16
   Energy =     -359.3078127665  kJ/mol
O    0.8753346  -0.5078918   3.2775290
H    1.0012812  -0.5375794   4.2257417
H    1.5781220   0.0586435   2.9597575
O   -2.4445254  -2.4176512   1.4630473
H   -2.5673246  -2.6487864   0.5425321
H   -3.3222001  -2.4653300   1.8415509
O   -3.2050939   0.4111697   4.0636301
H   -3.9138922  -0.2187974   3.9347979
H   -3.6453102   1.2588387   4.1229427
O   -4.6546274  -1.9507664   3.2635752
H   -4.6554824  -2.6080284   3.9591737
H   -5.5641587  -1.9126582   2.9683604
O   -1.4919880  -0.1792784   2.2544006
H   -0.6131131  -0.3093804   2.6579324
H   -1.8170560  -1.0008468   1.8402246
H   -2.1323600   0.1678220   2.9037316
16
   Energy =     -357.8414726753  kJ/mol
O   -0.8557630  -2.6817900   0.7429096
H   -1.0513622  -3.4165750   1.3240148
H   -0.4075613  -2.0469211   1.3013968
O   -1.5014259  -0.4133204  -4.3779880
H   -0.6349034  -0.0284538  -4.5078639
H   -1.8776161  -0.4594961  -5.2567371
O   -3.2047912  -2.0951379  -0.8292283
H   -3.7424800  -1.3084254  -0.7407670
H   -2.5904621  -2.0494909  -0.0968572
O    0.4801043  -3.1162752  -1.7744609
H    0.2646240  -3.1492416  -0.8426172
H    0.9559032  -3.9300212  -1.9396402
O   -1.7460402  -2.5369903  -2.8923594
H   -2.3746444  -2.3803254  -2.1626344
H   -1.6405375  -1.7407525  -3.4464894
H   -0.8855006  -2.8523873  -2.5574238
16
   Energy =     -355.5876732119  kJ/mol
O   -0.4531944   1.1121450   2.0468906
H   -0.6532898   2.0041570   1.7638221
H   -0.6382485   1.1111753   2.9858290
O   -1.0980321   0.1411585   4.6879629
H   -1.7666305   0.5688806   5.2226417
H   -0.3305308   0.0920735   5.2575097
O   -0.1877038  -2.3084234  -0.5006765
H   -0.5996576  -2.7671020  -1.2326323
H    0.5834097  -2.8349854  -0.2909917
O   -2.2750682  -2.1274185   3.3520802
H   -1.8248356  -1.6319868   4.0359583
H   -2.0875179  -3.0433524   3.5563872
O   -1.6778595  -0.9421030   1.1481353
H   -1.2640006  -0.0950598   1.3999771
H   -1.0877541  -1.4689800   0.5768544
H   -1.9551774  -1.4488411   1.9345810
16
   Energy =     -353.2495368696  kJ/mol
O    2.7576902   2.2075965   1.5657172
H    3.4705601   1.8141517   2.0685780
H    2.3368144   1.4683252   1.1273192
O    1.7587069   4.0406270   5.2233420
H    1.0925258   3.6381690   5.7801917
H    1.9092966   4.9014916   5.6133243
O   -0.1122056   2.6986100   6.6954162
H   -0.9721922   3.0195839   6.9660638
H    0.1785951   2.1489741   7.4228683
O    1.4520957   6.2971224   1.6656579
H    2.1731937   6.4725846   1.0614378
H    0.6808475   6.6602032   1.2306870
O    1.2259411   3.9420529   2.7565970
H    1.3153397   4.8187361   2.3375264
H    1.7929616   3.2799874   2.3180282
H    1.4084429   3.9865672   3.7141445
16
   Energy =     -336.6497859098  kJ/mol
O    5.8934218   0.6432462  -1.2889278
H    6.0274037   1.2403181  -0.5531254
H    6.7557137   0.5683106  -1.6972030
O    1.3674999  -0.7143751  -0.8401227
H    2.3228174  -0.7403171  -0.7896574
H    1.1380252   0.1794753  -0.5866981
O    4.0330352  -1.3667183  -1.2926226
H    4.3459698  -2.0453435  -0.6948007
H    4.7080927  -0.6891181  -1.2608950
O    3.2097222  -2.4141830  -3.7340074
H    3.6527766  -2.1408712  -4.5370359
H    3.7482845  -2.0555874  -3.0288754
O    0.9050735  -1.6611693  -3.1109019
H    1.7748545  -1.9068189  -3.4787645
H    0.3245402  -2.4405187  -3.0226908
H    0.9995319  -1.1914332  -2.2608365
16
   Energy =     -335.3628842019  kJ/mol
O    2.7046675   2.3328336   3.2931980
H    2.2969868   2.8228096   2.5793555
H    2.6334101   1.4164861   3.0265878
O    1.2235194   4.4305068   1.8848214
H    0.6706959   4.2216101   1.1320934
H    1.8121202   5.1151669   1.5675816
O    2.4688075  -0.1961550   2.2695359
H    3.2544906  -0.5974936   1.8987520
H    1.9761809  -0.9290896   2.6382867
O    0.1914967   5.0473705   4.4631891
H    0.2792413   5.0032135   3.5112425
H   -0.7474456   5.1562467   4.6128041
O    1.5319410   3.0839815   5.3212477
H    0.9218612   3.7991431   5.0594614
H    1.9731124   2.6921215   4.5440739
H    2.1824087   3.3957165   5.9784377
