     -3.310347      0.790886    0.00  -0.000252203   0.000018864  -0.000399512
26
 Energy =      -0.312489132704
 C      0.034433      2.136330      0.354347    0.00  -0.000214487  -0.000003202   0.000002667
 C     -1.235986      2.152660     -0.497311    0.00  -0.000248391  -0.000014509  -0.000840265
 C     -1.419232      0.837613     -1.258203    0.00  -0.000438418  -0.000038038  -0.000264529
 C     -1.964406     -0.311445     -0.397568    0.00   0.000176007  -0.000160104   0.000182698
 C     -0.948245     -0.919338      0.554361    0.00  -0.000030669  -0.000036455   0.000095176
 C     -0.086700      1.198239      1.544353    0.00   0.000570189   0.000322134   0.000564723
 H     -2.116049      1.004962     -2.106112    0.00  -0.000060786  -0.000003065  -0.000037963
 H     -2.122683      2.370165      0.128900    0.00   0.000021590   0.000009322  -0.000141544
 H     -1.178858      2.988775     -1.224180    0.00  -0.000099854  -0.000016622  -0.000096474
 H      0.905399      1.835999     -0.267266    0.00  -0.000051474  -0.000018586   0.000058996
 H      0.264303      3.159105      0.715151    0.00  -0.000023490   0.000002980  -0.000019884
 H     -2.819984      0.059585      0.224804    0.00   0.000029409  -0.000067047  -0.000021713
 H     -1.032594      1.322749      2.097926    0.00   0.000065455   0.000072879  -0.000018160
 H      0.772978      1.296183      2.240599    0.00   0.000092424   0.000049491   0.000103825
 H     -0.461015      0.527715     -1.727344    0.00  -0.000062884   0.000000293   0.000015093
 O     -0.912338     -2.102488      0.845854    0.00  -0.000268394   0.000046996  -0.000746398
 C     -2.454262     -1.442473     -1.312228    0.00   0.000603492   0.000159642   0.000985589
 H     -2.830325     -2.296098     -0.729901    0.00   0.000070704  -0.000012031   0.000095488
 H     -3.255499     -1.109235     -1.977868    0.00   0.000066288  -0.000007901   0.000112537
 H     -1.634820     -1.835020     -1.934870    0.00   0.000054623   0.000071728   0.000104388
 H      0.680350     -2.833727      1.072533    0.00  -0.000007078  -0.000012430  -0.000032127
 O      0.045305     -0.198779      1.185896    0.00   0.000394081  -0.000097002   0.001140060
 O      1.190411     -2.496938     -1.277152    0.00  -0.000137477  -0.000340160  -0.000534149
 C      1.865192     -3.156754     -0.516925    0.00  -0.000223064   0.000039966  -0.000297442
 H      2.785892     -3.705298     -0.724099    0.00  -0.000027796   0.000028422  -0.000013595
 O      1.547819     -3.311793      0.787722    0.00  -0.000250000   0.000023301  -0.000396998
26
 Energy =      -0.312668427255
 C      0.035932      2.133953      0.354539    0.00  -0.000224374  -0.000000316   0.000000868
 C     -1.228357      2.152023     -0.506172    0.00  -0.000260810  -0.000016704  -0.000837418
 C     -1.414195      0.833487     -1.260420    0.00  -0.000438460  -0.000032708  -0.000258005
 C     -1.965204     -0.308909     -0.394358    0.00   0.000178962  -0.000156577   0.000185216
 C     -0.948553     -0.919308      0.555477    0.00  -0.000026291  -0.000031991   0.000099338
 C     -0.097230      1.201176      1.547490    0.00   0.000561761   0.000324998   0.000553098
 H     -2.108474      0.998670     -2.110817    0.00  -0.000060233  -0.000002600  -0.000036853
 H     -2.118143      2.378356      0.112515    0.00   0.000019814   0.000008472  -0.000141660
 H     -1.161431      2.983336     -1.237720    0.00  -0.000101147  -0.000016975  -0.000095269
 H      0.910032      1.827461     -0.259662    0.00  -0.000051799  -0.000017749   0.000058944
 H      0.267442      3.157296      0.712656    0.00  -0.000024712   0.000002965  -0.000020092
 H     -2.815722      0.070342      0.229903    0.00   0.000029314  -0.000066368  -0.000021973
 H     -1.048505      1.328063      2.091148    0.00   0.000064446   0.000071939  -0.000018787
 H      0.755526      1.301865      2.251760    0.00   0.000091386   0.000049740   0.000101664
 H     -0.456017      0.517822     -1.725773    0.00  -0.000062671   0.000001406   0.000015521
 O     -0.907546     -2.103977      0.839820    0.00  -0.000256026   0.000047314  -0.000737367
 C     -2.466646     -1.439262     -1.303335    0.00   0.000609584   0.000155210   0.000988360
 H     -2.843260     -2.289784     -0.716867    0.00   0.000072064  -0.000012115   0.000095844
 H     -3.270444     -1.103264     -1.964512    0.00   0.000066892  -0.000008548   0.000111490
 H     -1.653319     -1.837316     -1.930381    0.00   0.000054732   0.000070892   0.000105600
 H      0.684841     -2.832763      1.069626    0.00  -0.000006871  -0.000011974  -0.000032160
 O      0.038297     -0.197274      1.195491    0.00   0.000392582  -0.000083216   0.001136544
 O      1.196269     -2.495382     -1.279587    0.00  -0.000133976  -0.000361009  -0.000544906
 C      1.868414     -3.158753     -0.520138    0.00  -0.000219436   0.000030805  -0.000300016
 H      2.786707     -3.711046     -0.728018    0.00  -0.000027450   0.000027377  -0.000013608
 O      1.550907     -3.313246      0.784549    0.00  -0.000247278   0.000027732  -0.000394373
26
 Energy =      -0.312847335193
 C      0.037483      2.131445      0.354701    0.00  -0.000234053   0.000002569  -0.000001043
 C     -1.220634      2.151243     -0.514984    0.00  -0.000272900  -0.000018781  -0.000833439
 C     -1.409245      0.829304     -1.262610    0.00  -0.000437936  -0.000027268  -0.000251159
 C     -1.966071     -0.306363     -0.391146    0.00   0.000181645  -0.000152805   0.000187418
 C     -0.948958     -0.919267      0.556610    0.00  -0.000021773  -0.000027592   0.000103644
 C     -0.107667      1.204038      1.550501    0.00   0.000552823   0.000327006   0.000540854
 H     -2.101052      0.992366     -2.115413    0.00  -0.000059600  -0.000002128  -0.000035701
 H     -2.113370      2.386415      0.096144    0.00   0.000017992   0.000007604  -0.000141606
 H     -1.143885      2.977681     -1.251098    0.00  -0.000102326  -0.000017278  -0.000093914
 H      0.914604      1.818787     -0.252080    0.00  -0.000052067  -0.000016865   0.000058841
 H      0.270704      3.155327      0.710135    0.00  -0.000025924   0.000002956  -0.000020309
 H     -2.811483      0.081093      0.234924    0.00   0.000029180  -0.000065564  -0.000022214
 H     -1.064157      1.333333      2.084283    0.00   0.000063395   0.000070853  -0.000019398
 H      0.738170      1.307473      2.262619    0.00   0.000090245   0.000049882   0.000099375
 H     -0.451191      0.507848     -1.724237    0.00  -0.000062368   0.000002530   0.000015943
 O     -0.902854     -2.105375      0.833837    0.00  -0.000243157   0.000047582  -0.000726989
 C     -2.479065     -1.435957     -1.294373    0.00   0.000614431   0.000150410   0.000989471
 H     -2.856350     -2.283295     -0.703772    0.00   0.000073352  -0.000012202   0.000096043
 H     -3.285268     -1.097123     -1.951188    0.00   0.000067347  -0.000009161   0.000110197
 H     -1.671878     -1.839609     -1.925662    0.00   0.000054698   0.000069901   0.000106675
 H      0.689280     -2.831799      1.066657    0.00  -0.000006653  -0.000011488  -0.000032170
 O      0.031201     -0.195832      1.205001    0.00   0.000390889  -0.000069653   0.001132206
 O      1.202318     -2.493678     -1.282005    0.00  -0.000130603  -0.000380799  -0.000555063
 C      1.871724     -3.160658     -0.523318    0.00  -0.000215547   0.000021796  -0.000302417
 H      2.787610     -3.716684     -0.731849    0.00  -0.000027063   0.000026302  -0.000013627
 O      1.553942     -3.314701      0.781364    0.00  -0.000244028   0.000032191  -0.000391616
26
 Energy =      -0.313025652933
 C      0.039089      2.128801      0.354833    0.00  -0.000243503   0.000005449  -0.000003071
 C     -1.212822      2.150320     -0.523744    0.00  -0.000284629  -0.000020732  -0.000828303
 C     -1.404386      0.825062     -1.264775    0.00  -0.000436826  -0.000021735  -0.000244010
 C     -1.967009     -0.303809     -0.387935    0.00   0.000184032  -0.000148787   0.000189285
 C     -0.949463     -0.919215      0.557762    0.00  -0.000017124  -0.000023261   0.000108086
 C     -0.118007      1.206828      1.553387    0.00   0.000543356   0.000328125   0.000527989
 H     -2.093785      0.986050     -2.119899    0.00  -0.000058888  -0.000001655  -0.000034509
 H     -2.108365      2.394340      0.079794    0.00   0.000016127   0.000006720  -0.000141376
 H     -1.126226      2.971809     -1.264314    0.00  -0.000103382  -0.000017528  -0.000092404
 H      0.919115      1.809970     -0.244527    0.00  -0.000052273  -0.000015937   0.000058681
 H      0.274092      3.153198      0.707584    0.00  -0.000027124   0.000002950  -0.000020535
 H     -2.807269      0.091834      0.239863    0.00   0.000029004  -0.000064632  -0.000022433
 H     -1.079546      1.338568      2.077342    0.00   0.000062297   0.000069623  -0.000019990
 H      0.720922      1.313008      2.273176    0.00   0.000089000   0.000049912   0.000096955
 H     -0.446543      0.497792     -1.722736    0.00  -0.000061977   0.000003657   0.000016358
 O     -0.898267     -2.106681      0.827909    0.00  -0.000229808   0.000047796  -0.000715196
 C     -2.491510     -1.432562     -1.285348    0.00   0.000617987   0.000145289   0.000988870
 H     -2.869591     -2.276628     -0.690620    0.00   0.000074561  -0.000012290   0.000096078
 H     -3.299955     -1.090819     -1.937915    0.00   0.000067645  -0.000009732   0.000108661
 H     -1.690479     -1.841904     -1.920709    0.00   0.000054526   0.000068759   0.000107604
 H      0.693665     -2.830835      1.063623    0.00  -0.000006423  -0.000010971  -0.000032153
 O      0.024017     -0.194452      1.214430    0.00   0.000388972  -0.000056341   0.001126974
 O      1.208555     -2.491831     -1.284411    0.00  -0.000127297  -0.000399531  -0.000564568
 C      1.875123     -3.162464     -0.526468    0.00  -0.000211367   0.000012950  -0.000304627
 H      2.788602     -3.722208     -0.735596    0.00  -0.000026633   0.000025196  -0.000013656
 O      1.556924     -3.316156      0.778165    0.00  -0.000240254   0.000036704  -0.000388709
26
 Energy =       -0.31320316825
 C      0.040750      2.126025      0.354932    0.00  -0.000252704   0.000008299  -0.000005223
 C     -1.204921      2.149254     -0.532450    0.00  -0.000295942  -0.000022551  -0.000821992
 C     -1.399618      0.820765     -1.266912    0.00  -0.000435134  -0.000016128  -0.000236565
 C     -1.968017     -0.301246     -0.384724    0.00   0.000186098  -0.000144525   0.000190812
 C     -0.950072     -0.919147      0.558936    0.00  -0.000012350  -0.000019001   0.000112645
 C     -0.128244      1.209551      1.556151    0.00   0.000533347   0.000328339   0.000514494
 H     -2.086677      0.979726     -2.124276    0.00  -0.000058096  -0.000001180  -0.000033280
 H     -2.103126      2.402130      0.063471    0.00   0.000014219   0.000005822  -0.000140962
 H     -1.108462      2.965720     -1.277364    0.00  -0.000104309  -0.000017723  -0.000090741
 H      0.923563      1.801007     -0.237004    0.00  -0.000052412  -0.000014967   0.000058465
 H      0.277610      3.150908      0.704996    0.00  -0.000028311   0.000002951  -0.000020769
 H     -2.803087      0.102560      0.244715    0.00   0.000028785  -0.000063573  -0.000022633
 H     -1.094666      1.343778      2.070331    0.00   0.000061152   0.000068250  -0.000020564
 H      0.703794      1.318473      2.283434    0.00   0.000087647   0.000049828   0.000094408
 H     -0.442073      0.487656     -1.721275    0.00  -0.000061496   0.000004787   0.000016765
 O     -0.893789     -2.107896      0.822041    0.00  -0.000216016   0.000047955  -0.000701924
 C     -2.503974     -1.429080     -1.276262    0.00   0.000620211   0.000139897   0.000986511
 H     -2.882980     -2.269782     -0.677413    0.00   0.000075679  -0.000012378   0.000095942
 H     -3.314493     -1.084358     -1.924708    0.00   0.000067785  -0.000010259   0.000106889
 H     -1.709107     -1.844207     -1.915515    0.00   0.000054219   0.000067473   0.000108379
 H      0.697993     -2.829873      1.060523    0.00  -0.000006180  -0.000010416  -0.000032105
 O      0.016744     -0.193132      1.223784    0.00   0.000386808  -0.000043308   0.001120777
 O      1.214979     -2.489842     -1.286808    0.00  -0.000124012  -0.000417194  -0.000573376
 C      1.878610     -3.164175     -0.529592    0.00  -0.000206859   0.000004265  -0.000306635
 H      2.789685     -3.727617     -0.739260    0.00  -0.000026158   0.000024058  -0.000013692
 O      1.559853     -3.317609      0.774949    0.00  -0.000235971   0.000041281  -0.000385626
26
 Energy =      -0.313379662063
 C      0.042469      2.123113      0.354997    0.00  -0.000261633   0.000011112  -0.000007507
 C     -1.196933      2.148040     -0.541102    0.00  -0.000306798  -0.000024232  -0.000814491
 C     -1.394943      0.816409     -1.269024    0.00  -0.000432848  -0.000010475  -0.000228843
 C     -1.969095     -0.298676     -0.381517    0.00   0.000187836  -0.000140000   0.000191981
 C     -0.950785     -0.919064      0.560137    0.00  -0.000007486  -0.000014821   0.000117309
 C     -0.138376      1.212209      1.558797    0.00   0.000522776   0.000327633   0.000500381
 H     -2.079728      0.973395     -2.128546    0.00  -0.000057230  -0.000000709  -0.000032020
 H     -2.097655      2.409779      0.047180    0.00   0.000012275   0.000004912  -0.000140359
 H     -1.090600      2.959410     -1.290249    0.00  -0.000105097  -0.000017858  -0.000088924
 H      0.927949      1.791892     -0.229517    0.00  -0.000052484  -0.000013955   0.000058187
 H      0.281263      3.148456      0.702369    0.00  -0.000029482   0.000002955  -0.000021011
 H     -2.798941      0.113266      0.249473    0.00   0.000028523  -0.000062394  -0.000022808
 H     -1.109513      1.348971      2.063261    0.00   0.000059957   0.000066734  -0.000021118
 H      0.686797      1.323871      2.293394    0.00   0.000086183   0.000049626   0.000091735
 H     -0.437782      0.477436     -1.719852    0.00  -0.000060924   0.000005911   0.000017165
 O     -0.889427     -2.109018      0.816240    0.00  -0.000201820   0.000048051  -0.000687124
 C     -2.516446     -1.425515     -1.267122    0.00   0.000621083   0.000134281   0.000982369
 H     -2.896515     -2.262758     -0.664156    0.00   0.000076699  -0.000012465   0.000095623
 H     -3.328867     -1.077752     -1.911583    0.00   0.000067758  -0.000010735   0.000104891
 H     -1.727748     -1.846523     -1.910076    0.00   0.000053784   0.000066051   0.000108992
 H      0.702262     -2.828912      1.057351    0.00  -0.000005930  -0.000009822  -0.000032025
 O      0.009380     -0.191869      1.233068    0.00   0.000384382  -0.000030583   0.001113546
 O      1.221588     -2.487715     -1.289199    0.00  -0.000120694  -0.000433778  -0.000581439
 C      1.882185     -3.165788     -0.532691    0.00  -0.000202020  -0.000004276  -0.000308416
 H      2.790861     -3.732905     -0.742845    0.00  -0.000025633   0.000022886  -0.000013738
 O      1.562727     -3.319058      0.771711    0.00  -0.000231179   0.000045952  -0.000382354
26
 Energy =      -0.313554910331
 C      0.044249      2.120064      0.355025    0.00  -0.000270271   0.000013870  -0.000009922
 C     -1.188861      2.146679     -0.549696    0.00  -0.000317150  -0.000025763  -0.000805794
 C     -1.390363      0.811995     -1.271109    0.00  -0.000429969  -0.000004799  -0.000220863
 C     -1.970244     -0.296101     -0.378315    0.00   0.000189219  -0.000135236   0.000192797
 C     -0.951608     -0.918964      0.561366    0.00  -0.000002513  -0.000010742   0.000122037
 C     -0.148395      1.214806      1.561327    0.00   0.000511637   0.000326010   0.000485655
 H     -2.072942      0.967057     -2.132710    0.00  -0.000056285  -0.000000242  -0.000030732
 H     -2.091951      2.417286      0.030926    0.00   0.000010300   0.000003992  -0.000139566
 H     -1.072644      2.952879     -1.302967    0.00  -0.000105738  -0.000017934  -0.000086956
 H      0.932272      1.782623     -0.222071    0.00  -0.000052485  -0.000012907   0.000057844
 H      0.285056      3.145841      0.699696    0.00  -0.000030635   0.000002964  -0.000021262
 H     -2.794839      0.123950      0.254132    0.00   0.000028216  -0.000061092  -0.000022961
 H     -1.124081      1.354156      2.056141    0.00   0.000058712   0.000065079  -0.000021652
 H      0.669944      1.329203      2.303057    0.00   0.000084607   0.000049306   0.000088944
 H     -0.433675      0.467134     -1.718469    0.00  -0.000060259   0.000007024   0.000017555
 O     -0.885186     -2.110047      0.810511    0.00  -0.000187288   0.000048101  -0.000670746
 C     -2.528921     -1.421870     -1.257930    0.00   0.000620588   0.000128504   0.000976427
 H     -2.910194     -2.255554     -0.650852    0.00   0.000077612  -0.000012550   0.000095116
 H     -3.343068     -1.071006     -1.898556    0.00   0.000067563  -0.000011158   0.000102679
 H     -1.746386     -1.848856     -1.904389    0.00   0.000053227   0.000064501   0.000109436
 H      0.706467     -2.827957      1.054103    0.00  -0.000005671  -0.000009191  -0.000031907
 O      0.001925     -0.190661      1.242283    0.00   0.000381662  -0.000018187   0.001105208
 O      1.228382     -2.485450     -1.291587    0.00  -0.000117309  -0.000449284  -0.000588705
 C      1.885849     -3.167301     -0.535769    0.00  -0.000196812  -0.000012667  -0.000309961
 H      2.792133     -3.738067     -0.746353    0.00  -0.000025061   0.000021675  -0.000013793
 O      1.565546     -3.320503      0.768450    0.00  -0.000225896   0.000050726  -0.000378877
26
 Energy =      -0.313728685896
 C      0.046090      2.116876      0.355014    0.00  -0.000278591   0.000016560  -0.000012475
 C     -1.180705      2.145168     -0.558234    0.00  -0.000326946  -0.000027144  -0.000795910
 C     -1.385879      0.807524     -1.273170    0.00  -0.000426498   0.000000873  -0.000212640
 C     -1.971464     -0.293523     -0.375119    0.00   0.000190252  -0.000130210   0.000193237
 C     -0.952541     -0.918848      0.562629    0.00   0.000002482  -0.000006743   0.000126834
 C     -0.158297      1.217346      1.563744    0.00   0.000499933   0.000323458   0.000470332
