NIST 08031215043D 1 1.00000 -313.28326 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 22 22 0 0 0 0 0 0 0 0999 V2000 -7.6834 -0.4055 0.5287 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2851 -0.2834 -0.1034 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6516 0.5640 -0.1658 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1895 -1.8513 0.4992 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8383 1.1470 -0.3309 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7034 2.1687 -0.2810 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3734 1.3463 -0.6241 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1819 2.0190 -0.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5996 -0.0927 1.5812 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2671 -0.8240 -1.0651 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5480 -0.8004 0.5296 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6643 0.4506 0.2427 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7106 0.3025 -1.2325 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3171 -2.2018 -0.5334 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4864 -2.5313 0.9957 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1584 -1.9441 1.0044 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3336 3.1826 -0.4367 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1344 2.3990 -0.8073 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7486 0.9946 0.2093 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0634 0.7702 -1.5079 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4185 2.3901 0.9885 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7454 2.6669 -0.7081 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 5 7 1 0 5 6 2 0 6 8 1 0 8 3 1 0 3 1 1 0 1 2 1 0 5 2 1 0 1 9 1 0 2 10 1 0 2 11 1 0 3 12 1 0 3 13 1 0 4 14 1 0 4 15 1 0 4 16 1 0 6 17 1 0 7 18 1 0 7 19 1 0 7 20 1 0 8 21 1 0 8 22 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. > 2012-08-03 > 2808-77-7 > B3LYP/6-31G* > 0.1706 debye > -313.283256136 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 112.1523 0.0271 164.6417 0.4250 200.8484 0.2391 238.2103 0.0202 258.8102 0.3052 277.5070 1.7305 362.7365 0.2629 422.3236 0.1341 429.0410 0.9696 452.8576 0.5931 485.7341 0.5490 634.7509 0.6444 786.9455 2.3532 830.4871 4.5595 853.0633 0.7141 894.9178 3.1518 907.2587 0.7333 952.7575 1.6198 974.6183 0.9246 990.2087 0.8575 1035.8737 1.0407 1067.0406 1.4345 1072.7092 1.4913 1111.9693 3.7129 1131.1507 1.0204 1173.7155 3.0895 1186.2826 1.8540 1193.1065 0.5733 1264.0014 1.0288 1294.1366 2.5331 1334.7515 0.3405 1344.1319 1.7927 1388.1451 5.9675 1390.0664 0.2498 1402.3927 3.9535 1421.3372 0.9965 1437.3754 2.1291 1443.6015 0.7979 1503.0862 0.2454 1509.0921 8.3253 1510.9892 0.7178 1521.9318 3.3956 1524.9749 2.9118 1528.1878 6.1910 1529.1443 2.2365 1753.2501 1.4689 2987.4690 21.2790 2999.9498 29.2519 3004.4159 24.3089 3022.1525 34.6551 3024.3011 21.3932 3032.2019 47.7184 3035.7620 46.8997 3045.6274 57.1315 3065.4368 29.8973 3069.5589 46.3603 3099.1773 51.1817 3105.5650 37.6894 3117.8615 22.8739 3146.9822 39.9816 > 3.06252 GHz 1.63398 GHz 1.12847 GHz > Gaussian 09, Revision C.01 > Alexander Yang $$$$