 39
*****   Energy =     -532.9705363445  kJ/mol
O    3.1970164   4.1856335  -1.8482353
H    3.2803125   3.3468966  -2.3019028
H    2.2531696   4.3329337  -1.7875062
O    0.1218714  -0.9821375  -2.0719362
H    0.3830533  -1.3634698  -1.2337228
H    0.1293035  -0.0373463  -1.9184879
O    5.1271206   0.3695266  -0.9853339
H    4.6477276  -0.4584126  -1.0158473
H    6.0466143   0.1177398  -1.0711634
O    1.1567957   3.7447415   1.3439454
H    2.0936686   3.9395161   1.3201959
H    1.1117381   2.8001108   1.4918461
O    0.4877748   4.3127488  -1.1992061
H   -0.2355890   4.9379768  -1.2446683
H    0.6465839   4.1971933  -0.2623718
O    1.3334069   0.9642919   1.1233088
H    1.1544848   1.2095221   0.2155197
H    2.2775900   1.0859019   1.2231151
O    3.2739048   1.4959822  -2.6789333
H    3.0215887   0.7258972  -3.1883819
H    3.9892366   1.1907573  -2.1209278
O    3.5783243  -1.8062359  -1.2310251
H    2.8338603  -1.8377432  -0.6301817
H    3.1863393  -1.6550883  -2.0911031
O    3.8490296   4.1609262   0.7697120
H    4.4230432   4.9040502   0.9554725
H    3.6971790   4.2050844  -0.1743344
O    0.8379668   1.6086224  -1.4685569
H    0.5736360   2.5285820  -1.4745241
H    1.6951741   1.6024581  -1.8944557
O    1.3029259  -1.6453096   0.3630383
H    1.0512087  -2.2134172   1.0911346
H    1.2926751  -0.7624840   0.7328298
O    3.9760475   1.4556759   1.2527655
H    4.0617354   2.4028047   1.1439695
H    4.4680214   1.0844963   0.5203590
O    2.3457416  -0.9815801  -3.5754900
H    2.2085114  -1.4576659  -4.3944785
H    1.4988931  -1.0197105  -3.1309388
