NIST 06211404143D 1 1.00000 -291.19169 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 20 19 0 0 0 0 0 0 0 0999 V2000 -0.0110 -0.1384 0.1536 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1074 0.5820 0.0308 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4634 -0.0494 -0.1637 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1105 2.0966 0.0857 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2163 2.6887 -0.0159 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2104 4.1477 0.0583 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6200 4.7094 -0.1120 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9728 0.3370 0.3159 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0097 -1.2247 0.1121 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4045 -1.1418 -0.1483 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9127 0.2557 -1.1189 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1638 0.2630 0.6237 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5483 2.4148 1.0453 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8102 2.4765 -0.6888 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6328 2.4007 -0.9012 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1823 4.4297 1.0445 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4670 4.6101 -0.6875 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6190 5.8010 -0.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0276 4.4605 -1.1002 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2931 4.2942 0.6450 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 2 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 1 8 1 0 1 9 1 0 3 10 1 0 3 11 1 0 3 12 1 0 4 13 1 0 4 14 1 0 5 15 1 0 6 16 1 0 6 17 1 0 7 18 1 0 7 19 1 0 7 20 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. > 2014-06-21 > 18328-90-0 > B3LYP/6-31G* > 1.1740 debye > -291.191691415 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 68.8758 0.0221 98.7199 1.5412 128.5775 0.7195 156.0361 1.2542 184.2819 0.3037 262.4409 0.9575 313.7209 0.2424 333.8255 0.2661 437.0438 4.4278 464.7629 0.1638 522.5301 2.0718 725.9562 0.2742 803.4654 61.1836 828.3677 3.1765 857.7773 0.9555 934.1230 2.1855 935.6718 36.5263 976.3995 2.2066 1007.5655 11.0445 1033.1477 3.9982 1060.7452 1.3104 1089.3960 5.2323 1153.5531 16.5254 1170.0785 46.1093 1192.9019 2.6455 1276.2323 18.3119 1279.6462 3.2070 1328.4290 4.4486 1383.6040 23.0304 1428.4329 0.9934 1437.9299 0.4747 1449.0625 9.6323 1461.4541 2.2238 1504.1181 26.7459 1510.0282 8.2490 1520.8028 2.5673 1526.0214 20.7248 1527.3066 7.1577 1533.2755 7.4776 1554.6695 1.4360 1739.5295 12.8228 2896.4651 73.8057 2924.2139 109.4414 3012.7441 23.9052 3028.7044 36.6570 3045.6049 12.6267 3051.9236 42.7939 3072.3857 29.1196 3110.9363 45.2320 3127.4660 23.5282 3132.0665 29.9770 3166.7075 12.3758 3252.7168 11.4716 3472.9777 0.5367 > 7.00658 GHz 1.10320 GHz 0.98339 GHz > Gaussian 09, Revision D.01 > Ethan Ho $$$$