NIST 08031401453D 1 1.00000 -347.75297 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 24 23 0 0 0 0 0 0 0 0999 V2000 35.0757 29.9895 0.2090 C 0 0 0 0 0 0 0 0 0 0 0 0 36.3931 29.2177 0.0877 C 0 0 0 0 0 0 0 0 0 0 0 0 35.2469 31.4408 0.1650 N 0 0 0 0 0 0 0 0 0 0 0 0 36.1302 27.7810 0.0345 N 0 0 0 0 0 0 0 0 0 0 0 0 33.9947 32.1154 -0.1515 C 0 0 0 0 0 0 0 0 0 0 0 0 35.8236 31.9805 1.3901 C 0 0 0 0 0 0 0 0 0 0 0 0 37.3414 26.9743 -0.1026 C 0 0 0 0 0 0 0 0 0 0 0 0 37.0115 25.4835 -0.1002 C 0 0 0 0 0 0 0 0 0 0 0 0 34.4456 29.6924 -0.6360 H 0 0 0 0 0 0 0 0 0 0 0 0 34.5397 29.6704 1.1295 H 0 0 0 0 0 0 0 0 0 0 0 0 37.0864 29.4894 0.9064 H 0 0 0 0 0 0 0 0 0 0 0 0 36.8828 29.5153 -0.8474 H 0 0 0 0 0 0 0 0 0 0 0 0 35.6509 27.5028 0.8917 H 0 0 0 0 0 0 0 0 0 0 0 0 34.1717 33.1927 -0.2453 H 0 0 0 0 0 0 0 0 0 0 0 0 33.6073 31.7502 -1.1085 H 0 0 0 0 0 0 0 0 0 0 0 0 33.2085 31.9672 0.6162 H 0 0 0 0 0 0 0 0 0 0 0 0 35.9688 33.0608 1.2802 H 0 0 0 0 0 0 0 0 0 0 0 0 36.8015 31.5320 1.5854 H 0 0 0 0 0 0 0 0 0 0 0 0 35.1841 31.8104 2.2805 H 0 0 0 0 0 0 0 0 0 0 0 0 37.8141 27.2451 -1.0562 H 0 0 0 0 0 0 0 0 0 0 0 0 38.0903 27.1914 0.6853 H 0 0 0 0 0 0 0 0 0 0 0 0 37.9164 24.8830 -0.2441 H 0 0 0 0 0 0 0 0 0 0 0 0 36.5607 25.1793 0.8534 H 0 0 0 0 0 0 0 0 0 0 0 0 36.3021 25.2455 -0.8994 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 1 0 2 4 1 0 3 5 1 0 3 6 1 0 4 7 1 0 7 8 1 0 1 9 1 0 1 10 1 0 2 11 1 0 2 12 1 0 4 13 1 0 5 14 1 0 5 15 1 0 5 16 1 0 6 17 1 0 6 18 1 0 6 19 1 0 7 20 1 0 7 21 1 0 8 22 1 0 8 23 1 0 8 24 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. > 2014-08-03 > 123-83-1 > B3LYP/6-31G* > 1.1388 debye > -347.752973655 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 44.3162 0.5986 59.4244 0.5141 103.4040 0.3208 128.0742 1.9324 144.4752 1.3339 239.6734 0.7576 247.2054 0.8681 265.3943 1.0179 271.0118 0.4116 313.5275 0.5670 384.8639 7.5620 415.3060 0.8792 479.1717 0.8405 520.1619 1.4122 795.5879 77.6458 817.0854 0.8708 832.4866 4.7417 868.9606 13.7565 932.1882 4.1020 1044.6310 2.5520 1047.5970 16.2295 1071.3866 26.5684 1087.9255 35.6780 1090.9851 3.7876 1133.1839 6.1465 1145.7467 31.6982 1163.6921 32.9411 1171.1865 11.7299 1213.0830 9.0224 1243.9835 0.7476 1285.3142 5.0931 1314.9261 19.0391 1326.7279 11.5566 1346.2773 11.5422 1357.7331 29.1304 1404.1141 1.2779 1437.3337 1.2308 1454.4911 13.4104 1469.1825 2.5631 1499.0893 1.2398 1504.4559 29.8060 1512.6823 9.6933 1520.1925 3.7574 1526.5780 16.2848 1529.5635 0.5638 1530.1609 10.8828 1533.5738 3.9842 1541.1597 8.9979 1546.8414 4.7548 1558.1069 0.5312 2888.5126 66.9781 2922.4700 16.7678 2922.5358 95.8698 2935.1435 160.1036 2942.9223 109.7294 3044.6037 17.1981 3052.8351 31.4153 3073.4607 34.1318 3075.4105 27.1174 3086.4460 42.7236 3094.3803 29.4116 3109.6695 47.0578 3121.1436 38.8004 3131.4929 30.6657 3135.6573 35.0919 3456.4518 2.5874 > 6.24788 GHz 0.66789 GHz 0.63238 GHz > Gaussian 09, Revision D.01 > Ethan Ho $$$$