 48
*****   Energy =     -681.1925945898  kJ/mol
O    0.2746057   2.2812939   0.9417199
H   -0.2795834   3.0441116   0.7767482
H   -0.1728992   1.5595312   0.5000978
O    1.5743147  -0.1500665   3.9071612
H    1.0328721  -0.8753938   3.5957576
H    2.3630672  -0.5696562   4.2507395
O    4.5890790  -1.1628182   1.7395882
H    4.0619881  -0.3866938   1.5497512
H    4.4925365  -1.2936359   2.6828794
O    2.4769008   0.6497834   1.4648920
H    2.2080766   0.4632489   2.3644310
H    1.9374913   1.3959095   1.2030424
O    0.1076248  -2.1185146   2.7230935
H    0.4192688  -1.9651851   1.8311293
H   -0.7792791  -1.7585944   2.7326274
O   -3.1586415   1.9572445  -0.3850512
H   -2.5110361   1.2640639  -0.5128791
H   -3.6968901   1.6511686   0.3449063
O   -4.2898871   1.2003337   2.0410001
H   -5.1901081   1.2369772   2.3642514
H   -3.8526560   1.9392016   2.4642438
O    3.2851230  -3.2447976   0.6349663
H    3.8372484  -2.5359764   0.9650602
H    3.8625946  -3.7537086   0.0659599
O    3.8092972  -1.7211682   4.3508219
H    4.2993714  -2.0400944   5.1086777
H    3.3317238  -2.4878014   4.0339163
O   -2.8033899   3.2015224   3.0611466
H   -2.0268812   2.7903618   3.4409009
H   -2.4755622   3.6707710   2.2939656
O    1.1935994  -1.4608749   0.3132658
H    1.8441278  -2.1573872   0.2242970
H    1.6933068  -0.7031837   0.6172864
O   -2.0511596  -0.3681906   2.4747882
H   -1.5619197   0.3212083   2.9237933
H   -2.9362511  -0.0149060   2.3851506
O   -1.8131722   4.0677945   0.6101474
H   -1.9804971   4.8589882   0.0980469
H   -2.3249556   3.3867389   0.1737153
O    2.3643124  -3.6937856   3.2212518
H    1.4672891  -3.3655690   3.1591624
H    2.6712760  -3.7261407   2.3151842
O   -1.0798502   0.1216640  -0.0223505
H   -1.4684498  -0.1442720   0.8110164
H   -0.3826763  -0.5158812  -0.1763528
O   -0.5133155   1.6492293   3.4713001
H    0.2158240   1.1807282   3.8776181
H   -0.1675356   1.9483702   2.6303583
