16
   Energy =    -372.1242021      kJ/mol
O   -0.6965303   1.3231557  -0.0830914
H   -1.1263890   1.0068709   0.7112867
H    0.2367383   1.1867632   0.0789522
O   -2.6492235   0.3535878   1.8956083
H   -2.4964622  -0.4472614   2.3967626
H   -2.9322554   0.9941164   2.5478870
O   -2.5737863   2.8797897  -3.3340048
H   -2.8647175   3.7483391  -3.0568184
H   -2.4518992   2.9584858  -4.2799444
O   -4.1852836   0.3242179  -0.6159618
H   -3.8930189   0.2147000   0.2887141
H   -4.9148357  -0.2882800  -0.7078930
O   -2.2024661   0.8608276  -1.9802501
H   -3.0332972   0.5771282  -1.5543158
H   -2.3420146   1.6472422  -2.5408425
H   -1.5006914   1.0159580  -1.3202255
16
   Energy =    -364.0851827      kJ/mol
O   -0.0783224   0.0609456   5.3943642
H   -0.5577632   0.3939236   6.1527266
H    0.3364363  -0.7428067   5.7071082
O   -5.2554376   0.7963702   2.8409148
H   -5.6684435   0.3968535   2.0756281
H   -5.9508828   0.8317771   3.4973853
O    1.2330158   1.8630173   2.0844992
H    1.9480662   2.2932515   2.5529571
H    1.5425761   1.7990802   1.1812076
O   -2.6457598   1.9092073   2.9990642
H   -3.5321634   1.5546222   2.9326619
H   -2.7254151   2.8123823   2.6928268
O   -0.6236963   0.5559780   3.0415094
H    0.1262171   1.0353447   2.6414806
H   -0.4337152   0.3087208   3.9661481
H   -1.4498051   1.0710367   2.9748428
16
   Energy =    -360.8485616      kJ/mol
O   -0.1227443   1.3409590  -2.1979377
H   -0.4501682   2.2398982  -2.1744182
H   -0.1462772   1.1015315  -3.1242054
O    2.8953438   3.3814554  -0.4018767
H    2.2429098   4.0606589  -0.5717703
H    3.6852078   3.6919567  -0.8440929
O    0.1295577   1.6124748   1.6625447
H    0.5484488   1.7517763   2.5116481
H   -0.5760541   0.9915122   1.8424577
O   -0.0877016   3.8936555  -0.5640129
H   -0.5600000   4.7143486  -0.7027516
H   -0.3882613   3.5857854   0.2908152
O    1.5427287   1.3165059  -0.3758890
H    0.9484263   1.2719212  -1.1485484
H    2.1456778   2.0813699  -0.4360653
H    1.0381826   1.3276620   0.4592723
16
   Energy =    -333.5473106      kJ/mol
O    5.7500218   2.2833626   1.5735269
H    5.8900917   1.9867591   2.4725586
H    6.5090495   2.8337884   1.3817989
O    3.0773196   3.0934681   0.7480327
H    2.8819582   3.9218072   1.1856850
H    3.9592683   2.8684545   1.0436451
O    3.4840743   0.8779058  -2.5307334
H    4.2089033   0.5861583  -1.9781417
H    3.8656748   0.9563120  -3.4048528
O    5.2844657   0.2044554  -0.4850352
H    5.5631937   0.7902868   0.2185012
H    5.7612305  -0.6092209  -0.3223163
O    1.9490092   2.2371481  -1.2307053
H    2.5760914   1.7554340  -1.8024614
H    1.2152522   1.6608692  -0.9448926
H    2.4030407   2.6386335  -0.4659501
16
   Energy =    -331.2410112      kJ/mol
O   -3.3433788  -0.0869813  -5.4302372
H   -3.5841931   0.0691286  -6.3431936
H   -3.7813191  -0.9072168  -5.2038012
O   -1.8619122   3.6615746  -2.3542582
H   -2.2091699   3.5348830  -1.4715280
H   -2.4179541   4.3409090  -2.7352746
O   -1.3288699   1.1768781  -3.8756692
