9H+ optimized by AM1 EF AM1 CHARGE=1 PRECISE 1.dat C 0.0000000 0 0.000000 0 0.000000 0 0 0 0 -0.1131 C 1.5361930 1 0.000000 0 0.000000 0 1 0 0 0.1293 C 1.5263357 1 109.416413 1 0.000000 0 2 1 0 -0.1383 C 1.5341252 1 107.409057 1 62.198409 1 3 2 1 -0.1476 C 1.5232688 1 110.109951 1 -61.447361 1 4 3 2 -0.1122 C 1.5252323 1 109.629777 1 -59.407946 1 5 4 3 -0.1550 C 1.5251288 1 109.496550 1 59.689629 1 6 5 4 -0.1088 C 1.5278102 1 110.219754 1 57.173901 1 1 2 3 -0.1588 C 1.5295419 1 108.431492 1 -62.204188 1 1 2 3 -0.1534 C 1.5272409 1 111.155350 1 -56.907296 1 3 2 1 -0.1598 C 3.9605750 1 20.386203 1 -126.795027 1 1 2 3 -0.1070 C 1.5336357 1 115.255847 1 -166.597909 1 2 1 8 -0.1304 C 1.5483139 1 102.548431 1 72.013116 1 12 2 1 -0.1219 C 1.5319053 1 99.649043 1 53.625922 1 13 12 2 0.0400 C 1.5288891 1 111.223427 1 70.424227 1 14 13 12 -0.1463 C 1.5294775 1 109.854976 1 51.664167 1 15 14 13 -0.1470 C 1.5260840 1 110.107524 1 -59.802835 1 16 15 14 -0.1130 C 1.5303138 1 109.715268 1 -168.200077 1 11 12 2 -0.1532 C 1.5299182 1 112.297997 1 -50.097669 1 11 12 2 -0.1812 C 1.5120689 1 113.888074 1 175.053027 1 13 12 2 -0.1486 O 1.5925265 1 102.574814 1 -59.223140 1 2 1 8 -0.1495 H 1.1216620 1 110.495163 1 177.675707 1 1 2 3 0.1149 H 1.1213810 1 111.796676 1 -179.520223 1 3 2 1 0.1157 H 1.1204334 1 109.751991 1 60.142559 1 4 3 2 0.0926 H 1.1209288 1 108.608830 1 178.068352 1 4 3 2 0.1175 H 1.1232965 1 109.403564 1 -179.656558 1 5 4 3 0.1234 H 1.1201955 1 109.893230 1 -61.107444 1 6 5 4 0.1023 H 1.1202684 1 109.850317 1 -179.646765 1 6 5 4 0.1045 H 1.1231303 1 109.602505 1 179.800809 1 7 6 5 0.1211 H 1.1210382 1 109.005822 1 179.784689 1 8 1 2 0.1173 H 1.1203380 1 109.976000 1 61.803058 1 8 1 2 0.0881 H 1.1214920 1 108.618775 1 -179.588028 1 9 1 2 0.1184 H 1.1195850 1 110.584604 1 -61.622964 1 9 1 2 0.0905 H 1.1216319 1 108.882155 1 179.003996 1 10 3 2 0.1201 H 1.1201753 1 110.768355 1 -63.103775 1 10 3 2 0.0702 H 1.1229342 1 108.935993 1 71.711275 1 11 12 2 0.1191 H 1.1197369 1 110.111439 1 -46.640834 1 12 2 1 0.1581 H 1.1229461 1 110.930107 1 -62.526816 1 13 12 2 0.1273 H 1.1176301 1 115.964235 1 -155.717771 1 14 13 12 0.1687 H 1.1224102 1 109.875100 1 172.612934 1 15 14 13 0.1226 H 1.1203514 1 110.120925 1 61.485675 1 16 15 14 0.1046 H 1.1208781 1 108.794583 1 179.417879 1 16 15 14 0.1164 H 1.1233047 1 109.224753 1 -175.670583 1 17 16 15 0.1287 H 1.1205892 1 109.265072 1 -177.303250 1 18 11 12 0.1088 H 1.1203531 1 109.965742 1 -59.234515 1 18 11 12 0.1034 H 1.1236564 1 109.089506 1 -171.960182 1 19 11 12 0.1313 H 1.1171076 1 113.082873 1 70.708664 1 19 11 12 0.0725 H 1.1215283 1 109.194663 1 63.452820 1 20 13 12 0.1155 H 1.1212413 1 109.797487 1 -178.641334 1 20 13 12 0.1094 H 0.9846430 1 108.812256 1 130.637379 1 21 2 1 0.2926