 H     -2.066320      0.960716     -2.136769    0.00  -0.000055268   0.000000217  -0.000029420
 H     -2.086013      2.424648      0.014715    0.00   0.000008298   0.000003067  -0.000138575
 H     -1.054603      2.946126     -1.315519    0.00  -0.000106226  -0.000017949  -0.000084842
 H      0.936533      1.773194     -0.214672    0.00  -0.000052414  -0.000011822   0.000057436
 H      0.288997      3.143061      0.696970    0.00  -0.000031771   0.000002976  -0.000021513
 H     -2.790783      0.134604      0.258688    0.00   0.000027866  -0.000059677  -0.000023087
 H     -1.138366      1.359342      2.048978    0.00   0.000057414   0.000063296  -0.000022167
 H      0.653247      1.334471      2.312424    0.00   0.000082920   0.000048868   0.000086038
 H     -0.429749      0.456747     -1.717128    0.00  -0.000059501   0.000008126   0.000017935
 O     -0.881072     -2.110984      0.804864    0.00  -0.000172439   0.000048106  -0.000652782
 C     -2.541389     -1.418150     -1.248694    0.00   0.000618723   0.000122600   0.000968680
 H     -2.924010     -2.248170     -0.637504    0.00   0.000078409  -0.000012627   0.000094413
 H     -3.357083     -1.064131     -1.885643    0.00   0.000067198  -0.000011527   0.000100264
 H     -1.765008     -1.851211     -1.898449    0.00   0.000052558   0.000062834   0.000109707
 H      0.710604     -2.827006      1.050776    0.00  -0.000005403  -0.000008516  -0.000031754
 O     -0.005624     -0.189505      1.251435    0.00   0.000378626  -0.000006174   0.001095702
 O      1.235359     -2.483050     -1.293974    0.00  -0.000113812  -0.000463704  -0.000595133
 C      1.889603     -3.168712     -0.538829    0.00  -0.000191233  -0.000020924  -0.000311251
 H      2.793506     -3.743098     -0.749786    0.00  -0.000024436   0.000020425  -0.000013860
 O      1.568306     -3.321940      0.765160    0.00  -0.000220140   0.000055612  -0.000375168
26
 Energy =      -0.313900760485
 C      0.047998      2.113548      0.354963    0.00  -0.000286565   0.000019171  -0.000015167
 C     -1.172469      2.143505     -0.566712    0.00  -0.000336140  -0.000028365  -0.000784847
 C     -1.381492      0.802993     -1.275207    0.00  -0.000422433   0.000006514  -0.000204205
 C     -1.972756     -0.290941     -0.371931    0.00   0.000190913  -0.000124956   0.000193310
 C     -0.953588     -0.918711      0.563927    0.00   0.000007511  -0.000002838   0.000131658
 C     -0.168076      1.219830      1.566051    0.00   0.000487660   0.000319993   0.000454439
 H     -2.059863      0.954372     -2.140724    0.00  -0.000054179   0.000000665  -0.000028089
 H     -2.079841      2.431861     -0.001445    0.00   0.000006275   0.000002137  -0.000137387
 H     -1.036482      2.939147     -1.327902    0.00  -0.000106554  -0.000017901  -0.000082585
 H      0.940734      1.763599     -0.207323    0.00  -0.000052269  -0.000010706   0.000056959
 H      0.293091      3.140114      0.694189    0.00  -0.000032888   0.000002989  -0.000021766
 H     -2.786781      0.145227      0.263134    0.00   0.000027468  -0.000058154  -0.000023186
 H     -1.152361      1.364537      2.041780    0.00   0.000056064   0.000061389  -0.000022661
 H      0.636720      1.339676      2.321497    0.00   0.000081120   0.000048312   0.000083026
 H     -0.426010      0.446275     -1.715829    0.00  -0.000058651   0.000009206   0.000018304
 O     -0.877092     -2.111826      0.799302    0.00  -0.000157353   0.000048083  -0.000633217
 C     -2.553846     -1.414359     -1.239417    0.00   0.000615494   0.000116637   0.000959140
 H     -2.937964     -2.240604     -0.624118    0.00   0.000079084  -0.000012700   0.000093513
 H     -3.370904     -1.057135     -1.872858    0.00   0.000066664  -0.000011835   0.000097659
 H     -1.783602     -1.853593     -1.892258    0.00   0.000051782   0.000061059   0.000109798
 H      0.714671     -2.826063      1.047365    0.00  -0.000005131  -0.000007799  -0.000031556
 O     -0.013265     -0.188404      1.260527    0.00   0.000375251   0.000005439   0.001084965
 O      1.242518     -2.480513     -1.296362    0.00  -0.000110167  -0.000477040  -0.000600675
 C      1.893447     -3.170018     -0.541873    0.00  -0.000185261  -0.000029049  -0.000312267
 H      2.794985     -3.747989     -0.753146    0.00  -0.000023761   0.000019133  -0.000013937
 O      1.571007     -3.323368      0.761838    0.00  -0.000213933   0.000060616  -0.000371223
26
 Energy =      -0.314070906576
 C      0.049973      2.110079      0.354867    0.00  -0.000294175   0.000021681  -0.000017995
 C     -1.164152      2.141688     -0.575129    0.00  -0.000344687  -0.000029424  -0.000772632
 C     -1.377205      0.798402     -1.277217    0.00  -0.000417777   0.000012099  -0.000195581
 C     -1.974118     -0.288358     -0.368753    0.00   0.000191194  -0.000119486   0.000193015
 C     -0.954753     -0.918555      0.565265    0.00   0.000012546   0.000000976   0.000136485
 C     -0.177725      1.222262      1.568248    0.00   0.000474823   0.000315642   0.000438000
 H     -2.053574      0.948027     -2.144575    0.00  -0.000053020   0.000001101  -0.000026743
 H     -2.073435      2.438923     -0.017549    0.00   0.000004241   0.000001207  -0.000136001
 H     -1.018289      2.931943     -1.340117    0.00  -0.000106716  -0.000017788  -0.000080193
 H      0.944872      1.753833     -0.200030    0.00  -0.000052049  -0.000009560   0.000056412
 H      0.297346      3.136995      0.691344    0.00  -0.000033979   0.000003005  -0.000022016
 H     -2.782837      0.155812      0.267468    0.00   0.000027026  -0.000056528  -0.000023258
 H     -1.166061      1.369749      2.034556    0.00   0.000054659   0.000059364  -0.000023133
 H      0.620376      1.344819      2.330276    0.00   0.000079212   0.000047641   0.000079916
 H     -0.422458      0.435718     -1.714572    0.00  -0.000057711   0.000010261   0.000018661
 O     -0.873253     -2.112576      0.793839    0.00  -0.000142099   0.000048048  -0.000612062
 C     -2.566285     -1.410501     -1.230105    0.00   0.000610914   0.000110661   0.000947829
 H     -2.952048     -2.232859     -0.610697    0.00   0.000079630  -0.000012764   0.000092412
 H     -3.384520     -1.050030     -1.860214    0.00   0.000065963  -0.000012082   0.000094881
 H     -1.802154     -1.856007     -1.885812    0.00   0.000050912   0.000059185   0.000109706
 H      0.718660     -2.825133      1.043865    0.00  -0.000004859  -0.000007042  -0.000031316
 O     -0.021000     -0.187351      1.269560    0.00   0.000371509   0.000016608   0.001072937
 O      1.249860     -2.477839     -1.298753    0.00  -0.000106341  -0.000489294  -0.000605275
 C      1.897382     -3.171216     -0.544904    0.00  -0.000178893  -0.000037050  -0.000312996
 H      2.796572     -3.752733     -0.756435    0.00  -0.000023036   0.000017798  -0.000014025
 O      1.573646     -3.324787      0.758481    0.00  -0.000207287   0.000065740  -0.000367028
26
 Energy =      -0.314238899373
 C      0.052021      2.106464      0.354726    0.00  -0.000301395   0.000024079  -0.000020949
 C     -1.155756      2.139717     -0.583484    0.00  -0.000352537  -0.000030314  -0.000759296
 C     -1.373017      0.793752     -1.279203    0.00  -0.000412545   0.000017594  -0.000186790
 C     -1.975553     -0.285776     -0.365586    0.00   0.000191098  -0.000113807   0.000192345
 C     -0.956039     -0.918380      0.566647    0.00   0.000017538   0.000004671   0.000141270
 C     -0.187238      1.224644      1.570339    0.00   0.000461428   0.000310426   0.000421054
 H     -2.047454      0.941684     -2.148325    0.00  -0.000051796   0.000001522  -0.000025388
 H     -2.066795      2.445829     -0.033591    0.00   0.000002201   0.000000282  -0.000134416
 H     -1.000031      2.924511     -1.352162    0.00  -0.000106706  -0.000017611  -0.000077674
 H      0.948951      1.743889     -0.192800    0.00  -0.000051748  -0.000008393   0.000055793
 H      0.301768      3.133705      0.688429    0.00  -0.000035048   0.000003025  -0.000022259
 H     -2.778956      0.166359      0.271684    0.00   0.000026539  -0.000054809  -0.000023301
 H     -1.179462      1.374986      2.027311    0.00   0.000053204   0.000057236  -0.000023585
 H      0.604228      1.349901      2.338764    0.00   0.000077197   0.000046856   0.000076719
 H     -0.419095      0.425073     -1.713358    0.00  -0.000056681   0.000011289   0.000019004
 O     -0.869563     -2.113234      0.788479    0.00  -0.000126752   0.000048027  -0.000589336
 C     -2.578698     -1.406580     -1.220764    0.00   0.000605024   0.000104719   0.000934787
 H     -2.966261     -2.224935     -0.597246    0.00   0.000080043  -0.000012818   0.000091107
 H     -3.397925     -1.042823     -1.847729    0.00   0.000065095  -0.000012269   0.000091945
 H     -1.820653     -1.858454     -1.879113    0.00   0.000049952   0.000057226   0.000109428
 H      0.722567     -2.824217      1.040272    0.00  -0.000004590  -0.000006242  -0.000031034
 O     -0.028829     -0.186348      1.278539    0.00   0.000367389   0.000027314   0.001059569
 O      1.257383     -2.475026     -1.301148    0.00  -0.000102269  -0.000500452  -0.000608902
 C      1.901411     -3.172300     -0.547922    0.00  -0.000172149  -0.000044959  -0.000313380
 H      2.798275     -3.757320     -0.759652    0.00  -0.000022258   0.000016420  -0.000014126
 O      1.576220     -3.326196      0.755084    0.00  -0.000200235   0.000070989  -0.000362585
26
 Energy =      -0.314404518621
 C      0.054146      2.102702      0.354536    0.00  -0.000308190   0.000026360  -0.000024018
 C     -1.147285      2.137588     -0.591775    0.00  -0.000359653  -0.000031033  -0.000744878
 C     -1.368931      0.789041     -1.281164    0.00  -0.000406744   0.000022973  -0.000177868
 C     -1.977061     -0.283197     -0.362432    0.00   0.000190616  -0.000107956   0.000191313
 C     -0.957449     -0.918183      0.568075    0.00   0.000022483   0.000008272   0.000145994
 C     -0.196609      1.226978      1.572326    0.00   0.000447502   0.000304386   0.000403629
 H     -2.041504      0.935344     -2.151974    0.00  -0.000050512   0.000001925  -0.000024028
 H     -2.059920      2.452577     -0.049563    0.00   0.000000164  -0.000000637  -0.000132635
 H     -0.981714      2.916850     -1.364037    0.00  -0.000106521  -0.000017369  -0.000075037
 H      0.952971      1.733764     -0.185638    0.00  -0.000051371  -0.000007206   0.000055104
 H      0.306367      3.130239      0.685442    0.00  -0.000036087   0.000003045  -0.000022500
 H     -2.775145      0.176861      0.275779    0.00   0.000026006  -0.000053005  -0.000023313
 H     -1.192555      1.380254      2.020053    0.00   0.000051690   0.000055011  -0.000024015
 H      0.588290      1.354922      2.346959    0.00   0.000075079   0.000045962   0.000073444
 H     -0.415921      0.414341     -1.712189    0.00  -0.000055562   0.000012278   0.000019332
 O     -0.866032     -2.113799      0.783232    0.00  -0.000111405   0.000048037  -0.000565097
 C     -2.591081     -1.402600     -1.211398    0.00   0.000597846   0.000098857   0.000920059
 H     -2.980598     -2.216831     -0.583773    0.00   0.000080317  -0.000012859   0.000089600
 H     -3.411112     -1.035525     -1.835414    0.00   0.000064067  -0.000012392   0.000088869
 H     -1.839089     -1.860939     -1.872160    0.00   0.000048919   0.000055191   0.000108968
 H      0.726385     -2.823321      1.036581    0.00  -0.000004314  -0.000005400  -0.000030699
 O     -0.036750     -0.185392      1.287462    0.00   0.000362853   0.000037506   0.001044820
 O      1.265088     -2.472073     -1.303550    0.00  -0.000097968  -0.000510548  -0.000611481
 C      1.905533     -3.173266     -0.550930    0.00  -0.000164966  -0.000052728  -0.000313472
 H      2.800099     -3.761739     -0.762798    0.00  -0.000021430   0.000014994  -0.000014237
 O      1.578729     -3.327592      0.751643    0.00  -0.000192821   0.000076337  -0.000357855
26
 Energy =      -0.314567550416
 C      0.056351      2.098790      0.354294    0.00  -0.000314538   0.000028501  -0.000027202
 C     -1.138737      2.135299     -0.600001    0.00  -0.000365995  -0.000031578  -0.000729424
 C     -1.364948      0.784269     -1.283101    0.00  -0.000400392   0.000028204  -0.000168848
 C     -1.978643     -0.280621     -0.359293    0.00   0.000189738  -0.000101957   0.000189922
 C     -0.958985     -0.917966      0.569552    0.00   0.000027343   0.000011770   0.000150607
 C     -0.205830      1.229266      1.574209    0.00   0.000433056   0.000297563   0.000385784
 H     -2.035725      0.929007     -2.155522    0.00  -0.000049168   0.000002308  -0.000022670
 H     -2.052810      2.459163     -0.065458    0.00  -0.000001860  -0.000001541  -0.000130664
 H     -0.963348      2.908958     -1.375743    0.00  -0.000106156  -0.000017064  -0.000072291
 H      0.956933      1.723451     -0.178551    0.00  -0.000050914  -0.000006006   0.000054345
 H      0.311149      3.126591      0.682375    0.00  -0.000037093   0.000003071  -0.000022727
 H     -2.771408      0.187315      0.279749    0.00   0.000025429  -0.000051125  -0.000023295
 H     -1.205335      1.385560      2.012787    0.00   0.000050123   0.000052704  -0.000024425
 H      0.572579      1.359881      2.354864    0.00   0.000072862   0.000044964   0.000070106
 H     -0.412941      0.403520     -1.711064    0.00  -0.000054360   0.000013228   0.000019645
 O     -0.862666     -2.114274      0.778110    0.00  -0.000096138   0.000048106  -0.000539403
 C     -2.603429     -1.398565     -1.202015    0.00   0.000589437   0.000093121   0.000903710
 H     -2.995054     -2.208548     -0.570282    0.00   0.000080447  -0.000012886   0.000087894
 H     -3.424075     -1.028147     -1.823284    0.00   0.000062884  -0.000012453   0.000085671
 H     -1.857450     -1.863465     -1.864956    0.00   0.000047820   0.000053092   0.000108320
 H      0.730107     -2.822448      1.032787    0.00  -0.000004046  -0.000004516  -0.000030317
 O     -0.044762     -0.184483      1.296332    0.00   0.000357883   0.000047153   0.001028653
 O      1.272976     -2.468974     -1.305958    0.00  -0.000093379  -0.000519572  -0.000612967
 C      1.909752     -3.174110     -0.553930    0.00  -0.000157369  -0.000060392  -0.000313220
 H      2.802052     -3.765979     -0.765875    0.00  -0.000020554   0.000013525  -0.000014358
 O      1.581168     -3.328976      0.748155    0.00  -0.000185060   0.000081782  -0.000352847
26
 Energy =      -0.314727788894
 C      0.058640      2.094726      0.353999    0.00  -0.000320409   0.000030500  -0.000030476
 C     -1.130117      2.132849     -0.608160    0.00  -0.000371524  -0.000031944  -0.000712996
 C     -1.361069      0.779436     -1.285013    0.00  -0.000393510   0.000033260  -0.000159763
 C     -1.980298     -0.278051     -0.356169    0.00   0.000188477  -0.000095836   0.000188176
 C     -0.960652     -0.917729      0.571083    0.00   0.000032079   0.000015144   0.000155072
 C     -0.214892      1.231508      1.575989    0.00   0.000418111   0.000290007   0.000367558
 H     -2.030119      0.922679     -2.158971    0.00  -0.000047775   0.000002670  -0.000021317
 H     -2.045466      2.465582     -0.081268    0.00  -0.000003865  -0.000002431  -0.000128504
 H     -0.944939      2.900837     -1.387279    0.00  -0.000105610  -0.000016695  -0.000069450
 H      0.960837      1.712943     -0.171547    0.00  -0.000050378  -0.000004799   0.000053516
 H      0.316125      3.122761      0.679222    0.00  -0.000038065   0.000003099  -0.000022939
 H     -2.767750      0.197717      0.283590    0.00   0.000024810  -0.000049181  -0.000023247
 H     -1.217795      1.390909      2.005521    0.00   0.000048501   0.000050325  -0.000024812
 H      0.557107      1.364778      2.362479    0.00   0.000070554   0.000043865   0.000066713
 H     -0.410154      0.392608     -1.709982    0.00  -0.000053076   0.000014132   0.000019941
 O     -0.859477     -2.114661      0.773122    0.00  -0.000081048   0.000048268  -0.000512343
 C     -2.615735     -1.394481     -1.192621    0.00   0.000579847   0.000087548   0.000885815
 H     -3.009625     -2.200091     -0.556781    0.00   0.000080432  -0.000012897   0.000085992
 H     -3.436807     -1.020699     -1.811351    0.00   0.000061552  -0.000012454   0.000082370
 H     -1.875726     -1.866034     -1.857504    0.00   0.000046666   0.000050941   0.000107489
 H      0.733726     -2.821605      1.028887    0.00  -0.000003781  -0.000003594  -0.000029884
 O     -0.052865     -0.183619      1.305149    0.00   0.000352467   0.000056232   0.001011046
 O      1.281046     -2.465727     -1.308372    0.00  -0.000088462  -0.000527529  -0.000613308
 C      1.914070     -3.174822     -0.556920    0.00  -0.000149360  -0.000067947  -0.000312600
 H      2.804141     -3.770026     -0.768880    0.00  -0.000019630   0.000012010  -0.000014491
 O      1.583533     -3.330347      0.744615    0.00  -0.000177004   0.000087307  -0.000347556
26
 Energy =      -0.314885037834
 C      0.061018      2.090507      0.353644    0.00  -0.000325776   0.000032343  -0.000033831
 C     -1.121426      2.130237     -0.616250    0.00  -0.000376212  -0.000032131  -0.000695655
 C     -1.357295      0.774541     -1.286899    0.00  -0.000386127   0.000038108  -0.000150649
 C     -1.982028     -0.275489     -0.353063    0.00   0.000186834  -0.000089616   0.000186086
 C     -0.962452     -0.917472      0.572669    0.00   0.000036663   0.000018399   0.000159352
 C     -0.223789      1.233705      1.577666    0.00   0.000402698   0.000281778   0.000349009
 H     -2.024686      0.916358     -2.162323    0.00  -0.000046334   0.000003006  -0.000019978
 H     -2.037888      2.471834     -0.096986    0.00  -0.000005839  -0.000003297  -0.000126164
 H     -0.926497      2.892482     -1.398644    0.00  -0.000104882  -0.000016264  -0.000066526
 H      0.964686      1.702235     -0.164633    0.00  -0.000049760  -0.000003592   0.000052616
 H      0.321301      3.118742      0.675979    0.00  -0.000038997   0.000003131  -0.000023131
 H     -2.764176      0.208064      0.287299    0.00   0.000024148  -0.000047181  -0.000023166