H   -2.0058621   0.7658741  -4.4128922
H   -1.7759800   1.9025883  -3.4405963
O    1.0585425   3.6974842  -2.6030478
H    0.1463707   3.9279169  -2.4278487
H    1.5201959   4.5357364  -2.6108351
O    1.0265173   1.6932706  -4.0107255
H    0.0847856   1.4454704  -4.0733533
H    1.1404048   2.5351884  -3.5307363
H    1.5546304   0.9798441  -3.6053801
16
   Energy =    -328.6796051      kJ/mol
O    6.0551607   0.6739154  -1.3703297
H    5.9189352   1.6163543  -1.2749204
H    7.0063412   0.5696228  -1.3854900
O    1.2624050  -0.8440127  -0.8783926
H    2.2104882  -0.8786066  -0.7527233
H    0.9755007  -0.1093270  -0.3363832
O    4.0871930  -1.3843253  -1.1461277
H    4.4308992  -2.0390699  -0.5386519
H    4.7576340  -0.7017464  -1.1672491
O    3.1431321  -2.3274138  -3.7175979
H    3.7118017  -2.2226079  -4.4801475
H    3.6819656  -2.0500696  -2.9769294
O    0.8682581  -1.6246254  -3.1610850
H    1.7493769  -1.8634396  -3.5057343
H    0.2680518  -2.3939967  -3.1586961
H    0.9315976  -1.2216465  -2.2746417
16
   Energy =    -328.6026657      kJ/mol
O   -0.8453806  -4.4310240   1.7031807
H   -1.3604266  -4.2587061   0.9152179
H   -0.3173443  -5.1977276   1.4813823
O    0.6652885  -2.3713685   3.0692680
H    0.9697333  -1.6162075   2.5663798
H    0.2888181  -2.9592068   2.4146173
O    0.7845883  -6.7115640   1.1688820
H    1.6370232  -6.7279980   0.7342144
H    0.5406348  -7.6331312   1.2528574
O   -2.0268212  -4.5939150   4.3429086
H   -1.8238235  -4.7033573   3.4141107
H   -2.9460600  -4.8490020   4.4189476
O   -0.6937324  -2.6803220   5.0787576
H   -1.3255443  -3.3897777   4.8558856
H   -0.1282842  -2.9331435   5.8327704
H   -0.1582516  -2.4260864   4.3036381
16
   Energy =    -325.3451783      kJ/mol
O    0.8185014  -2.7587220  -0.0738828
H    1.7657260  -2.8821498  -0.1320406
H    0.5560830  -3.2740412   0.6886354
O    3.6261229  -3.0422161  -0.3260835
H    4.3008378  -2.4956250   0.0762215
H    4.1107865  -3.7587280  -0.7354283
O   -2.9053975  -2.5217921  -1.4133888
H   -3.3722949  -3.2765834  -1.7713667
H   -3.5966567  -1.9401040  -1.0977132
O   -4.8367106  -0.6889468  -0.4496747
H   -5.4442962  -0.1550233  -0.9611595
H   -5.1661117  -0.6341169   0.4471752
O   -0.5969439  -1.9489308  -1.8599924
H   -0.0188525  -2.3337096  -1.1744699
H   -1.5275016  -2.2106818  -1.7268216
H   -0.5037034  -0.9783586  -1.8984820
16
   Energy =    -321.8139690      kJ/mol
O    2.3141167  -3.1341399   3.1536672
H    3.0235308  -3.5686631   3.6267133
H    1.5665995  -3.1780567   3.7496039
O    3.2476829   1.0812094   1.2492425
H    4.1378697   1.4304438   1.2111092
H    2.7527983   1.7392971   1.7369526
O    2.5103791  -1.6175636   0.7531701
H    2.4504900  -2.0908721   1.5827746
H    2.7687680  -0.7302399   1.0016520
O    2.5192089  -3.9709354  -2.4245889
H    3.3819272  -4.3093983  -2.1858186
H    2.1307286  -4.6618987  -2.9607829
O    1.3329427  -2.1716363  -1.2591493
H    1.3169393  -1.3937040  -1.8480048
H    1.7687079  -2.9320781  -1.6881279
H    1.7511134  -1.9598886  -0.4032978
