 42
*****   Energy =     -582.9911036211  kJ/mol
O   -4.6275143   1.6306388  -2.9999738
H   -5.4274754   1.9591005  -3.4103481
H   -4.7428402   0.6807215  -2.9757019
O    2.0998189  -2.0823184  -2.1201460
H    1.8633593  -2.1067262  -3.0473585
H    3.0543126  -2.1539787  -2.1139277
O    0.1400555  -0.2682344  -1.4078643
H   -0.5229673  -0.9019750  -1.1339929
H    0.9335335  -0.7892044  -1.5312130
O   -2.0124157   2.1756310  -3.7265910
H   -1.6519857   2.3473587  -2.8566302
H   -2.9482217   2.0415984  -3.5764765
O   -4.0743031  -1.0407425  -0.0143228
H   -3.8999748  -0.1016057  -0.0764815
H   -4.6382296  -1.1298146   0.7539774
O    0.1963138  -4.0467444  -1.6082616
H   -0.4890722  -3.5305475  -1.1839753
H    0.9465955  -3.4544542  -1.6582785
O   -0.6682812  -4.2119564  -4.1556876
H   -0.3607587  -4.2675686  -3.2509394
H   -0.7032777  -5.1209536  -4.4535659
O   -1.7618783  -2.1673140  -0.9919847
H   -2.0638593  -2.2254450  -1.8984395
H   -2.5268042  -1.8636443  -0.5032055
O   -0.6926947  -0.1821317  -4.0098663
H   -1.1362676   0.6598986  -4.1121405
H   -0.3476268  -0.1647404  -3.1171974
O   -0.9994862   2.2142436  -1.1273865
H   -0.3816924   2.8334745  -0.7386502
H   -0.5242097   1.3836995  -1.1506414
O   -4.8371449  -1.0380929  -2.6961008
H   -4.1320340  -1.5243305  -3.1234456
H   -4.6805185  -1.1613531  -1.7598812
O   -3.6041588   1.5777490  -0.4303179
H   -2.6994973   1.8589859  -0.5671584
H   -4.0330977   1.7311011  -1.2721769
O    1.1535984  -2.1641203  -4.6361654
H    0.5749052  -1.4023292  -4.6681110
H    0.5614528  -2.9160587  -4.6497351
O   -2.4803800  -2.1920527  -3.6078231
H   -2.0081404  -2.9626071  -3.9232080
H   -1.9346501  -1.4513588  -3.8719887