 H     -1.229928      1.396307      1.998258    0.00   0.000046827   0.000047888  -0.000025177
 H      0.541890      1.369612      2.369806    0.00   0.000068158   0.000042674   0.000063283
 H     -0.407563      0.381608     -1.708945    0.00  -0.000051713   0.000014984   0.000020217
 O     -0.856474     -2.114960      0.768279    0.00  -0.000066233   0.000048544  -0.000484031
 C     -2.627995     -1.390351     -1.183223    0.00   0.000569143   0.000082169   0.000866460
 H     -3.024306     -2.191458     -0.543276    0.00   0.000080268  -0.000012891   0.000083898
 H     -3.449304     -1.013189     -1.799630    0.00   0.000060076  -0.000012394   0.000078988
 H     -1.893909     -1.868650     -1.849805    0.00   0.000045468   0.000048751   0.000106478
 H      0.737232     -2.820798      1.024872    0.00  -0.000003525  -0.000002637  -0.000029399
 O     -0.061056     -0.182801      1.313912    0.00   0.000346579   0.000064703   0.000991979
 O      1.289296     -2.462328     -1.310791    0.00  -0.000083176  -0.000534429  -0.000612451
 C      1.918487     -3.175396     -0.559904    0.00  -0.000140943  -0.000075394  -0.000311587
 H      2.806375     -3.773866     -0.771815    0.00  -0.000018659   0.000010452  -0.000014633
 O      1.585821     -3.331706      0.741019    0.00  -0.000168685   0.000092897  -0.000341987
26
 Energy =      -0.315039112068
 C      0.063489      2.086130      0.353230    0.00  -0.000330611   0.000034025  -0.000037245
 C     -1.112665      2.127459     -0.624269    0.00  -0.000380036  -0.000032136  -0.000677476
 C     -1.353628      0.769584     -1.288761    0.00  -0.000378265   0.000042723  -0.000141548
 C     -1.983833     -0.272937     -0.349976    0.00   0.000184805  -0.000083347   0.000183657
 C     -0.964389     -0.917196      0.574315    0.00   0.000041060   0.000021532   0.000163395
 C     -0.232510      1.235857      1.579243    0.00   0.000386849   0.000272930   0.000330195
 H     -2.019427      0.910049     -2.165577    0.00  -0.000044855   0.000003318  -0.000018655
 H     -2.030076      2.477911     -0.112604    0.00  -0.000007775  -0.000004138  -0.000123650
 H     -0.908030      2.883896     -1.409839    0.00  -0.000103971  -0.000015773  -0.000063531
 H      0.968481      1.691323     -0.157815    0.00  -0.000049063  -0.000002390   0.000051649
 H      0.326689      3.114530      0.672641    0.00  -0.000039887   0.000003168  -0.000023299
 H     -2.760691      0.218351      0.290875    0.00   0.000023443  -0.000045139  -0.000023055
 H     -1.241727      1.401757      1.991005    0.00   0.000045101   0.000045403  -0.000025519
 H      0.526944      1.374381      2.376843    0.00   0.000065682   0.000041397   0.000059826
 H     -0.405168      0.370515     -1.707952    0.00  -0.000050278   0.000015779   0.000020473
 O     -0.853668     -2.115175      0.763591    0.00  -0.000051787   0.000048961  -0.000454587
 C     -2.640204     -1.386179     -1.173826    0.00   0.000557393   0.000077025   0.000845745
 H     -3.039091     -2.182652     -0.529778    0.00   0.000079956  -0.000012866   0.000081620
 H     -3.461562     -1.005630     -1.788130    0.00   0.000058470  -0.000012279   0.000075543
 H     -1.911988     -1.871313     -1.841866    0.00   0.000044237   0.000046533   0.000105289
 H      0.740619     -2.820034      1.020743    0.00  -0.000003281  -0.000001645  -0.000028865
 O     -0.069330     -0.182027      1.322621    0.00   0.000340205   0.000072549   0.000971458
 O      1.297727     -2.458769     -1.313216    0.00  -0.000077484  -0.000540274  -0.000610343
 C      1.923007     -3.175825     -0.562880    0.00  -0.000132119  -0.000082730  -0.000310164
 H      2.808764     -3.777480     -0.774678    0.00  -0.000017643   0.000008854  -0.000014782
 O      1.588028     -3.333050      0.737364    0.00  -0.000160148   0.000098520  -0.000336131
26
 Energy =      -0.315189838817
 C      0.066060      2.081591      0.352751    0.00  -0.000334886   0.000035536  -0.000040705
 C     -1.103837      2.124514     -0.632216    0.00  -0.000382973  -0.000031961  -0.000658531
 C     -1.350068      0.764563     -1.290598    0.00  -0.000369966   0.000047081  -0.000132497
 C     -1.985713     -0.270396     -0.346909    0.00   0.000182394  -0.000077055   0.000180904
 C     -0.966463     -0.916901      0.576023    0.00   0.000045233   0.000024543   0.000167158
 C     -0.241049      1.237966      1.580717    0.00   0.000370589   0.000263530   0.000311178
 H     -2.014342      0.903752     -2.168736    0.00  -0.000043342   0.000003602  -0.000017355
 H     -2.022032      2.483811     -0.128111    0.00  -0.000009664  -0.000004947  -0.000120972
 H     -0.889548      2.875075     -1.420865    0.00  -0.000102879  -0.000015223  -0.000060481
 H      0.972225      1.680201     -0.151102    0.00  -0.000048286  -0.000001199   0.000050615
 H      0.332295      3.110121      0.669201    0.00  -0.000040728   0.000003213  -0.000023435
 H     -2.757299      0.228575      0.294314    0.00   0.000022699  -0.000043063  -0.000022914
 H     -1.253181      1.407263      1.983764    0.00   0.000043325   0.000042886  -0.000025836
 H      0.512285      1.379082      2.383591    0.00   0.000063136   0.000040043   0.000056357
 H     -0.402971      0.359332     -1.707003    0.00  -0.000048775   0.000016513   0.000020707
 O     -0.851070     -2.115308      0.759070    0.00  -0.000037804   0.000049546  -0.000424164
 C     -2.652358     -1.381970     -1.164439    0.00   0.000544673   0.000072135   0.000823769
 H     -3.053975     -2.173677     -0.516292    0.00   0.000079494  -0.000012822   0.000079169
 H     -3.473579     -0.998031     -1.776864    0.00   0.000056743  -0.000012112   0.000072056
 H     -1.929955     -1.874024     -1.833688    0.00   0.000042983   0.000044300   0.000103929
 H      0.743874     -2.819320      1.016491    0.00  -0.000003051  -0.000000628  -0.000028282
 O     -0.077686     -0.181298      1.331271    0.00   0.000333338   0.000079733   0.000949491
 O      1.306336     -2.455044     -1.315642    0.00  -0.000071344  -0.000545076  -0.000606922
 C      1.927631     -3.176099     -0.565849    0.00  -0.000122895  -0.000089952  -0.000308301
 H      2.811314     -3.780852     -0.777467    0.00  -0.000016584   0.000007221  -0.000014938
 O      1.590151     -3.334380      0.733644    0.00  -0.000151430   0.000104157  -0.000330002
26
 Energy =      -0.315337058812
 C      0.068733      2.076888      0.352203    0.00  -0.000338579   0.000036875  -0.000044177
 C     -1.094945      2.121402     -0.640090    0.00  -0.000385009  -0.000031600  -0.000638908
 C     -1.346616      0.759482     -1.292408    0.00  -0.000361269   0.000051151  -0.000123535
 C     -1.987669     -0.267870     -0.343864    0.00   0.000179621  -0.000070764   0.000177826
 C     -0.968680     -0.916590      0.577794    0.00   0.000049169   0.000027405   0.000170604
 C     -0.249394      1.240030      1.582091    0.00   0.000353966   0.000253646   0.000292009
 H     -2.009432      0.897468     -2.171800    0.00  -0.000041806   0.000003856  -0.000016083
 H     -2.013756      2.489531     -0.143502    0.00  -0.000011496  -0.000005719  -0.000118137
 H     -0.871060      2.866023     -1.431719    0.00  -0.000101610  -0.000014620  -0.000057392
 H      0.975918      1.668864     -0.144504    0.00  -0.000047429  -0.000000028   0.000049518
 H      0.338128      3.105509      0.665657    0.00  -0.000041517   0.000003264  -0.000023537
 H     -2.754004      0.238731      0.297614    0.00   0.000021917  -0.000040967  -0.000022741
 H     -1.264287      1.412828      1.976541    0.00   0.000041502   0.000040350  -0.000026128
 H      0.497929      1.383713      2.390052    0.00   0.000060524   0.000038619   0.000052890
 H     -0.400974      0.348058     -1.706097    0.00  -0.000047208   0.000017182   0.000020917
 O     -0.848692     -2.115366      0.754728    0.00  -0.000024406   0.000050329  -0.000392930
 C     -2.664453     -1.377729     -1.155067    0.00   0.000531068   0.000067517   0.000800657
 H     -3.068952     -2.164534     -0.502829    0.00   0.000078884  -0.000012756   0.000076552
 H     -3.485351     -0.990403     -1.765842    0.00   0.000054901  -0.000011895   0.000068546
 H     -1.947805     -1.876785     -1.825282    0.00   0.000041718   0.000042064   0.000102405
 H      0.746989     -2.818664      1.012114    0.00  -0.000002835   0.000000415  -0.000027649
 O     -0.086116     -0.180613      1.339862    0.00   0.000325954   0.000086244   0.000926105
 O      1.315122     -2.451146     -1.318068    0.00  -0.000064711  -0.000548849  -0.000602136
 C      1.932361     -3.176208     -0.568810    0.00  -0.000113278  -0.000097038  -0.000305986
 H      2.814038     -3.783962     -0.780182    0.00  -0.000015483   0.000005554  -0.000015097
 O      1.592183     -3.335696      0.729858    0.00  -0.000142586   0.000109766  -0.000323592
26
 Energy =       -0.31548062725
 C      0.071515      2.072019      0.351585    0.00  -0.000341659   0.000038040  -0.000047648
 C     -1.085991      2.118119     -0.647890    0.00  -0.000386147  -0.000031061  -0.000618692
 C     -1.343273      0.754336     -1.294192    0.00  -0.000352212   0.000054915  -0.000114707
 C     -1.989700     -0.265359     -0.340844    0.00   0.000176478  -0.000064525   0.000174449
 C     -0.971041     -0.916264      0.579632    0.00   0.000052797   0.000030146   0.000173683
 C     -0.257536      1.242047      1.583361    0.00   0.000337015   0.000243350   0.000272776
 H     -2.004695      0.891200     -2.174771    0.00  -0.000040252   0.000004080  -0.000014845
 H     -2.005249      2.495064     -0.158767    0.00  -0.000013264  -0.000006448  -0.000115159
 H     -0.852577      2.856738     -1.442406    0.00  -0.000100165  -0.000013964  -0.000054278
 H      0.979562      1.657309     -0.138027    0.00  -0.000046496   0.000001117   0.000048359
 H      0.344197      3.100690      0.662002    0.00  -0.000042249   0.000003325  -0.000023602
 H     -2.750808      0.248816      0.300774    0.00   0.000021098  -0.000038862  -0.000022541
 H     -1.275032      1.418453      1.969340    0.00   0.000039634   0.000037804  -0.000026393
 H      0.483894      1.388270      2.396222    0.00   0.000057855   0.000037133   0.000049438
 H     -0.399176      0.336692     -1.705233    0.00  -0.000045586   0.000017781   0.000021102
 O     -0.846543     -2.115350      0.750574    0.00  -0.000011647   0.000051314  -0.000361073
 C     -2.676484     -1.373459     -1.145720    0.00   0.000516659   0.000063199   0.000776516
 H     -3.084015     -2.155230     -0.489399    0.00   0.000078124  -0.000012671   0.000073785
 H     -3.496875     -0.982757     -1.755075    0.00   0.000052960  -0.000011634   0.000065037
 H     -1.965527     -1.879596     -1.816652    0.00   0.000040453   0.000039834   0.000100723
 H      0.749952     -2.818076      1.007607    0.00  -0.000002637   0.000001475  -0.000026969
 O     -0.094617     -0.179973      1.348388    0.00   0.000318055   0.000092057   0.000901335
 O      1.324082     -2.447065     -1.320489    0.00  -0.000057537  -0.000551598  -0.000595942
 C      1.937198     -3.176140     -0.571761    0.00  -0.000103279  -0.000103986  -0.000303172
 H      2.816947     -3.786789     -0.782819    0.00  -0.000014343   0.000003862  -0.000015256
 O      1.594121     -3.336998      0.726001    0.00  -0.000133656   0.000115321  -0.000316926
26
 Energy =      -0.315620414634
 C      0.074411      2.066978      0.350892    0.00  -0.000344115   0.000039031  -0.000051094
 C     -1.076979      2.114665     -0.655611    0.00  -0.000386379  -0.000030338  -0.000597977
 C     -1.340040      0.749127     -1.295952    0.00  -0.000342846   0.000058351  -0.000106053
 C     -1.991806     -0.262868     -0.337848    0.00   0.000172972  -0.000058379   0.000170777
 C     -0.973547     -0.915926      0.581538    0.00   0.000056143   0.000032746   0.000176341
 C     -0.265463      1.244017      1.584527    0.00   0.000319779   0.000232713   0.000253536
 H     -2.000132      0.884950     -2.177650    0.00  -0.000038688   0.000004274  -0.000013645
 H     -1.996516      2.500407     -0.173897    0.00  -0.000014959  -0.000007132  -0.000112050
 H     -0.834109      2.847222     -1.452925    0.00  -0.000098551  -0.000013262  -0.000051152
 H      0.983162      1.645531     -0.131682    0.00  -0.000045486   0.000002228   0.000047144
 H      0.350510      3.095658      0.658233    0.00  -0.000042918   0.000003394  -0.000023622
 H     -2.747716      0.258824      0.303792    0.00   0.000020242  -0.000036758  -0.000022314
 H     -1.285407      1.424137      1.962163    0.00   0.000037726   0.000035262  -0.000026626
 H      0.470197      1.392748      2.402103    0.00   0.000055139   0.000035594   0.000046014
 H     -0.397577      0.325236     -1.704411    0.00  -0.000043915   0.000018307   0.000021260
 O     -0.844638     -2.115267      0.746622    0.00   0.000000342   0.000052536  -0.000328783
 C     -2.688448     -1.369166     -1.136405    0.00   0.000501538   0.000059182   0.000751486
 H     -3.099157     -2.145766     -0.476010    0.00   0.000077220  -0.000012564   0.000070878
 H     -3.508151     -0.975104     -1.744572    0.00   0.000050932  -0.000011334   0.000061545
 H     -1.983117     -1.882458     -1.807806    0.00   0.000039195   0.000037624   0.000098889
 H      0.752752     -2.817565      1.002968    0.00  -0.000002466   0.000002544  -0.000026248
 O     -0.103180     -0.179380      1.356846    0.00   0.000309627   0.000097165   0.000875238
 O      1.333210     -2.442793     -1.322900    0.00  -0.000049781  -0.000553343  -0.000588283
 C      1.942143     -3.175884     -0.574700    0.00  -0.000092908  -0.000110769  -0.000299846
 H      2.820048     -3.789308     -0.785378    0.00  -0.000013164   0.000002153  -0.000015412
 O      1.595961     -3.338287      0.722069    0.00  -0.000124678   0.000120776  -0.000310004
26
 Energy =      -0.315756307372
 C      0.077423      2.061766      0.350120    0.00  -0.000345926   0.000039844  -0.000054484
 C     -1.067909      2.111038     -0.663256    0.00  -0.000385718  -0.000029439  -0.000576853
 C     -1.336916      0.743854     -1.297685    0.00  -0.000333223   0.000061446  -0.000097612
 C     -1.993986     -0.260399     -0.334880    0.00   0.000169128  -0.000052336   0.000166829
 C     -0.976199     -0.915578      0.583514    0.00   0.000059087   0.000035237   0.000178560
 C     -0.273167      1.245935      1.585590    0.00   0.000302309   0.000221800   0.000234358
 H     -1.995740      0.878720     -2.180438    0.00  -0.000037123   0.000004434  -0.000012489
 H     -1.987558      2.505555     -0.188883    0.00  -0.000016575  -0.000007763  -0.000108819
 H     -0.815667      2.837475     -1.463276    0.00  -0.000096774  -0.000012517  -0.000048035
 H      0.986717      1.633527     -0.125478    0.00  -0.000044403   0.000003300   0.000045873
 H      0.357075      3.090408      0.654346    0.00  -0.000043521   0.000003478  -0.000023597
 H     -2.744729      0.268753      0.306668    0.00   0.000019354  -0.000034666  -0.000022063
 H     -1.295404      1.429882      1.955014    0.00   0.000035781   0.000032741  -0.000026828
 H      0.456856      1.397142      2.407694    0.00   0.000052382   0.000034009   0.000042635
 H     -0.396178      0.313691     -1.703630    0.00  -0.000042201   0.000018757   0.000021389
 O     -0.842987     -2.115122      0.742880    0.00   0.000011535   0.000053979  -0.000296292
 C     -2.700340     -1.364853     -1.127128    0.00   0.000485797   0.000055472   0.000725692
 H     -3.114370     -2.136149     -0.462675    0.00   0.000076172  -0.000012436   0.000067847
 H     -3.519179     -0.967452     -1.734342    0.00   0.000048827  -0.000011002   0.000058090
 H     -2.000567     -1.885367     -1.798754    0.00   0.000037955   0.000035444   0.000096914
 H      0.755377     -2.817140      0.998195    0.00  -0.000002309   0.000003619  -0.000025481
 O     -0.111797     -0.178832      1.365230    0.00   0.000300673   0.000101539   0.000847872
 O      1.342501     -2.438316     -1.325294    0.00  -0.000041395  -0.000554102  -0.000579125
 C      1.947197     -3.175425     -0.577625    0.00  -0.000082176  -0.000117364  -0.000295973
 H      2.823353     -3.791495     -0.787856    0.00  -0.000011949   0.000000433  -0.000015560
 O      1.597696     -3.339561      0.718060    0.00  -0.000115708   0.000126094  -0.000302847
26
 Energy =      -0.315888208291
 C      0.080560      2.056378      0.349265    0.00  -0.000347075   0.000040489  -0.000057804
 C     -1.058787      2.107237     -0.670821    0.00  -0.000384182  -0.000028367  -0.000555420
 C     -1.333901      0.738518     -1.299392    0.00  -0.000323389   0.000064184  -0.000089424
 C     -1.996238     -0.257954     -0.331941    0.00   0.000164945  -0.000046440   0.000162607
 C     -0.979000     -0.915224      0.585560    0.00   0.000061648   0.000037593   0.000180285
 C     -0.280633      1.247800      1.586545    0.00   0.000284643   0.000210694   0.000215318
 H     -1.991519      0.872507     -2.183137    0.00  -0.000035565   0.000004563  -0.000011381
 H     -1.978378      2.510504     -0.203715    0.00  -0.000018103  -0.000008340  -0.000105484
 H     -0.797265      2.827500     -1.473462    0.00  -0.000094842  -0.000011735  -0.000044939
 H      0.990232      1.621296     -0.119424    0.00  -0.000043252   0.000004325   0.000044551
 H      0.363897      3.084934      0.650337    0.00  -0.000044051   0.000003573  -0.000023521
 H     -2.741848      0.278596      0.309400    0.00   0.000018434  -0.000032598  -0.000021786
 H     -1.305011      1.435684      1.947898    0.00   0.000033804   0.000030244  -0.000026995
 H      0.443890      1.401447      2.412993    0.00   0.000049594   0.000032392   0.000039310
 H     -0.394978      0.302056     -1.702887    0.00  -0.000040452   0.000019127   0.000021487
 O     -0.841600     -2.114923      0.739360    0.00   0.000021828   0.000055657  -0.000263812
 C     -2.712158     -1.360526     -1.117898    0.00   0.000469527   0.000052073   0.000699270
 H     -3.129646     -2.126384     -0.449404    0.00   0.000074984  -0.000012289   0.000064708
 H     -3.529956     -0.959812     -1.724390    0.00   0.000046659  -0.000010641   0.000054692
