PM7 PRECISE XYZ FORCE UHF H 0.97225750 +1 0.64435494 +1 -0.11121212 +1 0.2189 C 2.19052124 +1 0.42839891 +1 -0.31948975 +1 -0.1713 H 2.56027500 +1 0.39820114 +1 0.71414182 +1 0.1444 O -0.25761369 +1 0.55592556 +1 0.30210482 +1 -0.3935 C -1.12894314 +1 0.39216896 +1 -0.75369443 +1 -0.2172 H -1.11372582 +1 1.26152200 +1 -1.42150560 +1 0.1200 H -0.91284397 +1 -0.52916579 +1 -1.30867290 +1 0.1227 H -2.12315257 +1 0.30770247 +1 -0.28306672 +1 0.1536 C 2.70153994 +1 1.60646961 +1 -1.11113853 +1 -0.4540 H 3.78666067 +1 1.53501298 +1 -1.26978475 +1 0.1538 H 2.23213779 +1 1.67440313 +1 -2.10052944 +1 0.1489 H 2.51136490 +1 2.55667835 +1 -0.59434049 +1 0.1532 C 2.29342006 +1 -0.89708783 +1 -1.04191916 +1 -0.2851 H 1.75297211 +1 -0.85607723 +1 -2.00783749 +1 0.1415 H 3.35130983 +1 -1.10081358 +1 -1.30456860 +1 0.1459 C 1.74014878 +1 -2.04103679 +1 -0.18066564 +1 -0.2554 H 0.70614235 +1 -1.80194795 +1 0.14306171 +1 0.1522 H 2.32839203 +1 -2.13323902 +1 0.75166017 +1 0.1363 C 1.75993698 +1 -3.36214750 +1 -0.94749939 +1 -0.4393 H 1.14583063 +1 -3.31019583 +1 -1.85314068 +1 0.1403 H 2.77641300 +1 -3.63461198 +1 -1.25216425 +1 0.1414 H 1.36965131 +1 -4.18146208 +1 -0.33295540 +1 0.1427 Bond info. 1 2 1 2 3 1 2 9 1 2 13 1 4 5 1 5 6 1 5 7 1 5 8 1 9 10 1 9 11 1 9 12 1 13 14 1 13 15 1 13 16 1 16 17 1 16 18 1 16 19 1 19 20 1 19 21 1 19 22 1 Root No. 1 2 3 4 5 6 7 8 -1821.3 33.5 39.0 64.8 82.3 86.9 135.7 138.5 1 0.6407 0.0028 -0.0065 0.0035 0.0073 -0.0092 0.0023 0.0043 2 -0.0275 0.0171 -0.0753 -0.0115 -0.0086 -0.0288 0.0170 0.0221 3 -0.1141 -0.0280 -0.0194 -0.0152 0.0369 -0.0032 0.0128 -0.0037 4 -0.0468 0.0036 -0.0055 0.0045 0.0064 -0.0087 0.0011 0.0021 5 0.0068 0.0061 -0.0127 -0.0047 0.0040 -0.0055 0.0064 -0.0005 6 -0.0013 -0.0128 -0.0062 -0.0143 0.0002 0.0038 0.0071 -0.0013 7 0.1383 0.0126 -0.0557 -0.0014 -0.0031 -0.0276 0.0094 0.0191 8 -0.0062 0.0045 -0.0037 -0.0037 0.0056 -0.0020 0.0047 -0.0033 9 0.0000 -0.0063 -0.0004 -0.0241 -0.0238 0.0117 -0.0036 0.0007 10 -0.0373 0.0071 0.0052 0.0262 -0.0017 -0.0045 -0.0141 0.0050 11 -0.0059 -0.0020 -0.0131 0.0021 -0.0035 -0.0125 0.0032 0.0122 12 0.0106 -0.0003 -0.0100 0.0702 0.0009 0.0066 -0.0433 0.0102 13 0.0038 0.0394 -0.0390 -0.0012 -0.0089 -0.0249 0.0084 0.0183 14 0.0113 -0.0067 0.0207 -0.0036 0.0004 -0.0071 0.0015 0.0019 15 -0.0028 0.0549 0.0336 -0.0175 0.0003 -0.0179 0.0016 -0.0037 16 -0.0025 0.0226 -0.0821 -0.0932 0.0394 -0.0458 -0.1380 0.0665 17 0.0061 -0.0319 -0.0020 0.0985 -0.0240 0.0158 0.0460 -0.0078 18 -0.0047 0.0741 0.0516 -0.0908 0.0170 -0.0343 -0.0277 0.0021 19 0.0005 0.0785 -0.0450 0.0423 -0.0499 -0.0268 0.1328 -0.0043 20 0.0124 0.0260 0.0243 -0.1199 0.0265 -0.0371 -0.0491 0.0202 21 0.0072 0.0538 0.0389 -0.1109 0.0379 -0.0350 -0.0957 0.0196 22 -0.0111 0.0429 -0.0219 0.0313 -0.0247 -0.0167 0.0569 