 57
*****   Energy =     -821.0369191145  kJ/mol
O   -0.2049209   2.8273494   1.7958763
H   -0.5270793   2.0141815   2.1847258
H   -0.0681980   2.6142554   0.8727675
O   -1.1972042   0.0668088  -1.7991029
H   -0.6748327   0.7997853  -1.4733644
H   -1.9257705   0.4789627  -2.2633791
O    2.0261653   0.3578928   2.9358159
H    2.1920280   1.2998261   2.9743272
H    1.0778989   0.2768144   3.0380367
O    2.7929712   0.7888033  -3.1725373
H    2.7249830   1.6754255  -2.8182624
H    3.4221120   0.3493568  -2.6004353
O    1.0283907  -2.7339592   0.2576571
H    1.7743272  -3.0636432   0.7587750
H    1.1673735  -3.0690977  -0.6281183
O    0.4480633   1.9033740  -0.6932624
H    0.9754531   1.1762334  -0.3625681
H    1.0705732   2.4557349  -1.1661375
O    4.3128043  -1.1482216   2.5815416
H    4.8229527  -0.5141394   2.0776364
H    3.5493362  -0.6561911   2.8836251
O    1.9277085  -0.1579013   0.2611581
H    1.5604541  -1.0408788   0.2198425
H    2.0260731   0.0175582   1.1969841
O    3.9359007   2.9298799   0.4807163
H    4.5342465   2.2083003   0.6744611
H    3.4131889   3.0284610   1.2765090
O    4.2316520  -3.1090518  -1.2168860
H    4.0373339  -3.3082091  -0.3010209
H    3.4198252  -3.3082165  -1.6832577
O    3.4374340  -3.4220148   1.4200598
H    3.7258467  -4.1379776   1.9861405
H    3.7750150  -2.6317827   1.8417281
O    2.3047767   3.0794445   2.7085693
H    2.3465496   3.7852755   3.3537744
H    1.4039721   3.1024520   2.3856859
O    4.2218531  -0.4089863  -1.1630677
H    4.3328485  -1.3544308  -1.2633012
H    3.4022123  -0.3136716  -0.6779532
O    5.5283261   0.6973621   0.9044054
H    5.1636954   0.2872288   0.1201432
H    6.4703951   0.7356844   0.7392709
O   -1.2551608  -1.2201518   0.6637989
H   -0.5758461  -1.8863835   0.5594014
H   -1.3423906  -0.8281436  -0.2050811
O   -0.7382917   0.3111077   2.8271480
H   -0.9482847  -0.2273161   2.0641050
H   -1.4038033   0.0793141   3.4749119
O    0.8335221  -1.1205640  -3.2550726
H    1.4866310  -0.4238786  -3.3207242
H    0.0950288  -0.7151656  -2.8006370
O    1.7074164  -3.4679628  -2.2984159
H    1.4502611  -4.1419709  -2.9275552
H    1.4233911  -2.6458209  -2.6979711
O    2.5694837   3.2180491  -1.8422017
H    2.8274339   4.0618723  -2.2132222
H    3.1004829   3.1315998  -1.0504957