 H     -2.017872     -1.888326     -1.789505    0.00   0.000036739   0.000033304   0.000094808
 H      0.757815     -2.816813      0.993284    0.00  -0.000002177   0.000004685  -0.000024678
 O     -0.120461     -0.178334      1.373534    0.00   0.000291193   0.000105193   0.000819327
 O      1.351947     -2.433622     -1.327664    0.00  -0.000032336  -0.000553892  -0.000568428
 C      1.952358     -3.174751     -0.580533    0.00  -0.000071100  -0.000123744  -0.000291531
 H      2.826870     -3.793324     -0.790250    0.00  -0.000010699  -0.000001285  -0.000015693
 O      1.599321     -3.340823      0.713970    0.00  -0.000106775   0.000131232  -0.000295468
26
 Energy =      -0.316016037003
 C      0.083824      2.050812      0.348323    0.00  -0.000347561   0.000040969  -0.000061030
 C     -1.049616      2.103260     -0.678304    0.00  -0.000381791  -0.000027129  -0.000533773
 C     -1.330995      0.733118     -1.301073    0.00  -0.000313402   0.000066558  -0.000081528
 C     -1.998562     -0.255537     -0.329031    0.00   0.000160432  -0.000040730   0.000158133
 C     -0.981947     -0.914867      0.587675    0.00   0.000063797   0.000039810   0.000181486
 C     -0.287850      1.249607      1.587393    0.00   0.000266835   0.000199465   0.000196487
 H     -1.987466      0.866316     -2.185750    0.00  -0.000034022   0.000004660  -0.000010323
 H     -1.968979      2.515247     -0.218385    0.00  -0.000019538  -0.000008856  -0.000102058
 H     -0.778912      2.817297     -1.483483    0.00  -0.000092763  -0.000010919  -0.000041879
 H      0.993709      1.608837     -0.113531    0.00  -0.000042036   0.000005299   0.000043183
 H      0.370983      3.079234      0.646203    0.00  -0.000044503   0.000003683  -0.000023394
 H     -2.739075      0.288351      0.311988    0.00   0.000017483  -0.000030563  -0.000021489
 H     -1.314217      1.441542      1.940816    0.00   0.000031798   0.000027788  -0.000027126
 H      0.431316      1.405655      2.417999    0.00   0.000046785   0.000030749   0.000036052
 H     -0.393976      0.290334     -1.702183    0.00  -0.000038678   0.000019417   0.000021553
 O     -0.840492     -2.114677      0.736072    0.00   0.000031159   0.000057575  -0.000231570
 C     -2.723896     -1.356188     -1.108724    0.00   0.000452820   0.000048984   0.000672351
 H     -3.144975     -2.116478     -0.436210    0.00   0.000073657  -0.000012121   0.000061480
 H     -3.540487     -0.952195     -1.714724    0.00   0.000044445  -0.000010260   0.000051368
 H     -2.035029     -1.891331     -1.780071    0.00   0.000035558   0.000031212   0.000092577
 H      0.760054     -2.816596      0.988236    0.00  -0.000002071   0.000005739  -0.000023843
 O     -0.129159     -0.177886      1.381751    0.00   0.000281185   0.000108127   0.000789692
 O      1.361539     -2.428698     -1.329998    0.00  -0.000022565  -0.000552740  -0.000556160
 C      1.957627     -3.173844     -0.583421    0.00  -0.000059688  -0.000129873  -0.000286498
 H      2.830611     -3.794765     -0.792559    0.00  -0.000009415  -0.000002989  -0.000015806
 O      1.600833     -3.342070      0.709798    0.00  -0.000097918   0.000136144  -0.000287885
26
 Energy =      -0.316139730145
 C      0.087222      2.045064      0.347291    0.00  -0.000347371   0.000041290  -0.000064133
 C     -1.040399      2.099108     -0.685707    0.00  -0.000378579  -0.000025730  -0.000512007
 C     -1.328196      0.727651     -1.302727    0.00  -0.000303313   0.000068557  -0.000073962
 C     -2.000955     -0.253151     -0.326155    0.00   0.000155601  -0.000035230   0.000153417
 C     -0.985042     -0.914513      0.589862    0.00   0.000065500   0.000041875   0.000182138
 C     -0.294807      1.251352      1.588129    0.00   0.000248928   0.000188181   0.000177926
 H     -1.983578      0.860144     -2.188278    0.00  -0.000032503   0.000004725  -0.000009321
 H     -1.959367      2.519779     -0.232886    0.00  -0.000020875  -0.000009310  -0.000098554
 H     -0.760623      2.806871     -1.493341    0.00  -0.000090548  -0.000010076  -0.000038874
 H      0.997152      1.596148     -0.107810    0.00  -0.000040761   0.000006214   0.000041773
 H      0.378340      3.073300      0.641941    0.00  -0.000044875   0.000003810  -0.000023219
 H     -2.736410      0.298010      0.314433    0.00   0.000016504  -0.000028568  -0.000021173
 H     -1.323010      1.447448      1.933773    0.00   0.000029765   0.000025384  -0.000027219
 H      0.419157      1.409759      2.422710    0.00   0.000043962   0.000029089   0.000032874
 H     -0.393169      0.278524     -1.701516    0.00  -0.000036886   0.000019625   0.000021585
 O     -0.839671     -2.114392      0.733023    0.00   0.000039471   0.000059725  -0.000199797
 C     -2.735553     -1.351844     -1.099613    0.00   0.000435767   0.000046194   0.000645071
 H     -3.160348     -2.106438     -0.423102    0.00   0.000072199  -0.000011936   0.000058182
 H     -3.550770     -0.944610     -1.705347    0.00   0.000042198  -0.000009861   0.000048133
 H     -2.052033     -1.894380     -1.770464    0.00   0.000034414   0.000029180   0.000090232
 H      0.762080     -2.816497      0.983052    0.00  -0.000001991   0.000006770  -0.000022978
 O     -0.137882     -0.177492      1.389872    0.00   0.000270668   0.000110363   0.000759076
 O      1.371266     -2.423525     -1.332287    0.00  -0.000012042  -0.000550672  -0.000542319
 C      1.963000     -3.172689     -0.586283    0.00  -0.000047964  -0.000135715  -0.000280830
 H      2.834581     -3.795789     -0.794781    0.00  -0.000008099  -0.000004667  -0.000015893
 O      1.602222     -3.343305      0.705541    0.00  -0.000089169   0.000140784  -0.000280130
26
 Energy =      -0.316259241629
 C      0.090758      2.039132      0.346164    0.00  -0.000346524   0.000041457  -0.000067108
 C     -1.031140      2.094775     -0.693027    0.00  -0.000374583  -0.000024181  -0.000490221
 C     -1.325504      0.722120     -1.304356    0.00  -0.000293187   0.000070188  -0.000066754
 C     -2.003415     -0.250799     -0.323314    0.00   0.000150465  -0.000029961   0.000148477
 C     -0.988283     -0.914165      0.592117    0.00   0.000066748   0.000043807   0.000182195
 C     -0.301488      1.253028      1.588754    0.00   0.000230975   0.000176915   0.000159716
 H     -1.979850      0.853992     -2.190723    0.00  -0.000031013   0.000004760  -0.000008377
 H     -1.949546      2.524094     -0.247205    0.00  -0.000022107  -0.000009697  -0.000094987
 H     -0.742410      2.796221     -1.503039    0.00  -0.000088205  -0.000009212  -0.000035934
 H      1.000564      1.583229     -0.102270    0.00  -0.000039431   0.000007067   0.000040320
 H      0.385970      3.067128      0.637548    0.00  -0.000045162   0.000003951  -0.000022981
 H     -2.733850      0.307569      0.316735    0.00   0.000015500  -0.000026628  -0.000020841
 H     -1.331378      1.453400      1.926770    0.00   0.000027722   0.000023039  -0.000027269
 H      0.407430      1.413748      2.427127    0.00   0.000041135   0.000027422   0.000029787
 H     -0.392554      0.266631     -1.700882    0.00  -0.000035085   0.000019751   0.000021580
 O     -0.839149     -2.114080      0.730224    0.00   0.000046718   0.000062083  -0.000168712
 C     -2.747124     -1.347498     -1.090573    0.00   0.000418459   0.000043685   0.000617565
 H     -3.175754     -2.096272     -0.410097    0.00   0.000070611  -0.000011732   0.000054832
 H     -3.560809     -0.937066     -1.696264    0.00   0.000039931  -0.000009452   0.000045002
 H     -2.068879     -1.897471     -1.760699    0.00   0.000033313   0.000027214   0.000087784
 H      0.763882     -2.816531      0.977734    0.00  -0.000001937   0.000007766  -0.000022093
 O     -0.146614     -0.177155      1.397890    0.00   0.000259644   0.000111903   0.000727595
 O      1.381113     -2.418087     -1.334516    0.00  -0.000000740  -0.000547722  -0.000526893
 C      1.968472     -3.171266     -0.589114    0.00  -0.000035936  -0.000141220  -0.000274532
 H      2.838788     -3.796365     -0.796915    0.00  -0.000006750  -0.000006305  -0.000015944
 O      1.603486     -3.344527      0.701196    0.00  -0.000080558   0.000145102  -0.000272207
26
 Energy =      -0.316374542787
 C      0.094437      2.033015      0.344938    0.00  -0.000345021   0.000041486  -0.000069935
 C     -1.021843      2.090265     -0.700264    0.00  -0.000369853  -0.000022491  -0.000468511
 C     -1.322914      0.716523     -1.305959    0.00  -0.000283075   0.000071448  -0.000059935
 C     -2.005938     -0.248487     -0.320509    0.00   0.000145039  -0.000024950   0.000143329
 C     -0.991667     -0.913832      0.594438    0.00   0.000067521   0.000045599   0.000181641
 C     -0.307881      1.254631      1.589262    0.00   0.000213027   0.000165734   0.000141925
 H     -1.976278      0.847858     -2.193091    0.00  -0.000029561   0.000004766  -0.000007491
 H     -1.939521      2.528186     -0.261335    0.00  -0.000023232  -0.000010018  -0.000091375
 H     -0.724286      2.785355     -1.512580    0.00  -0.000085749  -0.000008333  -0.000033076
 H      1.003950      1.570083     -0.096924    0.00  -0.000038057   0.000007852   0.000038835
 H      0.393879      3.060713      0.633022    0.00  -0.000045360   0.000004107  -0.000022690
 H     -2.731394      0.317022      0.318893    0.00   0.000014473  -0.000024745  -0.000020494
 H     -1.339310      1.459387      1.919812    0.00   0.000025668   0.000020761  -0.000027274
 H      0.396159      1.417615      2.431244    0.00   0.000038314   0.000025757   0.000026800
 H     -0.392127      0.254655     -1.700283    0.00  -0.000033285   0.000019796   0.000021537
 O     -0.838935     -2.113748      0.727681    0.00   0.000052864   0.000064635  -0.000138530
 C     -2.758605     -1.343157     -1.081613    0.00   0.000400977   0.000041448   0.000589957
 H     -3.191179     -2.085990     -0.397203    0.00   0.000068901  -0.000011514   0.000051452
 H     -3.570607     -0.929572     -1.687477    0.00   0.000037660  -0.000009039   0.000041989
 H     -2.085564     -1.900597     -1.750790    0.00   0.000032258   0.000025321   0.000085243
 H      0.765446     -2.816706      0.972285    0.00  -0.000001908   0.000008720  -0.000021194
 O     -0.155344     -0.176879      1.405793    0.00   0.000248132   0.000112767   0.000695376
 O      1.391065     -2.412363     -1.336669    0.00   0.000011372  -0.000543924  -0.000509898
 C      1.974038     -3.169557     -0.591909    0.00  -0.000023637  -0.000146351  -0.000267572
 H      2.843234     -3.796460     -0.798958    0.00  -0.000005371  -0.000007888  -0.000015954
 O      1.604618     -3.345734      0.696766    0.00  -0.000072099   0.000149056  -0.000264156
26
 Energy =      -0.316485622641
 C      0.098263      2.026711      0.343609    0.00  -0.000342884   0.000041382  -0.000072596
 C     -1.012512      2.085575     -0.707417    0.00  -0.000364435  -0.000020676  -0.000446967
 C     -1.320425      0.710858     -1.307538    0.00  -0.000273036   0.000072345  -0.000053533
 C     -2.008519     -0.246220     -0.317744    0.00   0.000139333  -0.000020217   0.000137990
 C     -0.995191     -0.913518      0.596824    0.00   0.000067796   0.000047239   0.000180471
 C     -0.313971      1.256151      1.589651    0.00   0.000195137   0.000154698   0.000124607
 H     -1.972857      0.841742     -2.195382    0.00  -0.000028152   0.000004745  -0.000006667
 H     -1.929299      2.532049     -0.275268    0.00  -0.000024246  -0.000010269  -0.000087729
 H     -0.706267      2.774274     -1.521965    0.00  -0.000083191  -0.000007447  -0.000030314
 H      1.007313      1.556712     -0.091783    0.00  -0.000036645   0.000008567   0.000037317
 H      0.402067      3.054051      0.628361    0.00  -0.000045468   0.000004280  -0.000022345
 H     -2.729039      0.326362      0.320911    0.00   0.000013426  -0.000022930  -0.000020135
 H     -1.346790      1.465402      1.912902    0.00   0.000023613   0.000018565  -0.000027234
 H      0.385362      1.421346      2.435061    0.00   0.000035507   0.000024103   0.000023926
 H     -0.391883      0.242597     -1.699714    0.00  -0.000031493   0.000019761   0.000021455
 O     -0.839037     -2.113410      0.725399    0.00   0.000057899   0.000067352  -0.000109460
 C     -2.769993     -1.338825     -1.072742    0.00   0.000383406   0.000039456   0.000562379
 H     -3.206611     -2.075604     -0.384435    0.00   0.000067074  -0.000011281   0.000048063
 H     -3.580166     -0.922138     -1.678985    0.00   0.000035398  -0.000008625   0.000039103
 H     -2.102087     -1.903757     -1.740755    0.00   0.000031249   0.000023506   0.000082617
 H      0.766760     -2.817034      0.966711    0.00  -0.000001905   0.000009616  -0.000020286
 O     -0.164054     -0.176668      1.413571    0.00   0.000236157   0.000112997   0.000662558
 O      1.401100     -2.406331     -1.338730    0.00   0.000024297  -0.000539326  -0.000491358
 C      1.979689     -3.167540     -0.594660    0.00  -0.000011069  -0.000151049  -0.000259946
 H      2.847922     -3.796040     -0.800912    0.00  -0.000003961  -0.000009399  -0.000015912
 O      1.605611     -3.346928      0.692248    0.00  -0.000063808   0.000152608  -0.000256003
26
 Energy =      -0.316592488189
 C      0.102241      2.020216      0.342171    0.00  -0.000340133   0.000041157  -0.000075082
 C     -1.003151      2.080703     -0.714487    0.00  -0.000358394  -0.000018748  -0.000425685
 C     -1.318034      0.705125     -1.309093    0.00  -0.000263122   0.000072888  -0.000047563
 C     -2.011155     -0.244001     -0.315020    0.00   0.000133369  -0.000015773   0.000132476
 C     -0.998850     -0.913230      0.599270    0.00   0.000067568   0.000048734   0.000178675
 C     -0.319743      1.257582      1.589919    0.00   0.000177359   0.000143869   0.000107833
 H     -1.969581      0.835640     -2.197600    0.00  -0.000026795   0.000004697  -0.000005906
 H     -1.918886      2.535673     -0.288995    0.00  -0.000025144  -0.000010450  -0.000084065
 H     -0.688363      2.762982     -1.531197    0.00  -0.000080545  -0.000006560  -0.000027660
 H      1.010658      1.543118     -0.086860    0.00  -0.000035205   0.000009208   0.000035772
 H      0.410538      3.047139      0.623563    0.00  -0.000045485   0.000004466  -0.000021950
 H     -2.726779      0.335583      0.322788    0.00   0.000012362  -0.000021187  -0.000019767
 H     -1.353807      1.471434      1.906043    0.00   0.000021564   0.000016454  -0.000027147
 H      0.375063      1.424930      2.438575    0.00   0.000032722   0.000022469   0.000021171
 H     -0.391817      0.230463     -1.699175    0.00  -0.000029720   0.000019650   0.000021331
 O     -0.839463     -2.113075      0.723384    0.00   0.000061817   0.000070200  -0.000081685
 C     -2.781283     -1.334506     -1.063966    0.00   0.000365821   0.000037692   0.000534947
 H     -3.222035     -2.065126     -0.371806    0.00   0.000065137  -0.000011036   0.000044688
 H     -3.589492     -0.914771     -1.670786    0.00   0.000033159  -0.000008215   0.000036352
 H     -2.118444     -1.906945     -1.730611    0.00   0.000030286   0.000021777   0.000079917
 H      0.767813     -2.817524      0.961020    0.00  -0.000001924   0.000010450  -0.000019377
 O     -0.172726     -0.176529      1.421215    0.00   0.000223736   0.000112613   0.000629287
 O      1.411197     -2.399964     -1.340680    0.00   0.000038048  -0.000533974  -0.000471324
 C      1.985415     -3.165195     -0.597360    0.00   0.000001732  -0.000155270  -0.000251642
 H      2.852848     -3.795073     -0.802775    0.00  -0.000002522  -0.000010820  -0.000015813
 O      1.606460     -3.348107      0.687643    0.00  -0.000055692   0.000155712  -0.000247782
26
 Energy =      -0.316695164864
 C      0.106376      2.013528      0.340621    0.00  -0.000336804   0.000040823  -0.000077395
 C     -0.993765      2.075648     -0.721472    0.00  -0.000351794  -0.000016727  -0.000404747
 C     -1.315736      0.699322     -1.310626    0.00  -0.000253391   0.000073091  -0.000042053
 C     -2.013837     -0.241836     -0.312341    0.00   0.000127162  -0.000011634   0.000126810
 C     -1.002638     -0.912978      0.601772    0.00   0.000066827   0.000050075   0.000176263
 C     -0.325181      1.258912      1.590060    0.00   0.000159744   0.000133303   0.000091658
 H     -1.966442      0.829552     -2.199751    0.00  -0.000025491   0.000004625  -0.000005209
 H     -1.908292      2.539052     -0.302506    0.00  -0.000025926  -0.000010563  -0.000080401
 H     -0.670593      2.751487     -1.540280    0.00  -0.000077825  -0.000005676  -0.000025127
 H      1.013992      1.529306     -0.082164    0.00  -0.000033749   0.000009773   0.000034204
 H      0.419291      3.039972      0.618627    0.00  -0.000045407   0.000004665  -0.000021506
 H     -2.724610      0.344676      0.324526    0.00   0.000011287  -0.000019522  -0.000019391
 H     -1.360343      1.477470      1.899239    0.00   0.000019528   0.000014437  -0.000027009
 H      0.365283      1.428352      2.441782    0.00   0.000029971   0.000020861   0.000018543
 H     -0.391921      0.218252     -1.698665    0.00  -0.000027977   0.000019462   0.000021165
 O     -0.840219     -2.112760      0.721639    0.00   0.000064630   0.000073145  -0.000055375
 C     -2.792471     -1.330207     -1.055297    0.00   0.000348296   0.000036124   0.000507778
 H     -3.237433     -2.054567     -0.359330    0.00   0.000063097  -0.000010777   0.000041349
 H     -3.598587     -0.907482     -1.662880    0.00   0.000030956  -0.000007813   0.000033744
 H     -2.134634     -1.910157     -1.720379    0.00   0.000029366   0.000020136   0.000077152
 H      0.768595     -2.818185      0.955221    0.00  -0.000001964   0.000011207  -0.000018473
 O     -0.181342     -0.176469      1.428708    0.00   0.000210907   0.000111661   0.000595722
 O      1.421329     -2.393239     -1.342493    0.00   0.000052611  -0.000527919  -0.000449859
 C      1.991203     -3.162497     -0.600001    0.00   0.000014750  -0.000158961  -0.000242671
 H      2.858008     -3.793522     -0.804552    0.00  -0.000001053  -0.000012138  -0.000015649
 O      1.607159     -3.349267      0.682952    0.00  -0.000047751   0.000158338  -0.000239525