0.0012 23 -0.0059 -0.0193 0.0705 0.0070 0.0023 0.0060 0.0044 -0.0170 24 0.0071 0.0822 0.0446 0.0957 -0.0623 -0.0004 0.1849 -0.0493 25 0.0147 0.0112 0.0394 0.0065 -0.0242 0.0119 -0.0153 -0.0037 26 -0.0041 0.0076 0.0120 -0.0144 -0.0155 0.0114 -0.0097 -0.0030 27 -0.0083 -0.0111 -0.0047 -0.0086 0.0006 0.0015 0.0101 -0.0021 28 0.0048 0.0126 0.0385 0.0066 -0.0280 0.0102 -0.0205 -0.0189 29 -0.0058 -0.0003 0.0744 -0.0132 -0.0077 0.0564 0.0277 0.1702 30 -0.0050 0.0001 0.0007 -0.0075 -0.0322 -0.0045 -0.0275 -0.1041 31 0.0028 0.0033 0.0995 0.0092 -0.0152 0.0550 0.0220 0.1662 32 0.0020 0.0100 -0.0052 -0.0154 -0.0187 -0.0009 -0.0211 -0.0530 33 0.0016 -0.0180 -0.0071 0.0001 0.0290 0.0031 0.0458 0.0824 34 0.0058 0.0239 0.0167 0.0068 -0.0551 -0.0123 -0.0631 -0.1626 35 -0.0021 0.0141 -0.0116 -0.0227 -0.0360 -0.0060 -0.0477 -0.1216 36 0.0002 -0.0138 -0.0064 -0.0131 0.0046 0.0039 0.0127 0.0111 37 0.0115 -0.0165 0.0141 0.0098 0.0474 -0.0053 0.0088 -0.0142 38 -0.0036 -0.0032 0.0035 0.0097 0.0300 -0.0063 0.0118 -0.0102 39 0.0061 -0.0109 -0.0042 -0.0083 0.0002 0.0021 0.0074 -0.0008 40 0.0030 -0.0439 0.0477 0.0337 0.0983 -0.0364 0.0205 -0.0311 41 0.0024 0.0065 -0.0084 0.0012 0.0119 0.0050 0.0073 -0.0043 42 -0.0008 -0.0106 -0.0034 -0.0081 0.0043 0.0187 0.0063 -0.0040 43 0.0021 -0.0188 0.0167 0.0115 0.0513 -0.0077 0.0100 -0.0156 44 -0.0002 -0.0324 0.0389 0.0358 0.0840 -0.0397 0.0233 -0.0276 45 0.0063 -0.0083 -0.0018 0.0021 -0.0049 -0.0166 0.0041 0.0034 46 0.0000 0.0009 -0.0119 -0.0198 0.0160 0.0393 0.0058 -0.0095 47 -0.0003 0.0113 -0.0098 0.0025 0.0089 0.0215 0.0009 -0.0054 48 0.0002 -0.0128 -0.0062 -0.0154 0.0009 0.0026 0.0126 -0.0019 49 0.0048 0.0078 -0.0149 -0.0218 0.0182 0.0471 0.0061 -0.0102 50 -0.0003 0.0598 -0.0359 -0.0152 0.0174 0.0834 0.0006 -0.0087 51 0.0000 -0.0252 -0.0125 -0.0310 -0.0274 0.0029 0.0126 0.0030 52 0.0021 0.0454 -0.0369 -0.0371 0.0225 0.0985 0.0052 -0.0125 53 -0.0012 -0.0079 0.0008 0.0096 0.0052 -0.0037 0.0009 -0.0040 54 -0.0016 -0.0022 -0.0027 -0.0098 0.0336 0.0020 0.0230 -0.0092 55 -0.0003 -0.0485 -0.0008 -0.0268 -0.0293 -0.0045 0.0052 -0.0004 56 0.0000 -0.0120 -0.0020 0.0091 -0.0206 0.0000 -0.0123 0.0026 57 0.0009 -0.0121 -0.0048 -0.0096 -0.0033 0.0027 0.0055 0.0001 58 0.0016 -0.0969 0.0243 -0.0103 -0.0466 -0.0914 0.0114 0.0149 59 -0.0003 0.0099 -0.0135 0.0014 -0.0135 0.0400 -0.0155 -0.0043 60 -0.0011 -0.0208 -0.0089 -0.0168 -0.0335 0.0187 -0.0082 0.0013 61 0.0002 -0.0556 0.0019 -0.0260 -0.0337 -0.0144 0.0057 0.0014 62 -0.0001 -0.0647 0.0254 0.0278 -0.0404 -0.0941 -0.0067 0.0195 63 -0.0019 -0.0017 0.0018 0.0077 0.0225 -0.0145 0.0083 0.0022 64 0.0012 -0.0316 -0.0200 -0.0506 -0.0438 0.0574 -0.0016 -0.0103 65 -0.0003 0.0008 -0.0116 0.0034 -0.0317 0.0372 -0.0254 -0.0008 66 0.0005 -0.0134 -0.0063 -0.0152 -0.0022 0.0039 0.0108 -0.0015