13
   Energy =     -300.5201932352  kJ/mol
O    2.8994888  -0.2133697  -0.7501932
H    3.2400544  -1.0941753  -0.5951201
H    3.5171309   0.3648733  -0.3029745
O   -0.1301605   1.9334964   1.3622446
H   -0.5818968   1.6445951   2.1549120
H   -0.5674530   2.7498090   1.1208729
O   -0.7712444   0.7748608  -2.6993780
H   -1.4625286   0.1969925  -3.0219389
H   -0.2294317   0.9530205  -3.4678501
O    0.3540543   0.1522506  -0.4527219
H    0.1588362   0.8255529   0.2260560
H   -0.0613086   0.3784766  -1.3062329
H    1.3153272   0.0164542  -0.5512072
13
   Energy =     -298.3344036689  kJ/mol
O   -0.1100242   1.7652413   0.6311726
H   -0.8124859   1.2703661   0.2098684
H    0.1410728   1.2313391   1.3846645
O    3.5698860   2.1559000  -1.7133977
H    3.6006708   1.9961100  -2.6564623
H    3.9715796   1.3788835  -1.3251466
O    2.0787850   5.4160260   0.5929933
H    2.9097414   5.8536019   0.4089010
H    1.4373927   6.1252666   0.6310061
O    1.4475842   3.3062950  -0.7609645
H    2.2431935   2.8503038  -1.0945261
H    0.8966955   2.7087317  -0.2209410
H    1.6829216   4.1144177  -0.2672645
13
   Energy =     -281.9514856123  kJ/mol
O   -0.0099561   0.2990501  -0.6499847
H    0.1338201  -0.2685893   0.1069600
H    0.1199898  -0.2724058  -1.4065582
O   -2.3868682   1.8740125  -0.9634429
H   -3.1281781   1.8142415  -0.3611653
H   -1.8208715   1.1414866  -0.7207396
O    1.3857435   2.7805505  -1.0002025
H    1.2189050   1.8719283  -0.7503585
H    2.0842422   3.0667577  -0.4119541
O   -0.8745102   3.8784655  -1.1056730
H   -0.9866086   4.3097690  -1.9737725
H   -1.5313056   3.1687297  -0.9749808
H    0.0353157   3.5451802  -0.9902456
13
   Energy =     -279.0655335826  kJ/mol
O   -3.4359588   3.0428584  -2.0728886
H   -4.3574120   3.0957376  -1.8199478
H   -3.1912087   3.9450800  -2.2776930
O   -2.9434599   0.9116568  -3.9247042
H   -3.2109204   1.7680723  -3.5917348
H   -2.7432635   1.0649878  -4.8478847
O   -1.3908284   1.8363474  -0.4687216
H   -2.1844389   2.3391121  -0.6510985
H   -1.4328422   1.6537450   0.4697572
O   -1.2389662   0.0786401  -2.2787157
H   -1.5023352  -0.8033911  -1.9549206
H   -1.8171162   0.3764125  -3.0062182
H   -1.2176541   0.7308255  -1.5531913
13
   Energy =     -274.7863266545  kJ/mol
O    2.2520147   0.0881611   0.8420867
H    2.4983701   0.4458887   1.6948418
H    1.9390407   0.8443450   0.3460177
O    1.1828943  -2.3449770   0.3377245
H    0.4605847  -2.5116836   0.9429758
H    1.5035686  -1.4765267   0.5802390
O    3.0165169  -4.9866889  -2.3017728
H    3.8160574  -4.8941067  -2.8194742
H    2.3117908  -4.7493626  -2.9041752
O    3.0084310  -4.0094699   0.0636885
H    2.9503924  -4.7248038   0.7248349
H    3.0124299  -4.3657854  -0.8447216
H    2.2941413  -3.3558140   0.1849723