26
 Energy =      -0.316793697176
 C      0.110670      2.006648      0.338955    0.00  -0.000332937   0.000040390  -0.000079521
 C     -0.984359      2.070411     -0.728373    0.00  -0.000344703  -0.000014629  -0.000384244
 C     -1.313525      0.693447     -1.312138    0.00  -0.000243898   0.000072974  -0.000037007
 C     -2.016560     -0.239733     -0.309711    0.00   0.000120726  -0.000007816   0.000121014
 C     -1.006547     -0.912771      0.604324    0.00   0.000065583   0.000051266   0.000173246
 C     -0.330270      1.260132      1.590073    0.00   0.000142352   0.000123052   0.000076131
 H     -1.963433      0.823470     -2.201836    0.00  -0.000024249   0.000004533  -0.000004575
 H     -1.897523      2.542179     -0.315794    0.00  -0.000026589  -0.000010606  -0.000076748
 H     -0.652970      2.739793     -1.549217    0.00  -0.000075046  -0.000004806  -0.000022728
 H      1.017319      1.515283     -0.077711    0.00  -0.000032285   0.000010260   0.000032617
 H      0.428325      3.032547      0.613553    0.00  -0.000045236   0.000004875  -0.000021019
 H     -2.722525      0.353633      0.326128    0.00   0.000010202  -0.000017941  -0.000019007
 H     -1.366387      1.483496      1.892494    0.00   0.000017516   0.000012520  -0.000026821
 H      0.356046      1.431597      2.444683    0.00   0.000027258   0.000019291   0.000016050
 H     -0.392186      0.205967     -1.698181    0.00  -0.000026271   0.000019204   0.000020954
 O     -0.841309     -2.112476      0.720166    0.00   0.000066363   0.000076146  -0.000030667
 C     -2.803550     -1.325932     -1.046743    0.00   0.000330895   0.000034739   0.000480979
 H     -3.252789     -2.043947     -0.347020    0.00   0.000060963  -0.000010508   0.000038070
 H     -3.607456     -0.900276     -1.655262    0.00   0.000028806  -0.000007420   0.000031281
 H     -2.150651     -1.913385     -1.710081    0.00   0.000028485   0.000018586   0.000074332
 H      0.769094     -2.819023      0.949330    0.00  -0.000002024   0.000011879  -0.000017583
 O     -0.189881     -0.176494      1.436040    0.00   0.000197701   0.000110181   0.000562023
 O      1.431465     -2.386122     -1.344147    0.00   0.000067964  -0.000521222  -0.000427046
 C      1.997035     -3.159425     -0.602574    0.00   0.000027958  -0.000162071  -0.000233045
 H      2.863391     -3.791353     -0.806244    0.00   0.000000443  -0.000013334  -0.000015416
 O      1.607700     -3.350408      0.678179    0.00  -0.000039976   0.000160458  -0.000231271
26
 Energy =      -0.316888149499
 C      0.115130      1.999572      0.337168    0.00  -0.000328573   0.000039867  -0.000081472
 C     -0.974939      2.064990     -0.735190    0.00  -0.000337204  -0.000012474  -0.000364257
 C     -1.311398      0.687499     -1.313629    0.00  -0.000234690   0.000072552  -0.000032443
 C     -2.019316     -0.237698     -0.307133    0.00   0.000114095  -0.000004305   0.000115112
 C     -1.010570     -0.912617      0.606920    0.00   0.000063834   0.000052291   0.000169648
 C     -0.334993      1.261229      1.589952    0.00   0.000125232   0.000113161   0.000061309
 H     -1.960543      0.817393     -2.203862    0.00  -0.000023072   0.000004421  -0.000004005
 H     -1.886589      2.545043     -0.328851    0.00  -0.000027133  -0.000010584  -0.000073120
 H     -0.635508      2.727909     -1.558011    0.00  -0.000072223  -0.000003954  -0.000020472
 H      1.020646      1.501056     -0.073512    0.00  -0.000030833   0.000010671   0.000031015
 H      0.437637      3.024862      0.608340    0.00  -0.000044973   0.000005093  -0.000020493
 H     -2.720514      0.362443      0.327594    0.00   0.000009116  -0.000016446  -0.000018618
 H     -1.371922      1.489494      1.885811    0.00   0.000015536   0.000010709  -0.000026582
 H      0.347374      1.434650      2.447271    0.00   0.000024598   0.000017762   0.000013697
 H     -0.392604      0.193616     -1.697723    0.00  -0.000024616   0.000018879   0.000020699
 O     -0.842736     -2.112239      0.718966    0.00   0.000067055   0.000079161  -0.000007675
 C     -2.814514     -1.321691     -1.038312    0.00   0.000313688   0.000033497   0.000454653
 H     -3.268081     -2.033281     -0.334890    0.00   0.000058743  -0.000010228   0.000034872
 H     -3.616104     -0.893164     -1.647928    0.00   0.000026714  -0.000007040   0.000028966
 H     -2.166494     -1.916625     -1.699740    0.00   0.000027634   0.000017130   0.000071468
 H      0.769303     -2.820044      0.943362    0.00  -0.000002095   0.000012458  -0.000016711
 O     -0.198320     -0.176614      1.443196    0.00   0.000184160   0.000108226   0.000528364
 O      1.441573     -2.378584     -1.345614    0.00   0.000084063  -0.000513945  -0.000402990
 C      2.002892     -3.155950     -0.605070    0.00   0.000041337  -0.000164552  -0.000222795
 H      2.868980     -3.788531     -0.807855    0.00   0.000001966  -0.000014395  -0.000015105
 O      1.608078     -3.351525      0.673327    0.00  -0.000032357   0.000162045  -0.000223063
26
 Energy =      -0.316978607115
 C      0.119758      1.992301      0.335255    0.00  -0.000323774   0.000039275  -0.000083245
 C     -0.965508      2.059386     -0.741922    0.00  -0.000329378  -0.000010293  -0.000344857
 C     -1.309344      0.681477     -1.315105    0.00  -0.000225827   0.000071849  -0.000028370
 C     -2.022093     -0.235739     -0.304610    0.00   0.000107268  -0.000001138   0.000109132
 C     -1.014694     -0.912527      0.609553    0.00   0.000061603   0.000053172   0.000165513
 C     -0.339334      1.262192      1.589695    0.00   0.000108442   0.000103664   0.000047227
 H     -1.957763      0.811317     -2.205834    0.00  -0.000021960   0.000004297  -0.000003496
 H     -1.875503      2.547636     -0.341666    0.00  -0.000027554  -0.000010497  -0.000069533
 H     -0.618228      2.715841     -1.566665    0.00  -0.000069371  -0.000003128  -0.000018374
 H      1.023980      1.486632     -0.069583    0.00  -0.000029398   0.000011001   0.000029401
 H      0.447224      3.016917      0.602987    0.00  -0.000044618   0.000005315  -0.000019938
 H     -2.718568      0.371098      0.328927    0.00   0.000008033  -0.000015038  -0.000018225
 H     -1.376932      1.495447      1.879197    0.00   0.000013599   0.000009011  -0.000026290
 H      0.339290      1.437492      2.449545    0.00   0.000021995   0.000016284   0.000011489
 H     -0.393163      0.181200     -1.697288    0.00  -0.000023023   0.000018491   0.000020398
 O     -0.844502     -2.112065      0.718036    0.00   0.000066764   0.000082142   0.000013518
 C     -2.825354     -1.317489     -1.030016    0.00   0.000296721   0.000032390   0.000428894
 H     -3.283287     -2.022588     -0.322957    0.00   0.000056449  -0.000009940   0.000031781
 H     -3.624533     -0.886154     -1.640871    0.00   0.000024701  -0.000006673   0.000026799
 H     -2.182157     -1.919870     -1.689381    0.00   0.000026808   0.000015769   0.000068566
 H      0.769213     -2.821249      0.937336    0.00  -0.000002182   0.000012936  -0.000015864
 O     -0.206635     -0.176838      1.450160    0.00   0.000170350   0.000105849   0.000494910
 O      1.451611     -2.370590     -1.346865    0.00   0.000100855  -0.000506155  -0.000377807
 C      2.008750     -3.152048     -0.607476    0.00   0.000054850  -0.000166370  -0.000211964
 H      2.874753     -3.785027     -0.809393    0.00   0.000003512  -0.000015307  -0.000014721
 O      1.608284     -3.352613      0.668399    0.00  -0.000024865   0.000163094  -0.000214942
26
 Energy =      -0.317065177385
 C      0.124556      1.984836      0.333211    0.00  -0.000318594   0.000038614  -0.000084857
 C     -0.956074      2.053597     -0.748571    0.00  -0.000321309  -0.000008101  -0.000326129
 C     -1.307358      0.675378     -1.316565    0.00  -0.000217355   0.000070892  -0.000024780
 C     -2.024883     -0.233865     -0.302148    0.00   0.000100298   0.000001719   0.000103099
 C     -1.018909     -0.912514      0.612212    0.00   0.000058906   0.000053890   0.000160879
 C     -0.343274      1.263005      1.589296    0.00   0.000092046   0.000094609   0.000033933
 H     -1.955082      0.805234     -2.207757    0.00  -0.000020922   0.000004159  -0.000003050
 H     -1.864274      2.549948     -0.354230    0.00  -0.000027854  -0.000010350  -0.000065999
 H     -0.601144      2.703601     -1.575183    0.00  -0.000066506  -0.000002334  -0.000016440
 H      1.027327      1.472024     -0.065933    0.00  -0.000028005   0.000011258   0.000027777
 H      0.457079      3.008710      0.597498    0.00  -0.000044174   0.000005534  -0.000019361
 H     -2.716677      0.379582      0.330128    0.00   0.000006962  -0.000013722  -0.000017825
 H     -1.381404      1.501333      1.872655    0.00   0.000011715   0.000007425  -0.000025947
 H      0.331818      1.440104      2.451503    0.00   0.000019460   0.000014862   0.000009429
 H     -0.393847      0.168725     -1.696875    0.00  -0.000021499   0.000018045   0.000020047
 O     -0.846605     -2.111969      0.717376    0.00   0.000065554   0.000085046   0.000032861
 C     -2.836062     -1.313333     -1.021865    0.00   0.000280062   0.000031377   0.000403794
 H     -3.298380     -2.011894     -0.311234    0.00   0.000054092  -0.000009639   0.000028817
 H     -3.632747     -0.879255     -1.634087    0.00   0.000022769  -0.000006320   0.000024776
 H     -2.197630     -1.923115     -1.679034    0.00   0.000025995   0.000014505   0.000065638
 H      0.768820     -2.822638      0.931275    0.00  -0.000002273   0.000013309  -0.000015046
 O     -0.214799     -0.177177      1.456916    0.00   0.000156303   0.000103100   0.000461855
 O      1.461536     -2.362105     -1.347867    0.00   0.000118267  -0.000497921  -0.000351642
 C      2.014579     -3.147693     -0.609785    0.00   0.000068478  -0.000167483  -0.000200611
 H      2.880683     -3.780806     -0.810866    0.00   0.000005079  -0.000016060  -0.000014264
 O      1.608316     -3.353666      0.663404    0.00  -0.000017491   0.000163588  -0.000206954
26
 Energy =      -0.317147990953
 C      0.129527      1.977177      0.331035    0.00  -0.000313108   0.000037895  -0.000086313
 C     -0.946642      2.047625     -0.755134    0.00  -0.000313092  -0.000005925  -0.000308139
 C     -1.305430      0.669200     -1.318013    0.00  -0.000209323   0.000069703  -0.000021672
 C     -2.027672     -0.232085     -0.299751    0.00   0.000093203   0.000004260   0.000097040
 C     -1.023197     -0.912589      0.614889    0.00   0.000055767   0.000054443   0.000155808
 C     -0.346799      1.263655      1.588754    0.00   0.000076098   0.000086008   0.000021449
 H     -1.952488      0.799140     -2.209637    0.00  -0.000019957   0.000004009  -0.000002666
 H     -1.852919      2.551968     -0.366534    0.00  -0.000028030  -0.000010145  -0.000062529
 H     -0.584275      2.691200     -1.583565    0.00  -0.000063648  -0.000001580  -0.000014688
 H      1.030696      1.457246     -0.062580    0.00  -0.000026661   0.000011437   0.000026149
 H      0.467193      3.000245      0.591872    0.00  -0.000043645   0.000005751  -0.000018770
 H     -2.714828      0.387884      0.331199    0.00   0.000005911  -0.000012499  -0.000017419
 H     -1.385322      1.507130      1.866191    0.00   0.000009899   0.000005956  -0.000025553
 H      0.324981      1.442467      2.453140    0.00   0.000016998   0.000013503   0.000007520
 H     -0.394645      0.156198     -1.696485    0.00  -0.000020062   0.000017550   0.000019650
 O     -0.849040     -2.111968      0.716980    0.00   0.000063514   0.000087833   0.000050338
 C     -2.846624     -1.309236     -1.013870    0.00   0.000263753   0.000030450   0.000379433
 H     -3.313333     -2.001220     -0.299741    0.00   0.000051684  -0.000009328   0.000026002
 H     -3.640743     -0.872477     -1.627569    0.00   0.000020931  -0.000005981   0.000022894
 H     -2.212906     -1.926352     -1.668726    0.00   0.000025184   0.000013337   0.000062694
 H      0.768119     -2.824207      0.925209    0.00  -0.000002362   0.000013571  -0.000014258
 O     -0.222783     -0.177641      1.463447    0.00   0.000142100   0.000100047   0.000429379
 O      1.471300     -2.353094     -1.348586    0.00   0.000136204  -0.000489313  -0.000324654
 C      2.020348     -3.142861     -0.611985    0.00   0.000082199  -0.000167871  -0.000188821
 H      2.886731     -3.775841     -0.812287    0.00   0.000006662  -0.000016643  -0.000013735
 O      1.608162     -3.354676      0.658349    0.00  -0.000010218   0.000163532  -0.000199138
26
 Energy =      -0.317227202947
 C      0.134673      1.969328      0.328723    0.00  -0.000307384   0.000037135  -0.000087634
 C     -0.937222      2.041474     -0.761612    0.00  -0.000304823  -0.000003796  -0.000290960
 C     -1.303553      0.662945     -1.319450    0.00  -0.000201782   0.000068315  -0.000019045
 C     -2.030445     -0.230410     -0.297425    0.00   0.000086020   0.000006486   0.000090989
 C     -1.027546     -0.912763      0.617573    0.00   0.000052225   0.000054841   0.000150372
 C     -0.349889      1.264127      1.588064    0.00   0.000060654   0.000077893   0.000009808
 H     -1.949965      0.793029     -2.211479    0.00  -0.000019072   0.000003855  -0.000002343
 H     -1.841452      2.553688     -0.378567    0.00  -0.000028084  -0.000009890  -0.000059136
 H     -0.567642      2.678653     -1.591813    0.00  -0.000060808  -0.000000872  -0.000013119
 H      1.034093      1.442313     -0.059534    0.00  -0.000025390   0.000011544   0.000024519
 H      0.477556      2.991526      0.586115    0.00  -0.000043036   0.000005953  -0.000018176
 H     -2.713009      0.395986      0.332141    0.00   0.000004889  -0.000011367  -0.000017006
 H     -1.388671      1.512813      1.859813    0.00   0.000008155   0.000004610  -0.000025108
 H      0.318801      1.444561      2.454457    0.00   0.000014627   0.000012211   0.000005763
 H     -0.395536      0.143630     -1.696115    0.00  -0.000018721   0.000017007   0.000019204
 O     -0.851802     -2.112080      0.716843    0.00   0.000060731   0.000090449   0.000065956
 C     -2.857025     -1.305207     -1.006046    0.00   0.000247849   0.000029585   0.000355888
 H     -3.328113     -1.990597     -0.288495    0.00   0.000049239  -0.000009005   0.000023359
 H     -3.648525     -0.865832     -1.621311    0.00   0.000019194  -0.000005657   0.000021146
 H     -2.227970     -1.929576     -1.658491    0.00   0.000024366   0.000012267   0.000059745
 H      0.767110     -2.825949      0.919167    0.00  -0.000002450   0.000013723  -0.000013501
 O     -0.230559     -0.178243      1.469735    0.00   0.000127813   0.000096752   0.000397670
 O      1.480847     -2.343520     -1.348989    0.00   0.000154565  -0.000480405  -0.000297010
 C      2.026017     -3.137525     -0.614064    0.00   0.000095971  -0.000167522  -0.000176683
 H      2.892856     -3.770108     -0.813668    0.00   0.000008259  -0.000017055  -0.000013146
 O      1.607820     -3.355632      0.653243    0.00  -0.000003005   0.000162943  -0.000191553
26
 Energy =      -0.317302993828
 C      0.139992      1.961293      0.326272    0.00  -0.000301506   0.000036338  -0.000088831
 C     -0.927822      2.035146     -0.768001    0.00  -0.000296601  -0.000001747  -0.000274652
 C     -1.301711      0.656611     -1.320880    0.00  -0.000194780   0.000066755  -0.000016897
 C     -2.033188     -0.228850     -0.295178    0.00   0.000078763   0.000008393   0.000084989
 C     -1.031933     -0.913050      0.620252    0.00   0.000048320   0.000055086   0.000144646
 C     -0.352530      1.264404      1.587224    0.00   0.000045783   0.000070281  -0.000000971
 H     -1.947500      0.786893     -2.213290    0.00  -0.000018263   0.000003699  -0.000002074
 H     -1.829892      2.555097     -0.390316    0.00  -0.000028015  -0.000009585  -0.000055835
 H     -0.551266      2.665978     -1.599928    0.00  -0.000058008  -0.000000214  -0.000011745
 H      1.037526      1.427247     -0.056807    0.00  -0.000024204   0.000011582   0.000022890
 H      0.488152      2.982558      0.580231    0.00  -0.000042350   0.000006136  -0.000017589
 H     -2.711206      0.403872      0.332955    0.00   0.000003908  -0.000010327  -0.000016589
 H     -1.391441      1.518355      1.853527    0.00   0.000006501   0.000003382  -0.000024615
 H      0.313298      1.446363      2.455452    0.00   0.000012346   0.000010991   0.000004158
 H     -0.396503      0.131028     -1.695762    0.00  -0.000017490   0.000016426   0.000018710
 O     -0.854879     -2.112320      0.716957    0.00   0.000057328   0.000092859   0.000079765
 C     -2.867247     -1.301257     -0.998405    0.00   0.000232392   0.000028775   0.000333231
 H     -3.342683     -1.980057     -0.277515    0.00   0.000046775  -0.000008670   0.000020909
 H     -3.656086     -0.859331     -1.615308    0.00   0.000017568  -0.000005343   0.000019527
 H     -2.242804     -1.932782     -1.648363    0.00   0.000023525   0.000011291   0.000056799
 H      0.765795     -2.827852      0.913186    0.00  -0.000002531   0.000013763  -0.000012778
 O     -0.238096     -0.178994      1.475764    0.00   0.000113523   0.000093288   0.000366914
 O      1.490119     -2.333351     -1.349040    0.00   0.000173238  -0.000471259  -0.000268902
 C      2.031546     -3.131666     -0.616012    0.00   0.000109765  -0.000166442  -0.000164325
 H      2.899006     -3.763587     -0.815028    0.00   0.000009863  -0.000017292  -0.000012507
 O      1.607283     -3.356525      0.648098    0.00   0.000004151   0.000161831  -0.000184228
26
 Energy =      -0.317375569682
 C      0.145484      1.953083      0.323682    0.00  -0.000295555   0.000035517  -0.000089931
 C     -0.918453      2.028648     -0.774299    0.00  -0.000288528   0.000000213  -0.000259284
 C     -1.299895      0.650200     -1.322305    0.00  -0.000188362   0.000065046  -0.000015200
 C     -2.035883     -0.227418     -0.293016    0.00   0.000071521   0.000010040   0.000079048
 C     -1.036339     -0.913461      0.622916    0.00   0.000044076   0.000055157   0.000138724
 C     -0.354709      1.264474      1.586233    0.00   0.000031543   0.000063181  -0.000010881
