NIST 06261405543D 1 1.00000 -692.06610 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 32 31 0 0 0 0 0 0 0 0999 V2000 0.6672 0.8346 -0.0691 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3596 0.0149 1.1630 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1040 -1.3254 1.2005 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7640 -2.1540 2.4449 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5105 -3.4933 2.4982 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1676 -4.3356 3.7334 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9180 -5.6729 3.7889 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5704 -6.5210 5.0187 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3214 -7.8578 5.0743 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9660 -8.7011 6.3029 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0019 2.0123 -0.0581 F 0 0 0 0 0 0 0 0 0 0 0 0 1.9864 1.1213 -0.1679 F 0 0 0 0 0 0 0 0 0 0 0 0 0.3152 0.1868 -1.2045 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.7253 -0.1398 1.1840 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6171 0.6293 2.0332 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1842 -1.1359 1.1647 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8574 -1.8967 0.2966 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3199 -2.3393 2.4743 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9977 -1.5708 3.3478 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5941 -3.3055 2.4754 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2836 -4.0707 1.5899 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0842 -4.5256 3.7532 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3903 -3.7564 4.6418 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0015 -5.4822 3.7741 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6998 -6.2490 2.8774 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4870 -6.7132 5.0330 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7875 -5.9457 5.9312 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4038 -7.6655 5.0629 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1061 -8.4316 4.1616 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5167 -9.6487 6.3113 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8951 -8.9380 6.3246 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2051 -8.1690 7.2321 H 0 0 0 0 0 0 0 0 0 0 0 0 6 7 1 0 3 4 1 0 7 8 1 0 8 9 1 0 4 5 1 0 9 10 1 0 2 3 1 0 1 11 1 0 5 6 1 0 1 12 1 0 1 2 1 0 1 13 1 0 2 14 1 0 2 15 1 0 3 16 1 0 3 17 1 0 4 18 1 0 4 19 1 0 5 20 1 0 5 21 1 0 6 22 1 0 6 23 1 0 7 24 1 0 7 25 1 0 8 26 1 0 8 27 1 0 9 28 1 0 9 29 1 0 10 30 1 0 10 31 1 0 10 32 1 0 M END > Collection (C) 2016 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. > 2014-06-26 > R172913 > B3LYP/6-31G* > 2.3251 debye > -692.066100370 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 25.0998 0.3230 34.8578 0.3163 42.1179 0.0327 64.5349 0.3605 88.2228 0.0154 102.2401 0.7324 114.9311 0.1882 133.2275 0.0060 160.1293 0.0194 168.1194 0.0170 171.4108 0.5046 199.9159 0.2392 247.8748 0.0015 296.0520 0.0472 354.4028 2.6033 362.4444 0.4080 400.0841 1.5346 479.7147 1.8027 484.9524 0.4874 529.8586 0.7427 561.9201 4.6116 652.1536 13.5224 739.0821 5.2291 741.8933 0.2776 753.9918 1.0699 783.9571 0.3790 836.0775 0.1173 845.3023 6.5642 902.8982 3.8059 905.4720 1.8168 974.5163 4.9492 1000.8108 0.9230 1013.2045 2.3734 1038.9246 18.0148 1042.0984 0.7110 1064.8421 3.8623 1068.7663 0.4845 1069.6208 2.4858 1082.4916 33.7034 1085.0447 39.2195 1146.1382 6.7886 1188.2733 185.6704 1221.3477 16.7536 1242.2066 33.6018 1251.3662 9.2324 1275.6974 27.6986 1285.1845 121.0639 1298.7561 86.0403 1310.0557 19.1733 1338.1665 7.4770 1339.9587 15.6157 1340.3632 8.9859 1351.3622 6.4036 1354.2652 1.5844 1364.9049 35.1813 1379.5523 33.3335 1410.4639 10.3298 1425.9072 4.9040 1427.3538 4.0241 1436.8663 25.7107 1442.2215 1.3151 1509.1433 6.4841 1514.2050 0.1842 1514.3502 0.7381 1517.7710 0.0570 1520.6122 0.1641 1527.7663 1.1032 1529.4934 5.8460 1535.5479 0.9361 1541.9079 0.7307 1545.6940 5.7261 3011.0231 0.8882 3011.7403 0.2668 3015.5647 2.1666 3017.5562 0.0248 3024.9999 12.9514 3029.6085 147.6041 3032.0354 0.1183 3035.5247 0.1544 3041.7210 42.8382 3041.8888 1.0636 3050.4257 27.4173 3052.6431 2.2469 3064.9379 0.1539 3070.9209 22.3191 3075.4317 125.1208 3089.5342 40.8942 3106.2161 69.5683 3111.1859 44.5140 3117.7620 36.0386 > 3.54983 GHz 0.14195 GHz 0.14099 GHz > Gaussian 09, Revision D.01 > Sonia Dermer $$$$