13
   Energy =    -314.9694834      kJ/mol
O   -1.9961676   1.1096993  -4.6861699
H   -1.8451501   2.0072764  -4.9818055
H   -1.8912610   0.5769994  -5.4742540
O   -4.0888340   0.3900472  -1.3591227
H   -4.9203993   0.5263558  -1.8127420
H   -4.2785089   0.5960351  -0.4440032
O   -0.9933187  -1.9479241  -2.3172824
H   -0.0752978  -2.1902221  -2.1973638
H   -1.4812563  -2.7411336  -2.0968581
O   -1.8353296   0.3639322  -2.3468328
H   -1.4754735  -0.5414456  -2.2922422
H   -1.8537384   0.6831205  -3.2687686
H   -2.7179680   0.4200679  -1.9345419
13
   Energy =    -281.5324854      kJ/mol
O    3.2809266  -1.8680841  -0.4145415
H    3.2191510  -2.4400418   0.3502456
H    4.0693368  -1.3476649  -0.2614905
O   -0.1584505  -3.0733458   0.1457335
H   -1.0159423  -3.1297001   0.5669024
H    0.4528413  -3.4094403   0.8008778
O    2.2892521  -3.7212992   1.6444251
H    2.3699741  -3.5185060   2.5762031
H    2.5937445  -4.6254031   1.5687162
O    1.0217625  -1.4498024  -1.2499152
H    0.9520571  -1.6894129  -2.1932675
H    0.4444322  -2.0105159  -0.6981220
H    1.9473993  -1.4838309  -0.9429554
13
   Energy =    -274.2696347      kJ/mol
O   -3.5311540   0.2283540  -3.0577427
H   -3.0497006   0.8523946  -3.6005384
H   -4.4411333   0.3170524  -3.3404464
O   -4.5610689  -1.1897468   0.5098819
H   -4.8518383  -0.5843348   1.1916302
H   -4.8985053  -2.0416231   0.7860969
O   -5.4574603  -3.7869904   1.1797764
H   -6.2703672  -4.1957924   0.8832724
H   -5.1669702  -4.3332505   1.9098905
O   -2.7151739  -0.8298414  -1.0093369
H   -3.4284221  -0.9402545  -0.3526242
H   -2.3173580  -1.6882082  -1.2483653
H   -3.0317879  -0.3534158  -1.7998809
13
   Energy =    -273.3917476      kJ/mol
O   -2.2419484  -1.6265481  -1.3458610
H   -2.2167391  -1.1549235  -0.5135233
H   -2.9762992  -1.2368733  -1.8199218
O   -0.7076923  -3.8822072  -2.0978952
H   -1.2520371  -3.1428825  -1.8278230
H   -1.2055781  -4.6555403  -1.8334771
O    3.2551853  -4.3754131  -2.2395284
H    3.2761997  -4.7706518  -1.3682098
H    4.1546124  -4.0870659  -2.3936003
O    1.2754388  -3.5944471  -3.4473858
H    0.4702110  -3.6648351  -2.9007238
H    2.0708469  -3.8453946  -2.9408911
H    1.1955950  -4.1202500  -4.2655190
13
   Energy =    -223.8504927      kJ/mol
O   -0.6695185   4.1977390   0.2465924
H   -1.3472316   4.3215861  -0.4176502
H   -0.9049888   4.8073497   0.9457203
O    3.6304618   4.5252387  -1.7165833
H    3.6432397   4.5918499  -2.6711780
H    4.2274011   5.2121275  -1.4204440
O    1.8747474   3.0015977  -0.0965682
H    2.4212075   3.5555018  -0.6537242
H    1.0455398   3.4744511  -0.0281897
O    2.2281367   0.6952067   0.3562087
H    2.9920650   0.6099292   0.9573134
H    1.4230020   0.3084016   0.7490517
H    2.0841683   1.6244475   0.0954976
13
   Energy =    -213.0860994      kJ/mol
O   -3.6782530   3.7206459  -2.1006926
H   -4.2409236   4.0734315  -1.4116386
H   -3.5794961   4.4417697  -2.7220450
O   -4.0198541   0.9511917  -3.1268430
H   -4.3411863   1.8450183  -3.0099210
H   -4.8011054   0.4418612  -3.3415059
O   -1.5786125   1.3397759  -1.7156820
H   -1.6252076   2.2640380  -1.4719206
H   -2.4041515   1.1695751  -2.1688578
O    0.3111455  -0.1116584  -1.7471898
H    0.1718701  -0.8265062  -1.0977434
H    0.4468549  -0.4696169  -2.6447612
H   -0.4224431   0.5315444  -1.7292026