 H     -1.945076      0.780731     -2.215078    0.00  -0.000017539   0.000003541  -0.000001867
 H     -1.818261      2.556186     -0.401772    0.00  -0.000027829  -0.000009242  -0.000052633
 H     -0.535170      2.653194     -1.607909    0.00  -0.000055265   0.000000385  -0.000010572
 H      1.041003      1.412073     -0.054412    0.00  -0.000023123   0.000011553   0.000021270
 H      0.498964      2.973354      0.574228    0.00  -0.000041593   0.000006293  -0.000017019
 H     -2.709407      0.411521      0.333642    0.00   0.000002977  -0.000009381  -0.000016156
 H     -1.393620      1.523729      1.847341    0.00   0.000004948   0.000002272  -0.000024077
 H      0.308489      1.447858      2.456126    0.00   0.000010170   0.000009851   0.000002704
 H     -0.397522      0.118407     -1.695426    0.00  -0.000016380   0.000015812   0.000018166
 O     -0.858258     -2.112703      0.717315    0.00   0.000053405   0.000095026   0.000091839
 C     -2.877271     -1.297402     -0.990964    0.00   0.000217437   0.000027989   0.000311528
 H     -3.357007     -1.969632     -0.266823    0.00   0.000044305  -0.000008316   0.000018659
 H     -3.663421     -0.852987     -1.609558    0.00   0.000016048  -0.000005042   0.000018026
 H     -2.257386     -1.935964     -1.638377    0.00   0.000022655   0.000010414   0.000053875
 H      0.764176     -2.829901      0.907304    0.00  -0.000002597   0.000013700  -0.000012082
 O     -0.245359     -0.179905      1.481515    0.00   0.000099304   0.000089710   0.000337314
 O      1.499052     -2.322558     -1.348704    0.00   0.000192086  -0.000461944  -0.000240523
 C      2.036888     -3.125261     -0.617821    0.00   0.000123550  -0.000164647  -0.000151876
 H      2.905125     -3.756264     -0.816384    0.00   0.000011471  -0.000017360  -0.000011835
 O      1.606547     -3.357339      0.642926    0.00   0.000011275   0.000160233  -0.000177217
26
 Energy =      -0.317445161698
 C      0.151143      1.944708      0.320955    0.00  -0.000289621   0.000034679  -0.000090937
 C     -0.909124      2.021985     -0.780504    0.00  -0.000280704   0.000002033  -0.000244903
 C     -1.298091      0.643712     -1.323728    0.00  -0.000182569   0.000063233  -0.000013957
 C     -2.038511     -0.226124     -0.290944    0.00   0.000064274   0.000011381   0.000073227
 C     -1.040743     -0.914007      0.625549    0.00   0.000039570   0.000055090   0.000132691
 C     -0.356415      1.264323      1.585091    0.00   0.000017986   0.000056595  -0.000019905
 H     -1.942675      0.774533     -2.216848    0.00  -0.000016895   0.000003389  -0.000001713
 H     -1.806581      2.556945     -0.412921    0.00  -0.000027527  -0.000008865  -0.000049549
 H     -0.519377      2.640327     -1.615753    0.00  -0.000052600   0.000000918  -0.000009601
 H      1.044529      1.396817     -0.052356    0.00  -0.000022158   0.000011465   0.000019661
 H      0.509968      2.963928      0.568115    0.00  -0.000040775   0.000006419  -0.000016479
 H     -2.707597      0.418917      0.334201    0.00   0.000002107  -0.000008526  -0.000015717
 H     -1.395203      1.528907      1.841264    0.00   0.000003501   0.000001283  -0.000023497
 H      0.304387      1.449023      2.456482    0.00   0.000008107   0.000008789   0.000001395
 H     -0.398569      0.105783     -1.695105    0.00  -0.000015409   0.000015171   0.000017576
 O     -0.861922     -2.113247      0.717906    0.00   0.000049100   0.000096910   0.000102285
 C     -2.887072     -1.293655     -0.983740    0.00   0.000203021   0.000027249   0.000290831
 H     -3.371042     -1.959360     -0.256442    0.00   0.000041848  -0.000007949   0.000016635
 H     -3.670520     -0.846818     -1.604058    0.00   0.000014650  -0.000004752   0.000016637
 H     -2.271689     -1.939119     -1.628570    0.00   0.000021742   0.000009625   0.000050979
 H      0.762265     -2.832077      0.901563    0.00  -0.000002656   0.000013535  -0.000011412
 O     -0.252319     -0.180989      1.486971    0.00   0.000085278   0.000086104   0.000309029
 O      1.507578     -2.311116     -1.347948    0.00   0.000210985  -0.000452511  -0.000212091
 C      2.041993     -3.118300     -0.619481    0.00   0.000137286  -0.000162180  -0.000139482
 H      2.911149     -3.748133     -0.817761    0.00   0.000013081  -0.000017265  -0.000011147
 O      1.605610     -3.358061      0.637742    0.00   0.000018377   0.000158183  -0.000170556
26
 Energy =      -0.317512024349
 C      0.156962      1.936180      0.318094    0.00  -0.000283790   0.000033829  -0.000091871
 C     -0.899849      2.015171     -0.786609    0.00  -0.000273230   0.000003696  -0.000231559
 C     -1.296285      0.637155     -1.325151    0.00  -0.000177449   0.000061330  -0.000013131
 C     -2.041054     -0.224980     -0.288973    0.00   0.000057107   0.000012471   0.000067532
 C     -1.045118     -0.914700      0.628142    0.00   0.000034844   0.000054871   0.000126644
 C     -0.357639      1.263939      1.583799    0.00   0.000005185   0.000050529  -0.000028068
 H     -1.940277      0.768298     -2.218609    0.00  -0.000016339   0.000003240  -0.000001617
 H     -1.794880      2.557371     -0.423752    0.00  -0.000027119  -0.000008463  -0.000046592
 H     -0.503909      2.627402     -1.623456    0.00  -0.000050032   0.000001389  -0.000008834
 H      1.048110      1.381515     -0.050643    0.00  -0.000021319   0.000011322   0.000018074
 H      0.521136      2.954298      0.561906    0.00  -0.000039906   0.000006502  -0.000015977
 H     -2.705763      0.426035      0.334632    0.00   0.000001311  -0.000007756  -0.000015267
 H     -1.396189      1.533861      1.835304    0.00   0.000002177   0.000000409  -0.000022886
 H      0.300999      1.449848      2.456525    0.00   0.000006163   0.000007815   0.000000229
 H     -0.399617      0.093174     -1.694795    0.00  -0.000014580   0.000014510   0.000016943
 O     -0.865847     -2.113961      0.718717    0.00   0.000044522   0.000098487   0.000111237
 C     -2.896622     -1.290031     -0.976749    0.00   0.000189183   0.000026529   0.000271196
 H     -3.384743     -1.949280     -0.246394    0.00   0.000039427  -0.000007565   0.000014835
 H     -3.677371     -0.840836     -1.598808    0.00   0.000013365  -0.000004472   0.000015351
 H     -2.285681     -1.942243     -1.618980    0.00   0.000020783   0.000008931   0.000048132
 H      0.760072     -2.834356      0.896006    0.00  -0.000002696   0.000013281  -0.000010767
 O     -0.258945     -0.182250      1.492120    0.00   0.000071511   0.000082518   0.000282254
 O      1.515626     -2.299014     -1.346745    0.00   0.000229812  -0.000443008  -0.000183822
 C      2.046812     -3.110772     -0.620986    0.00   0.000150932  -0.000159095  -0.000127312
 H      2.917011     -3.739196     -0.819184    0.00   0.000014688  -0.000017021  -0.000010461
 O      1.604473     -3.358674      0.632564    0.00   0.000025451   0.000155722  -0.000164263
26
 Energy =      -0.317576432202
 C      0.162931      1.927520      0.315104    0.00  -0.000278153   0.000032980  -0.000092753
 C     -0.890640      2.008216     -0.792611    0.00  -0.000266206   0.000005183  -0.000219295
 C     -1.294459      0.630531     -1.326575    0.00  -0.000173034   0.000059366  -0.000012721
 C     -2.043491     -0.223998     -0.287108    0.00   0.000050031   0.000013305   0.000062010
 C     -1.049441     -0.915546      0.630681    0.00   0.000029961   0.000054513   0.000120689
 C     -0.358384      1.263314      1.582361    0.00  -0.000006835   0.000044975  -0.000035367
 H     -1.937860      0.762021     -2.220365    0.00  -0.000015870   0.000003100  -0.000001570
 H     -1.783185      2.557458     -0.434253    0.00  -0.000026617  -0.000008044  -0.000043781
 H     -0.488790      2.614452     -1.631016    0.00  -0.000047582   0.000001786  -0.000008259
 H      1.051751      1.366203     -0.049273    0.00  -0.000020620   0.000011131   0.000016518
 H      0.532441      2.944489      0.555615    0.00  -0.000038993   0.000006540  -0.000015517
 H     -2.703892      0.432858      0.334934    0.00   0.000000592  -0.000007074  -0.000014811
 H     -1.396584      1.538565      1.829470    0.00   0.000000972  -0.000000352  -0.000022246
 H      0.298324      1.450320      2.456266    0.00   0.000004355   0.000006925  -0.000000801
 H     -0.400637      0.080600     -1.694492    0.00  -0.000013906   0.000013836   0.000016272
 O     -0.870011     -2.114857      0.719738    0.00   0.000039800   0.000099735   0.000118842
 C     -2.905892     -1.286549     -0.970010    0.00   0.000175967   0.000025837   0.000252658
 H     -3.398069     -1.939429     -0.236704    0.00   0.000037059  -0.000007167   0.000013264
 H     -3.683959     -0.835061     -1.593811    0.00   0.000012195  -0.000004201   0.000014157
 H     -2.299329     -1.945333     -1.609645    0.00   0.000019777   0.000008322   0.000045346
 H      0.757614     -2.836716      0.890678    0.00  -0.000002722   0.000012949  -0.000010142
 O     -0.265209     -0.183699      1.496947    0.00   0.000058150   0.000079033   0.000257127
 O      1.523128     -2.286248     -1.345070    0.00   0.000248435  -0.000433477  -0.000155923
 C      2.051294     -3.102677     -0.622333    0.00   0.000164446  -0.000155461  -0.000115531
 H      2.922645     -3.729466     -0.820677    0.00   0.000016292  -0.000016642  -0.000009798
 O      1.603137     -3.359161      0.627406    0.00   0.000032504   0.000152902  -0.000158370
26
 Energy =      -0.317638675122
 C      0.169039      1.918750      0.311998    0.00  -0.000272789   0.000032135  -0.000093574
 C     -0.881511      2.001138     -0.798506    0.00  -0.000259723   0.000006468  -0.000208139
 C     -1.292601      0.623848     -1.328002    0.00  -0.000169362   0.000057367  -0.000012688
 C     -2.045802     -0.223185     -0.285359    0.00   0.000043105   0.000013906   0.000056671
 C     -1.053688     -0.916550      0.633157    0.00   0.000024984   0.000054034   0.000114919
 C     -0.358654      1.262445      1.580785    0.00  -0.000018005   0.000039928  -0.000041839
 H     -1.935403      0.755699     -2.222126    0.00  -0.000015487   0.000002967  -0.000001573
 H     -1.771527      2.557206     -0.444419    0.00  -0.000026040  -0.000007615  -0.000041129
 H     -0.474040      2.601509     -1.638425    0.00  -0.000045269   0.000002114  -0.000007863
 H      1.055453      1.350922     -0.048242    0.00  -0.000020060   0.000010902   0.000015005
 H      0.543846      2.934529      0.549261    0.00  -0.000038054   0.000006526  -0.000015110
 H     -2.701974      0.439368      0.335104    0.00  -0.000000039  -0.000006473  -0.000014353
 H     -1.396401      1.542999      1.823769    0.00  -0.000000099  -0.000001011  -0.000021590
 H      0.296351      1.450434      2.455718    0.00   0.000002677   0.000006126  -0.000001705
 H     -0.401598      0.068083     -1.694190    0.00  -0.000013389   0.000013157   0.000015570
 O     -0.874382     -2.115939      0.720954    0.00   0.000035050   0.000100639   0.000125280
 C     -2.914856     -1.283221     -0.963540    0.00   0.000163400   0.000025171   0.000235241
 H     -3.410974     -1.929849     -0.227393    0.00   0.000034767  -0.000006755   0.000011918
 H     -3.690267     -0.829508     -1.589069    0.00   0.000011134  -0.000003941   0.000013048
 H     -2.312593     -1.948390     -1.600597    0.00   0.000018721   0.000007797   0.000042644
 H      0.754911     -2.839130      0.885617    0.00  -0.000002737   0.000012558  -0.000009536
 O     -0.271088     -0.185336      1.501446    0.00   0.000045262   0.000075687   0.000233776
 O      1.530014     -2.272829     -1.342911    0.00   0.000266759  -0.000423926  -0.000128612
 C      2.055392     -3.094024     -0.623521    0.00   0.000177790  -0.000151370  -0.000104294
 H      2.927986     -3.718963     -0.822268    0.00   0.000017896  -0.000016152  -0.000009177
 O      1.601610     -3.359508      0.622285    0.00   0.000039509   0.000149761  -0.000152890
26
 Energy =      -0.317699052189
 C      0.175268      1.909892      0.308785    0.00  -0.000267778   0.000031290  -0.000094344
 C     -0.872475      1.993952     -0.804286    0.00  -0.000253859   0.000007551  -0.000198100
 C     -1.290692      0.617115     -1.329433    0.00  -0.000166443   0.000055343  -0.000013008
 C     -2.047971     -0.222550     -0.283730    0.00   0.000036370   0.000014325   0.000051523
 C     -1.057835     -0.917715      0.635560    0.00   0.000019970   0.000053419   0.000109398
 C     -0.358460      1.261332      1.579079    0.00  -0.000028315   0.000035367  -0.000047535
 H     -1.932883      0.749330     -2.223898    0.00  -0.000015199   0.000002846  -0.000001624
 H     -1.759934      2.556618     -0.454245    0.00  -0.000025406  -0.000007186  -0.000038652
 H     -0.459673      2.588604     -1.645678    0.00  -0.000043117   0.000002371  -0.000007628
 H      1.059221      1.335711     -0.047536    0.00  -0.000019636   0.000010642   0.000013549
 H      0.555312      2.924449      0.542865    0.00  -0.000037101   0.000006464  -0.000014761
 H     -2.699998      0.445547      0.335142    0.00  -0.000000588  -0.000005948  -0.000013891
 H     -1.395662      1.547143      1.818210    0.00  -0.000001054  -0.000001568  -0.000020929
 H      0.295059      1.450193      2.454897    0.00   0.000001147   0.000005414  -0.000002489
 H     -0.402469      0.055645     -1.693883    0.00  -0.000013028   0.000012472   0.000014846
 O     -0.878929     -2.117210      0.722350    0.00   0.000030352   0.000101198   0.000130731
 C     -2.923482     -1.280066     -0.957354    0.00   0.000151504   0.000024524   0.000218959
 H     -3.423420     -1.920572     -0.218481    0.00   0.000032569  -0.000006333   0.000010772
 H     -3.696277     -0.824194     -1.584586    0.00   0.000010169  -0.000003692   0.000012017
 H     -2.325438     -1.951413     -1.591867    0.00   0.000017631   0.000007349   0.000040047
 H      0.751987     -2.841571      0.880861    0.00  -0.000002745   0.000012098  -0.000008948
 O     -0.276567     -0.187160      1.505616    0.00   0.000032972   0.000072528   0.000212341
 O      1.536225     -2.258782     -1.340262    0.00   0.000284715  -0.000414398  -0.000102097
 C      2.059063     -3.084827     -0.624553    0.00   0.000190896  -0.000146928  -0.000093715
 H      2.932972     -3.707719     -0.823983    0.00   0.000019497  -0.000015557  -0.000008605
 O      1.599902     -3.359696      0.617218    0.00   0.000046474   0.000146407  -0.000147858
26
 Energy =      -0.317757864546
 C      0.181601      1.900972      0.305481    0.00  -0.000263195   0.000030457  -0.000095068
 C     -0.863539      1.986678     -0.809949    0.00  -0.000248682   0.000008410  -0.000189178
 C     -1.288715      0.610339     -1.330867    0.00  -0.000164304   0.000053323  -0.000013666
 C     -2.049979     -0.222096     -0.282228    0.00   0.000029822   0.000014532   0.000046609
 C     -1.061862     -0.919039      0.637885    0.00   0.000015008   0.000052734   0.000104229
 C     -0.357821      1.259980      1.577252    0.00  -0.000037733   0.000031288  -0.000052471
 H     -1.930273      0.742911     -2.225688    0.00  -0.000014998   0.000002734  -0.000001719
 H     -1.748435      2.555701     -0.463729    0.00  -0.000024738  -0.000006766  -0.000036366
 H     -0.445698      2.575769     -1.652770    0.00  -0.000041139   0.000002563  -0.000007532
 H      1.063049      1.320613     -0.047139    0.00  -0.000019340   0.000010358   0.000012164
 H      0.566804      2.914283      0.536449    0.00  -0.000036152   0.000006351  -0.000014460
 H     -2.697959      0.451387      0.335044    0.00  -0.000001050  -0.000005495  -0.000013450
 H     -1.394397      1.550986      1.812794    0.00  -0.000001879  -0.000002036  -0.000020280
 H      0.294415      1.449603      2.453826    0.00  -0.000000237   0.000004788  -0.000003165
 H     -0.403220      0.043306     -1.693563    0.00  -0.000012821   0.000011791   0.000014116
 O     -0.883618     -2.118667      0.723916    0.00   0.000025812   0.000101400   0.000135377
 C     -2.931746     -1.277094     -0.951465    0.00   0.000140279   0.000023920   0.000203804
 H     -3.435374     -1.911630     -0.209985    0.00   0.000030483  -0.000005909   0.000009823
 H     -3.701972     -0.819132     -1.580368    0.00   0.000009301  -0.000003456   0.000011050
 H     -2.337827     -1.954403     -1.583480    0.00   0.000016509   0.000006962   0.000037565
 H      0.748870     -2.844012      0.876440    0.00  -0.000002751   0.000011622  -0.000008381
 O     -0.281637     -0.189166      1.509459    0.00   0.000021359   0.000069574   0.000192835
 O      1.541709     -2.244144     -1.337127    0.00   0.000302227  -0.000404872  -0.000076534
 C      2.062273     -3.075115     -0.625435    0.00   0.000203739  -0.000142212  -0.000083932
 H      2.937550     -3.695776     -0.825846    0.00   0.000021100  -0.000014902  -0.000008107
 O      1.598026     -3.359712      0.612219    0.00   0.000053378   0.000142842  -0.000143264
26
 Energy =      -0.317815408101
 C      0.188021      1.892017      0.302104    0.00  -0.000259081   0.000029626  -0.000095725
 C     -0.854714      1.979332     -0.815490    0.00  -0.000244248   0.000009070  -0.000181367
 C     -1.286655      0.603529     -1.332305    0.00  -0.000162946   0.000051290  -0.000014598
 C     -2.051812     -0.221824     -0.280856    0.00   0.000023532   0.000014607   0.000041881
 C     -1.065750     -0.920517      0.640129    0.00   0.000010122   0.000051931   0.000099475
 C     -0.356770      1.258399      1.575321    0.00  -0.000046276   0.000027647  -0.000056732
 H     -1.927553      0.736440     -2.227503    0.00  -0.000014895   0.000002625  -0.000001855
 H     -1.737051      2.554467     -0.472880    0.00  -0.000024067  -0.000006359  -0.000034278
 H     -0.432118      2.563030     -1.659697    0.00  -0.000039355   0.000002694  -0.000007550
 H      1.066939      1.305664     -0.047025    0.00  -0.000019160   0.000010060   0.000010865
 H      0.578282      2.904065      0.530035    0.00  -0.000035227   0.000006193  -0.000014211
 H     -2.695852      0.456881      0.334807    0.00  -0.000001434  -0.000005102  -0.000013026
 H     -1.392644      1.554522      1.807524    0.00  -0.000002593  -0.000002420  -0.000019649
