 54
*****   Energy =     -773.2318693143  kJ/mol
O    1.2526732  -2.4156355  -2.7263019
H    1.7651097  -2.1815289  -3.5001461
H    1.9062903  -2.6515259  -2.0679916
O    1.7629228  -1.3394050   2.3216245
H    2.2141389  -0.7742139   1.6945718
H    1.9165096  -2.2271611   1.9983100
O    2.7593488   1.0724576  -3.5011993
H    1.9905290   0.9768225  -2.9390587
H    3.4946508   1.1421428  -2.8923422
O    4.8213080   0.7368866  -1.6616800
H    4.9907311  -0.1326671  -2.0241771
H    5.6855433   1.1437324  -1.5999884
O   -1.5669217  -0.5126888  -0.6401482
H   -1.4766652  -0.6796607   0.2980448
H   -1.6173846  -1.3831646  -1.0350628
O   -1.2491563  -3.0543102  -1.7856446
H   -1.7950040  -3.4038900  -2.4899714
H   -0.3973847  -2.9023142  -2.1950518
O    3.1613941  -2.7067146  -0.8067581
H    3.1092815  -1.8240257  -0.4401838
H    2.8955160  -3.2809242  -0.0885491
O   -0.7104669  -3.8057433   0.8157010
H   -0.9547622  -3.7074243  -0.1045627
H   -0.8591953  -2.9405598   1.1972366
O    1.2250658  -2.4091093   4.8375048
H    1.5204447  -1.8573527   4.1132480
H    0.2731036  -2.3092360   4.8425197
O    0.8436559   0.0970423  -1.7382632
H   -0.0361767   0.0868982  -1.3614028
H    0.9443817  -0.7677947  -2.1359354
O    4.9785027  -1.7498197  -2.6877546
H    4.3954747  -1.7292040  -3.4466257
H    4.5116464  -2.2786328  -2.0407353
O    2.9927636  -1.3706040  -4.6009126
H    3.0875608  -1.3090983  -5.5514191
H    2.9032509  -0.4632622  -4.3094502
O   -0.9398271  -1.3511582   1.9404880
H   -0.0058528  -1.1951889   2.0804796
H   -1.2794210  -1.5694298   2.8083967
O   -1.0992431  -4.8812206   3.3577875
H   -0.1868287  -5.0694763   3.5775412
H   -1.0898659  -4.7160858   2.4149860
O    1.6245391  -4.9098375   3.9262383
H    1.5465842  -4.0476012   4.3345319
H    2.1305095  -5.4271997   4.5527863
O    1.9523585  -3.8957028   1.3760440
H    1.0391224  -3.9674542   1.0984047
H    1.9903927  -4.3768271   2.2026665
O    2.8566957  -0.1471912   0.0750421
H    3.5927828   0.2802969  -0.3627497
H    2.1002411   0.0536210  -0.4760322
O   -1.5243848  -2.4392006   4.4145447
H   -2.2679458  -2.4441631   5.0173087
H   -1.4664709  -3.3404977   4.0974621