 H      0.294377      1.448682      2.452529    0.00  -0.000001475   0.000004244  -0.000003744
 H     -0.403819      0.031084     -1.693218    0.00  -0.000012752   0.000011122   0.000013391
 O     -0.888416     -2.120305      0.725638    0.00   0.000021472   0.000101276   0.000139407
 C     -2.939625     -1.274316     -0.945885    0.00   0.000129729   0.000023326   0.000189752
 H     -3.446810     -1.903044     -0.201917    0.00   0.000028530  -0.000005486   0.000009027
 H     -3.707334     -0.814333     -1.576420    0.00   0.000008506  -0.000003235   0.000010146
 H     -2.349730     -1.957367     -1.575452    0.00   0.000015377   0.000006639   0.000035227
 H      0.745586     -2.846433      0.872375    0.00  -0.000002755   0.000011117  -0.000007840
 O     -0.286298     -0.191344      1.512986    0.00   0.000010534   0.000066862   0.000175313
 O      1.546421     -2.228968     -1.333523    0.00   0.000319285  -0.000395336  -0.000052102
 C      2.064995     -3.064917     -0.626180    0.00   0.000216282  -0.000137348  -0.000074996
 H      2.941683     -3.683176     -0.827880    0.00   0.000022709  -0.000014197  -0.000007671
 O      1.596000     -3.359545      0.607298    0.00   0.000060184   0.000139154  -0.000139140
26
 Energy =      -0.317871966703
 C      0.194506      1.883053      0.298669    0.00  -0.000255490   0.000028797  -0.000096305
 C     -0.846003      1.971934     -0.820910    0.00  -0.000240592   0.000009526  -0.000174631
 C     -1.284494      0.596690     -1.333744    0.00  -0.000162366   0.000049264  -0.000015800
 C     -2.053460     -0.221734     -0.279617    0.00   0.000017481   0.000014541   0.000037369
 C     -1.069487     -0.922142      0.642291    0.00   0.000005393   0.000051068   0.000095156
 C     -0.355336      1.256606      1.573298    0.00  -0.000053939   0.000024436  -0.000060371
 H     -1.924696      0.729913     -2.229350    0.00  -0.000014886   0.000002520  -0.000002029
 H     -1.725804      2.552929     -0.481709    0.00  -0.000023414  -0.000005972  -0.000032399
 H     -0.418924      2.550411     -1.666459    0.00  -0.000037772   0.000002768  -0.000007654
 H      1.070887      1.290897     -0.047162    0.00  -0.000019076   0.000009753   0.000009666
 H      0.589712      2.893825      0.523648    0.00  -0.000034343   0.000005998  -0.000014008
 H     -2.693671      0.462030      0.334429    0.00  -0.000001751  -0.000004765  -0.000012635
 H     -1.390448      1.557754      1.802398    0.00  -0.000003200  -0.000002729  -0.000019055
 H      0.294893      1.447452      2.451035    0.00  -0.000002564   0.000003774  -0.000004234
 H     -0.404241      0.018992     -1.692841    0.00  -0.000012815   0.000010460   0.000012688
 O     -0.893291     -2.122111      0.727503    0.00   0.000017383   0.000100835   0.000142995
 C     -2.947102     -1.271740     -0.940617    0.00   0.000119837   0.000022767   0.000176760
 H     -3.457713     -1.894831     -0.194283    0.00   0.000026715  -0.000005074   0.000008365
 H     -3.712350     -0.809807     -1.572747    0.00   0.000007779  -0.000003028   0.000009294
 H     -2.361121     -1.960307     -1.567794    0.00   0.000014247   0.000006361   0.000033040
 H      0.742165     -2.848811      0.868675    0.00  -0.000002771   0.000010605  -0.000007330
 O     -0.290557     -0.193681      1.516213    0.00   0.000000542   0.000064368   0.000159771
 O      1.550337     -2.213310     -1.329476    0.00   0.000335887  -0.000385789  -0.000028887
 C      2.067213     -3.054272     -0.626798    0.00   0.000228476  -0.000132419  -0.000066950
 H      2.945340     -3.669970     -0.830100    0.00   0.000024321  -0.000013463  -0.000007307
 O      1.593845     -3.359183      0.602463    0.00   0.000066917   0.000135397  -0.000135510
26
 Energy =      -0.317927806573
 C      0.201039      1.874102      0.295200    0.00  -0.000252441   0.000027961  -0.000096823
 C     -0.837406      1.964498     -0.826209    0.00  -0.000237738   0.000009795  -0.000168919
 C     -1.282220      0.589830     -1.335187    0.00  -0.000162554   0.000047240  -0.000017228
 C     -2.054916     -0.221822     -0.278510    0.00   0.000011686   0.000014368   0.000033045
 C     -1.073065     -0.923904      0.644375    0.00   0.000000870   0.000050143   0.000091317
 C     -0.353561      1.254617      1.571200    0.00  -0.000060756   0.000021630  -0.000063442
 H     -1.921681      0.723327     -2.231233    0.00  -0.000014969   0.000002415  -0.000002237
 H     -1.714708      2.551101     -0.490233    0.00  -0.000022808  -0.000005608  -0.000030735
 H     -0.406101      2.537927     -1.673053    0.00  -0.000036394   0.000002800  -0.000007816
 H      1.074888      1.276338     -0.047516    0.00  -0.000019080   0.000009443   0.000008577
 H      0.601065      2.883596      0.517307    0.00  -0.000033509   0.000005772  -0.000013843
 H     -2.691416      0.466839      0.333906    0.00  -0.000002011  -0.000004477  -0.000012288
 H     -1.387858      1.560691      1.797412    0.00  -0.000003715  -0.000002975  -0.000018501
 H      0.295901      1.445939      2.449372    0.00  -0.000003514   0.000003375  -0.000004644
 H     -0.404458      0.007040     -1.692419    0.00  -0.000012985   0.000009814   0.000012015
 O     -0.898211     -2.124074      0.729506    0.00   0.000013561   0.000100094   0.000146303
 C     -2.954168     -1.269368     -0.935665    0.00   0.000110573   0.000022227   0.000164771
 H     -3.468075     -1.886998     -0.187083    0.00   0.000025050  -0.000004676   0.000007806
 H     -3.717009     -0.805556     -1.569352    0.00   0.000007105  -0.000002842   0.000008486
 H     -2.371984     -1.963230     -1.560505    0.00   0.000013134   0.000006125   0.000031018
 H      0.738638     -2.851133      0.865347    0.00  -0.000002795   0.000010093  -0.000006858
 O     -0.294435     -0.196159      1.519162    0.00  -0.000008561   0.000062089   0.000146164
 O      1.553438     -2.197239     -1.325020    0.00   0.000352040  -0.000376212  -0.000006964
 C      2.068921     -3.043222     -0.627309    0.00   0.000240330  -0.000127498  -0.000059804
 H      2.948507     -3.656212     -0.832521    0.00   0.000025934  -0.000012720  -0.000007011
 O      1.591579     -3.358620      0.597718    0.00   0.000073548   0.000131624  -0.000132391
26
 Energy =      -0.317983172437
 C      0.207604      1.865183      0.291712    0.00  -0.000249946   0.000027115  -0.000097245
 C     -0.828917      1.957035     -0.831390    0.00  -0.000235694   0.000009897  -0.000164179
 C     -1.279817      0.582952     -1.336630    0.00  -0.000163495   0.000045211  -0.000018871
 C     -2.056175     -0.222082     -0.277536    0.00   0.000006144   0.000014103   0.000028914
 C     -1.076480     -0.925788      0.646387    0.00  -0.000003414   0.000049185   0.000087981
 C     -0.351484      1.252456      1.569044    0.00  -0.000066766   0.000019185  -0.000066006
 H     -1.918483      0.716675     -2.233159    0.00  -0.000015140   0.000002308  -0.000002475
 H     -1.703768      2.549005     -0.498476    0.00  -0.000022261  -0.000005270  -0.000029285
 H     -0.393629      2.525589     -1.679482    0.00  -0.000035225   0.000002788  -0.000008019
 H      1.078939      1.262006     -0.048049    0.00  -0.000019150   0.000009134   0.000007604
 H      0.612313      2.873402      0.511033    0.00  -0.000032741   0.000005528  -0.000013710
 H     -2.689089      0.471319      0.333237    0.00  -0.000002226  -0.000004224  -0.000011994
 H     -1.384927      1.563347      1.792557    0.00  -0.000004147  -0.000003159  -0.000017997
 H      0.297340      1.444177      2.447572    0.00  -0.000004327   0.000003036  -0.000004982
 H     -0.404451     -0.004769     -1.691939    0.00  -0.000013256   0.000009179   0.000011389
 O     -0.903150     -2.126177      0.731635    0.00   0.000010024   0.000099074   0.000149449
 C     -2.960817     -1.267202     -0.931022    0.00   0.000101896   0.000021706   0.000153718
 H     -3.477902     -1.879542     -0.180312    0.00   0.000023532  -0.000004303   0.000007321
 H     -3.721303     -0.801583     -1.566240    0.00   0.000006471  -0.000002672   0.000007720
 H     -2.382308     -1.966143     -1.553580    0.00   0.000012054   0.000005914   0.000029163
 H      0.735030     -2.853385      0.862379    0.00  -0.000002831   0.000009596  -0.000006434
 O     -0.297953     -0.198761      1.521861    0.00  -0.000016748   0.000060010   0.000134413
 O      1.555723     -2.180823     -1.320197    0.00   0.000367794  -0.000366583   0.000013621
 C      2.070123     -3.031808     -0.627730    0.00   0.000251819  -0.000122650  -0.000053513
 H      2.951179     -3.641949     -0.835151    0.00   0.000027548  -0.000011985  -0.000006779
 O      1.589226     -3.357852      0.593064    0.00   0.000080085   0.000127878  -0.000129805
26
 Energy =      -0.318038285422
 C      0.214184      1.856314      0.288225    0.00  -0.000248002   0.000026247  -0.000097578
 C     -0.820533      1.949556     -0.836456    0.00  -0.000234449   0.000009853  -0.000160349
 C     -1.277273      0.576056     -1.338072    0.00  -0.000165153   0.000043166  -0.000020682
 C     -2.057237     -0.222505     -0.276690    0.00   0.000000840   0.000013774   0.000024932
 C     -1.079732     -0.927782      0.648335    0.00  -0.000007430   0.000048182   0.000085141
 C     -0.349150      1.250143      1.566842    0.00  -0.000072014   0.000017087  -0.000068123
 H     -1.915085      0.709950     -2.235134    0.00  -0.000015406   0.000002194  -0.000002740
 H     -1.692989      2.546656     -0.506466    0.00  -0.000021788  -0.000004951  -0.000028040
 H     -0.381476      2.513399     -1.685752    0.00  -0.000034255   0.000002740  -0.000008245
 H      1.083034      1.247912     -0.048720    0.00  -0.000019274   0.000008832   0.000006750
 H      0.623436      2.863264      0.504842    0.00  -0.000032050   0.000005267  -0.000013601
 H     -2.686690      0.475486      0.332416    0.00  -0.000002408  -0.000004004  -0.000011753
 H     -1.381707      1.565741      1.787822    0.00  -0.000004504  -0.000003296  -0.000017551
 H      0.299142      1.442197      2.445665    0.00  -0.000005015   0.000002751  -0.000005253
 H     -0.404200     -0.016439     -1.691388    0.00  -0.000013603   0.000008561   0.000010817
 O     -0.908085     -2.128403      0.733887    0.00   0.000006764   0.000097805   0.000152568
 C     -2.967049     -1.265240     -0.926687    0.00   0.000093767   0.000021197   0.000143516
 H     -3.487201     -1.872459     -0.173960    0.00   0.000022164  -0.000003952   0.000006893
 H     -3.725229     -0.797884     -1.563408    0.00   0.000005868  -0.000002520   0.000006982
 H     -2.392092     -1.969055     -1.547007    0.00   0.000011011   0.000005725   0.000027477
 H      0.731369     -2.855559      0.859760    0.00  -0.000002878   0.000009118  -0.000006056
 O     -0.301140     -0.201467      1.524338    0.00  -0.000024011   0.000058095   0.000124436
 O      1.557200     -2.164129     -1.315050    0.00   0.000383157  -0.000356888   0.000032889
 C      2.070830     -3.020075     -0.628080    0.00   0.000262974  -0.000117917  -0.000048044
 H      2.953364     -3.627234     -0.837998    0.00   0.000029159  -0.000011267  -0.000006604
 O      1.586808     -3.356877      0.588495    0.00   0.000086535   0.000124198  -0.000127781
26
 Energy =      -0.318093342631
 C      0.220769      1.847507      0.284756    0.00  -0.000246603   0.000025356  -0.000097810
 C     -0.812242      1.942068     -0.841415    0.00  -0.000233978   0.000009675  -0.000157356
 C     -1.274576      0.569144     -1.339512    0.00  -0.000167505   0.000041110  -0.000022640
 C     -2.058103     -0.223084     -0.275970    0.00  -0.000004249   0.000013378   0.000021103
 C     -1.082823     -0.929872      0.650228    0.00  -0.000011162   0.000047180   0.000082786
 C     -0.346602      1.247703      1.564611    0.00  -0.000076543   0.000015293  -0.000069832
 H     -1.911467      0.703145     -2.237162    0.00  -0.000015758   0.000002069  -0.000003028
 H     -1.682365      2.544073     -0.514230    0.00  -0.000021398  -0.000004665  -0.000026992
 H     -0.369609      2.501354     -1.691868    0.00  -0.000033485   0.000002672  -0.000008488
 H      1.087171      1.234062     -0.049489    0.00  -0.000019439   0.000008532   0.000006016
 H      0.634420      2.853200      0.498748    0.00  -0.000031439   0.000005003  -0.000013513
 H     -2.684222      0.479357      0.331443    0.00  -0.000002561  -0.000003803  -0.000011584
 H     -1.378250      1.567896      1.783197    0.00  -0.000004797  -0.000003385  -0.000017162
 H      0.301244      1.440038      2.443679    0.00  -0.000005585   0.000002513  -0.000005467
 H     -0.403690     -0.027974     -1.690756    0.00  -0.000014013   0.000007956   0.000010304
 O     -0.912999     -2.130734      0.736260    0.00   0.000003787   0.000096288   0.000155736
 C     -2.972872     -1.263477     -0.922647    0.00   0.000086124   0.000020705   0.000134089
 H     -3.495994     -1.865731     -0.168014    0.00   0.000020939  -0.000003626   0.000006496
 H     -3.728785     -0.794455     -1.560859    0.00   0.000005289  -0.000002390   0.000006273
 H     -2.401337     -1.971974     -1.540766    0.00   0.000010018   0.000005549   0.000025954
 H      0.727675     -2.857650      0.857465    0.00  -0.000002934   0.000008660  -0.000005732
 O     -0.304029     -0.204255      1.526623    0.00  -0.000030361   0.000056321   0.000116124
 O      1.557887     -2.147222     -1.309626    0.00   0.000398184  -0.000347122   0.000050857
 C      2.071060     -3.008061     -0.628383    0.00   0.000273807  -0.000113304  -0.000043341
 H      2.955076     -3.612110     -0.841063    0.00   0.000030758  -0.000010574  -0.000006478
 O      1.584344     -3.355695      0.584006    0.00   0.000092904   0.000120610  -0.000126316
26
 Energy =      -0.318148517826
 C      0.227346      1.838769      0.281319    0.00  -0.000245715   0.000024436  -0.000097940
 C     -0.804030      1.934575     -0.846272    0.00  -0.000234260   0.000009373  -0.000155128
 C     -1.271719      0.562211     -1.340948    0.00  -0.000170513   0.000039035  -0.000024737
 C     -2.058776     -0.223808     -0.275372    0.00  -0.000009121   0.000012948   0.000017404
 C     -1.085763     -0.932043      0.652078    0.00  -0.000014598   0.000046141   0.000080902
 C     -0.343880      1.245159      1.562366    0.00  -0.000080403   0.000013782  -0.000071198
 H     -1.907612      0.696251     -2.239246    0.00  -0.000016191   0.000001933  -0.000003334
 H     -1.671890      2.541275     -0.521799    0.00  -0.000021097  -0.000004399  -0.000026129
 H     -0.357993      2.489446     -1.697836    0.00  -0.000032892   0.000002580  -0.000008731
 H      1.091344      1.220456     -0.050318    0.00  -0.000019636   0.000008240   0.000005399
 H      0.645255      2.843220      0.492763    0.00  -0.000030912   0.000004737  -0.000013438
 H     -2.681687      0.482953      0.330314    0.00  -0.000002700  -0.000003624  -0.000011475
 H     -1.374604      1.569838      1.778666    0.00  -0.000005032  -0.000003437  -0.000016831
 H      0.303583      1.437731      2.441642    0.00  -0.000006052   0.000002315  -0.000005625
 H     -0.402912     -0.039385     -1.690028    0.00  -0.000014474   0.000007364   0.000009852
 O     -0.917874     -2.133152      0.738750    0.00   0.000001060   0.000094562   0.000159035
 C     -2.978293     -1.261905     -0.918893    0.00   0.000078933   0.000020218   0.000125355
 H     -3.504301     -1.859343     -0.162458    0.00   0.000019843  -0.000003328   0.000006119
 H     -3.731974     -0.791289     -1.558591    0.00   0.000004723  -0.000002278   0.000005584
 H     -2.410057     -1.974908     -1.534838    0.00   0.000009071   0.000005381   0.000024586
 H      0.723970     -2.859653      0.855472    0.00  -0.000002995   0.000008230  -0.000005460
 O     -0.306658     -0.207105      1.528749    0.00  -0.000035827   0.000054665   0.000109365
 O      1.557810     -2.130161     -1.303972    0.00   0.000412889  -0.000337268   0.000067585
 C      2.070832     -2.995804     -0.628653    0.00   0.000284348  -0.000108838  -0.000039335
 H      2.956333     -3.596619     -0.844345    0.00   0.000032344  -0.000009913  -0.000006401
 O      1.581853     -3.354307      0.579588    0.00   0.000099208   0.000117144  -0.000125422
26
 Energy =      -0.318203962862
 C      0.233907      1.830108      0.277930    0.00  -0.000245319   0.000023477  -0.000097973
 C     -0.795885      1.927077     -0.851036    0.00  -0.000235256   0.000008980  -0.000153589
 C     -1.268691      0.555255     -1.342379    0.00  -0.000174110   0.000036927  -0.000026944
 C     -2.059262     -0.224667     -0.274889    0.00  -0.000013800   0.000012487   0.000013815
 C     -1.088557     -0.934281      0.653896    0.00  -0.000017758   0.000045094   0.000079463
 C     -0.341021      1.242534      1.560117    0.00  -0.000083675   0.000012514  -0.000072237
 H     -1.903509      0.689261     -2.241390    0.00  -0.000016706   0.000001782  -0.000003663
 H     -1.661555      2.538276     -0.529205    0.00  -0.000020883  -0.000004150  -0.000025436
 H     -0.346589      2.477664     -1.703665    0.00  -0.000032468   0.000002463  -0.000008973
 H      1.095551      1.207086     -0.051172    0.00  -0.000019860   0.000007957   0.000004891
 H      0.655937      2.833334      0.486896    0.00  -0.000030466   0.000004478  -0.000013373
 H     -2.679090      0.486295      0.329029    0.00  -0.000002832  -0.000003462  -0.000011427
 H     -1.370814      1.571589      1.774217    0.00  -0.000005222  -0.000003453  -0.000016557
 H      0.306101      1.435312      2.439577    0.00  -0.000006413   0.000002151  -0.000005732
 H     -0.401856     -0.050684     -1.689199    0.00  -0.000014974   0.000006789   0.000009470
 O     -0.922701     -2.135642      0.741357    0.00  -0.000001398   0.000092619   0.000162490
 C     -2.983326     -1.260520     -0.915411    0.00   0.000072124   0.000019736   0.000117234
 H     -3.512148     -1.853275     -0.157275    0.00   0.000018872  -0.000003057   0.000005757
 H     -3.734799     -0.788378     -1.556600    0.00   0.000004166  -0.000002180   0.000004908
 H     -2.418263     -1.977864     -1.529201    0.00   0.000008171   0.000005214   0.000023362
 H      0.720274     -2.861569      0.853752    0.00  -0.000003065   0.000007830  -0.000005238
 O     -0.309059     -0.209998      1.530747    0.00  -0.000040426   0.000053112   0.000104040
 O      1.556998     -2.113000     -1.298134    0.00   0.000427297  -0.000327322   0.000083136
 C      2.070173     -2.983338     -0.628912    0.00   0.000294609  -0.000104515  -0.000035951
 H      2.957160     -3.580797     -0.847841    0.00   0.000033912  -0.000009291  -0.000006362
 O      1.579353     -3.352716      0.575233    0.00   0.000105479   0.000113818  -0.000125112
26
 Energy =      -0.318259809305
 C      0.240448      1.821526      0.274598    0.00  -0.000245386   0.000022488  -0.000097906
 C     -0.787795      1.919575     -0.855713    0.00  -0.000236905   0.000008486  -0.000152667
 C     -1.265488      0.548273     -1.343803    0.00  -0.000178269   0.000034796  -0.000029219
 C     -2.059567     -0.225651     -0.274516    0.00  -0.000018298   0.000012013   0.000010316
 C     -1.091215     -0.936575      0.655692    0.00  -0.000020607   0.000044024   0.000078453
 C     -0.338064      1.239846      1.557874    0.00  -0.000086371   0.000011478  -0.000072993
 H     -1.899144      0.682166     -2.243595    0.00  -0.000017293   0.000001614  -0.000004003
 H     -1.651345      2.535093     -0.536477    0.00  -0.000020754  -0.000003926  -0.000024898
 H     -0.335362      2.465993     -1.709363    0.00  -0.000032202   0.000002337  -0.000009216
 H      1.099786      1.193944     -0.052016    0.00  -0.000020103   0.000007677   0.000004490
 H      0.666465      2.823545      0.481153    0.00  -0.000030100   0.000004226  -0.000013314
 H     -2.676433      0.489403      0.327584    0.00  -0.000002954  -0.000003306  -0.000011440
 H     -1.366919      1.573177      1.769835    0.00  -0.000005362  -0.000003442  -0.000016338
 H      0.308744      1.432811      2.437506    0.00  -0.000006693   0.000002018  -0.000005797
 H     -0.400519     -0.061882     -1.688254    0.00  -0.000015497   0.000006226   0.000009141
 O     -0.927471     -2.138186      0.744082    0.00  -0.000003644   0.000090496   0.000166143
 C     -2.987984     -1.259312     -0.912189    0.00   0.000065661   0.000019255   0.000109647
 H     -3.519565     -1.847502     -0.152445    0.00   0.000018015  -0.000002810   0.000005392
 H     -3.737264     -0.785714     -1.554886    0.00   0.000003610  -0.000002101   0.000004247
 H     -2.425970     -1.980852     -1.523827    0.00   0.000007321   0.000005053   0.000022275
 H      0.716596     -2.863397      0.852274    0.00  -0.000003129   0.000007456  -0.000005069
 O     -0.311267     -0.212917      1.532646    0.00  -0.000044232   0.000051620   0.000100026
 O      1.555485     -2.095787     -1.292154    0.00   0.000441411  -0.000317286   0.000097570
 C      2.069107     -2.970694     -0.629178    0.00   0.000304627  -0.000100326  -0.000033143
 H      2.957582     -3.564681     -0.851546    0.00   0.000035453  -0.000008701  -0.000006357
 O      1.576856     -3.350926      0.570927    0.00   0.000111701   0.000110636  -0.000125340
26
 Energy =       -0.31831616991
 C      0.246962      1.813024      0.271335    0.00  -0.000245868   0.000021467  -0.000097749
 C     -0.779745      1.912069     -0.860312    0.00  -0.000239164   0.000007902  -0.000152288
 C     -1.262107      0.541259     -1.345218    0.00  -0.000182909   0.000032651  -0.000031575
 C     -2.059697     -0.226752     -0.274249    0.00  -0.000022657   0.000011507   0.000006922
 C     -1.093749     -0.938910      0.657479    0.00  -0.000023187   0.000042929   0.000077825
 C     -0.335037      1.237116      1.555650    0.00  -0.000088575   0.000010631  -0.000073487
 H     -1.894513      0.674959     -2.245862    0.00  -0.000017937   0.000001431  -0.000004353
 H     -1.641249      2.531740     -0.543639    0.00  -0.000020705  -0.000003717  -0.000024501
 H     -0.324277      2.454420     -1.714937    0.00  -0.000032071   0.000002198  -0.000009449
 H      1.104048      1.181016     -0.052822    0.00  -0.000020363   0.000007409   0.000004186
 H      0.676838      2.813854      0.475539    0.00  -0.000029811   0.000003982  -0.000013260
 H     -2.673722      0.492298      0.325980    0.00  -0.000003078  -0.000003156  -0.000011509
 H     -1.362957      1.574627      1.765507    0.00  -0.000005471  -0.000003404  -0.000016165
 H      0.311464      1.430258      2.435449    0.00  -0.000006885   0.000001908  -0.000005823
 H     -0.398900     -0.072996     -1.687188    0.00  -0.000016041   0.000005675   0.000008874
 O     -0.932177     -2.140771      0.746925    0.00  -0.000005646   0.000088198   0.000169995
 C     -2.992282     -1.258273     -0.909214    0.00   0.000059503   0.000018778   0.000102533
 H     -3.526575     -1.842004     -0.147952    0.00   0.000017256  -0.000002588   0.000005030
 H     -3.739382     -0.783288     -1.553443    0.00   0.000003055  -0.000002035   0.000003595
 H     -2.433197     -1.983877     -1.518697    0.00   0.000006512   0.000004886   0.000021306
 H      0.712953     -2.865138      0.851011    0.00  -0.000003198   0.000007111  -0.000004945
 O     -0.313316     -0.215845      1.534473    0.00  -0.000047252   0.000050212   0.000097204
 O      1.553308     -2.078564     -1.286073    0.00   0.000455195  -0.000307180   0.000110965
 C      2.067662     -2.957900     -0.629464    0.00   0.000314413  -0.000096251  -0.000030847
 H      2.957627     -3.548297     -0.855454    0.00   0.000036965  -0.000008150  -0.000006387
 O      1.574375     -3.348942      0.566661    0.00   0.000117919   0.000107607  -0.000126098
26
 Energy =      -0.318373139559
 C      0.253448      1.804601      0.268148    0.00  -0.000246741   0.000020409  -0.000097486
 C     -0.771722      1.904555     -0.864838    0.00  -0.000241958   0.000007249  -0.000152367
 C     -1.258545      0.534212     -1.346624    0.00  -0.000187958   0.000030490  -0.000033961
 C     -2.059661     -0.227960     -0.274081    0.00  -0.000026856   0.000011002   0.000003597
 C     -1.096168     -0.941278      0.659266    0.00  -0.000025494   0.000041824   0.000077559
 C     -0.331968      1.234361      1.553450    0.00  -0.000090320   0.000009950  -0.000073758
 H     -1.889613      0.667636     -2.248191    0.00  -0.000018640   0.000001233  -0.000004708
 H     -1.631251      2.528230     -0.550719    0.00  -0.000020729  -0.000003526  -0.000024226
 H     -0.313301      2.442927     -1.720395    0.00  -0.000032068   0.000002042  -0.000009678
 H      1.108332      1.168288     -0.053564    0.00  -0.000020633   0.000007153   0.000003968
 H      0.687065      2.804259      0.470055    0.00  -0.000029597   0.000003755  -0.000013213
 H     -2.670959      0.495000      0.324219    0.00  -0.000003199  -0.000003016  -0.000011627
 H     -1.358959      1.575962      1.761220    0.00  -0.000005543  -0.000003347  -0.000016045
 H      0.314220      1.427678      2.433421    0.00  -0.000007008   0.000001822  -0.000005808
 H     -0.397002     -0.084037     -1.685996    0.00  -0.000016587   0.000005142   0.000008659
 O     -0.936816     -2.143381      0.749887    0.00  -0.000007432   0.000085733   0.000174032
 C     -2.996238     -1.257395     -0.906470    0.00   0.000053605   0.000018303   0.000095836
 H     -3.533209     -1.836760     -0.143774    0.00   0.000016584  -0.000002381   0.000004662
 H     -3.741155     -0.781091     -1.552265    0.00   0.000002500  -0.000001985   0.000002950
 H     -2.439965     -1.986946     -1.513783    0.00   0.000005745   0.000004715   0.000020445
 H      0.709355     -2.866794      0.849932    0.00  -0.000003256   0.000006794  -0.000004862
 O     -0.315236     -0.218766      1.536254    0.00  -0.000049558   0.000048844   0.000095461
 O      1.550505     -2.061365     -1.279927    0.00   0.000468635  -0.000297013   0.000123361
 C      2.065863     -2.944979     -0.629786    0.00   0.000323952  -0.000092289  -0.000028998
 H      2.957319     -3.531677     -0.859556    0.00   0.000038439  -0.000007633  -0.000006441
 O      1.571922     -3.346767      0.562424    0.00   0.000124117   0.000104730  -0.000127353
26
 Energy =      -0.318430795575
 C      0.259903      1.796251      0.265044    0.00  -0.000247961   0.000019333  -0.000097140
 C     -0.763715      1.897031     -0.869297    0.00  -0.000245219   0.000006512  -0.000152839
 C     -1.254805      0.527127     -1.348019    0.00  -0.000193321   0.000028332  -0.000036359
 C     -2.059467     -0.229267     -0.274006    0.00  -0.000030927   0.000010468   0.000000387
 C     -1.098483     -0.943667      0.661061    0.00  -0.000027526   0.000040719   0.000077584
 C     -0.328883      1.231595      1.551280    0.00  -0.000091637   0.000009409  -0.000073838
 H     -1.884442      0.660194     -2.250578    0.00  -0.000019381   0.000001023  -0.000005064
 H     -1.621338      2.524575     -0.557736    0.00  -0.000020819  -0.000003353  -0.000024060
 H     -0.302406      2.431501     -1.725744    0.00  -0.000032171   0.000001882  -0.000009898
 H      1.112634      1.155744     -0.054218    0.00  -0.000020912   0.000006905   0.000003835
 H      0.697151      2.794756      0.464704    0.00  -0.000029453   0.000003539  -0.000013163
 H     -2.668149      0.497525      0.322298    0.00  -0.000003322  -0.000002871  -0.000011791
 H     -1.354950      1.577203      1.756963    0.00  -0.000005584  -0.000003272  -0.000015965
 H      0.316976      1.425093      2.431436    0.00  -0.000007069   0.000001758  -0.000005764
 H     -0.394829     -0.095017     -1.684677    0.00  -0.000017130   0.000004628   0.000008495
 O     -0.941388     -2.146008      0.752966    0.00  -0.000009008   0.000083127   0.000178236
 C     -2.999865     -1.256669     -0.903946    0.00   0.000047939   0.000017835   0.000089500
 H     -3.539494     -1.831748     -0.139897    0.00   0.000015991  -0.000002195   0.000004294
 H     -3.742596     -0.779113     -1.551347    0.00   0.000001942  -0.000001943   0.000002312
 H     -2.446292     -1.990061     -1.509066    0.00   0.000005015   0.000004538   0.000019679
 H      0.705807     -2.868366      0.849010    0.00  -0.000003302   0.000006506  -0.000004820
 O     -0.317054     -0.221667      1.538011    0.00  -0.000051201   0.000047515   0.000094696
 O      1.547116     -2.044222     -1.273747    0.00   0.000481651  -0.000286812   0.000134802
 C      2.063737     -2.931953     -0.630154    0.00   0.000333239  -0.000088434  -0.000027553
 H      2.956685     -3.514842     -0.863844    0.00   0.000039868  -0.000007152  -0.000006518
 O      1.569502     -3.344409      0.558205    0.00   0.000130298   0.000102003  -0.000129048
26
 Energy =      -0.318489197274
 C      0.266326      1.787974      0.262028    0.00  -0.000249503   0.000018239  -0.000096709
 C     -0.755712      1.889496     -0.873696    0.00  -0.000248860   0.000005724  -0.000153628
 C     -1.250888      0.520002     -1.349402    0.00  -0.000198888   0.000026184  -0.000038716
 C     -2.059124     -0.230665     -0.274021    0.00  -0.000034824   0.000009966  -0.000002747
 C     -1.100705     -0.946068      0.662871    0.00  -0.000029304   0.000039578   0.000077896
 C     -0.325799      1.228831      1.549148    0.00  -0.000092584   0.000009000  -0.000073734
 H     -1.879006      0.652631     -2.253023    0.00  -0.000020152   0.000000800  -0.000005419
 H     -1.611494      2.520787     -0.564709    0.00  -0.000020967  -0.000003200  -0.000023985
 H     -0.291565      2.420127     -1.730990    0.00  -0.000032367   0.000001713  -0.000010109
 H      1.116950      1.143364     -0.054770    0.00  -0.000021198   0.000006673   0.000003779
 H      0.707107      2.785339      0.459483    0.00  -0.000029374   0.000003336  -0.000013118
 H     -2.665296      0.499890      0.320222    0.00  -0.000003445  -0.000002732  -0.000011988
 H     -1.350950      1.578371      1.752724    0.00  -0.000005606  -0.000003188  -0.000015924
 H      0.319704      1.422524      2.429505    0.00  -0.000007069   0.000001709  -0.000005694
 H     -0.392392     -0.105947     -1.683228    0.00  -0.000017653   0.000004141   0.000008372
 O     -0.945889     -2.148637      0.756164    0.00  -0.000010380   0.000080393   0.000182551
 C     -3.003184     -1.256088     -0.901627    0.00   0.000042487   0.000017362   0.000083497
 H     -3.545455     -1.826947     -0.136300    0.00   0.000015466  -0.000002023   0.000003916
 H     -3.743718     -0.777347     -1.550684    0.00   0.000001378  -0.000001912   0.000001685
 H     -2.452200     -1.993230     -1.504523    0.00   0.000004321   0.000004359   0.000018999
 H      0.702317     -2.869855      0.848218    0.00  -0.000003337   0.000006240  -0.000004815
 O     -0.318798     -0.224538      1.539762    0.00  -0.000052223   0.000046229   0.000094779
 O      1.543181     -2.027159     -1.267563    0.00   0.000494169  -0.000276619   0.000145311
 C      2.061310     -2.918843     -0.630577    0.00   0.000342216  -0.000084688  -0.000026454
 H      2.955750     -3.497819     -0.868306    0.00   0.000041240  -0.000006706  -0.000006612
 O      1.567122     -3.341873      0.553995    0.00   0.000136458   0.000099420  -0.000131134
26
 Energy =      -0.318548384688
 C      0.272720      1.779760      0.259100    0.00  -0.000251309   0.000017146  -0.000096191
 C     -0.747706      1.881946     -0.878039    0.00  -0.000252789   0.000004863  -0.000154639
 C     -1.246802      0.512838     -1.350771    0.00  -0.000204537   0.000024083  -0.000041028
 C     -2.058641     -0.232145     -0.274116    0.00  -0.000038576   0.000009450  -0.000005752
 C     -1.102843     -0.948473      0.664705    0.00  -0.000030833   0.000038455   0.000078431
 C     -0.322734      1.226082      1.547055    0.00  -0.000093197   0.000008674  -0.000073496
 H     -1.873316      0.644952     -2.255520    0.00  -0.000020923   0.000000573  -0.000005762
 H     -1.601707      2.516877     -0.571649    0.00  -0.000021165  -0.000003065  -0.000023987
 H     -0.280755      2.408790     -1.736139    0.00  -0.000032635   0.000001537  -0.000010306
 H      1.121276      1.131128     -0.055205    0.00  -0.000021482   0.000006462   0.000003790
 H      0.716945      2.775999      0.454389    0.00  -0.000029366   0.000003153  -0.000013074
 H     -2.662405      0.502111      0.317995    0.00  -0.000003572  -0.000002592  -0.000012209
 H     -1.346980      1.579483      1.748494    0.00  -0.000005603  -0.000003094  -0.000015923
 H      0.322379      1.419987      2.427634    0.00  -0.000007025   0.000001677  -0.000005602
 H     -0.389705     -0.116835     -1.681652    0.00  -0.000018150   0.000003687   0.000008286
 O     -0.950321     -2.151262      0.759478    0.00  -0.000011529   0.000077562   0.000186911
 C     -3.006208     -1.255643     -0.899500    0.00   0.000037236   0.000016903   0.000077801
 H     -3.551115     -1.822339     -0.132968    0.00   0.000014998  -0.000001866   0.000003541
 H     -3.744530     -0.775783     -1.550265    0.00   0.000000813  -0.000001886   0.000001065
 H     -2.457710     -1.996454     -1.500135    0.00   0.000003660   0.000004171   0.000018394
 H      0.698889     -2.871263      0.847530    0.00  -0.000003352   0.000006001  -0.000004840
 O     -0.320488     -0.227367      1.541526    0.00  -0.000052662   0.000044974   0.000095620
 O      1.538741     -2.010196     -1.261398    0.00   0.000506046  -0.000266500   0.000154898
 C      2.058605     -2.905664     -0.631064    0.00   0.000350833  -0.000081045  -0.000025655
 H      2.954538     -3.480629     -0.872930    0.00   0.000042546  -0.000006290  -0.000006718
 O      1.564785     -3.339164      0.549785    0.00   0.000142573   0.000096968  -0.000133554
26
 Energy =      -0.318608376645
 C      0.279085      1.771602      0.256264    0.00  -0.000253351   0.000016067  -0.000095605
 C     -0.739688      1.874379     -0.882329    0.00  -0.000256901   0.000003954  -0.000155805
 C     -1.242558      0.505635     -1.352126    0.00  -0.000210111   0.000022058  -0.000043216
 C     -2.058027     -0.233699     -0.274289    0.00  -0.000042138   0.000008948  -0.000008633
 C     -1.104909     -0.950875      0.666566    0.00  -0.000032121   0.000037316   0.000079140
 C     -0.319697      1.223354      1.545004    0.00  -0.000093525   0.000008426  -0.000073130
 H     -1.867387      0.637163     -2.258062    0.00  -0.000021679   0.000000346  -0.000006085
 H     -1.591961      2.512858     -0.578570    0.00  -0.000021401  -0.000002955  -0.000024049
 H     -0.269958      2.397479     -1.741196    0.00  -0.000032959   0.000001362  -0.000010484
 H      1.125605      1.119014     -0.055516    0.00  -0.000021766   0.000006277   0.000003861
 H      0.726682      2.766723      0.449418    0.00  -0.000029417   0.000002986  -0.000013029
 H     -2.659482      0.504200      0.315622    0.00  -0.000003696  -0.000002450  -0.000012448
 H     -1.343047      1.580558      1.744266    0.00  -0.000005590  -0.000002998  -0.000015951
 H      0.324983      1.417495      2.425831    0.00  -0.000006938   0.000001656  -0.000005497
 H     -0.386785     -0.127687     -1.679958    0.00  -0.000018601   0.000003272   0.000008226
 O     -0.954688     -2.153873      0.762905    0.00  -0.000012464   0.000074659   0.000191251
 C     -3.008959     -1.255326     -0.897554    0.00   0.000032185   0.000016455   0.000072397
 H     -3.556502     -1.817907     -0.129882    0.00   0.000014579  -0.000001718   0.000003161
 H     -3.745046     -0.774415     -1.550082    0.00   0.000000251  -0.000001871   0.000000461
 H     -2.462844     -1.999735     -1.495884    0.00   0.000003034   0.000003980   0.000017854
 H      0.695526     -2.872588      0.846923    0.00  -0.000003353   0.000005781  -0.000004894
 O     -0.322147     -0.230149      1.543315    0.00  -0.000052558   0.000043770   0.000097099
 O      1.533839     -1.993348     -1.255272    0.00   0.000517144  -0.000256518   0.000163548
 C      2.055648     -2.892432     -0.631618    0.00   0.000358976  -0.000077541  -0.000025103
 H      2.953072     -3.463292     -0.877703    0.00   0.000043770  -0.000005909  -0.000006831
 O      1.562494     -3.336289      0.545567    0.00   0.000148629   0.000094648  -0.000136239

