NIST 06171403283D 1 1.00000 -367.43255 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 -1.0240 -0.7859 -0.6129 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3396 -0.8794 -0.1780 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3985 -1.9010 0.7461 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0898 -2.4404 0.8830 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2536 -1.7392 0.0404 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5128 0.2206 -1.5337 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0516 1.5080 -0.8402 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4314 0.0015 -0.6989 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2112 -1.9121 -0.2126 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2948 -2.2268 1.2583 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7862 -3.2609 1.5206 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3161 -0.2213 -2.0955 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2980 0.4467 -2.2619 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3171 2.2283 -1.5799 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8751 1.9735 -0.2888 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7551 1.3034 -0.1288 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3732 -0.2682 -0.2121 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2554 1.0680 -0.5016 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5835 -0.1055 -1.7824 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5894 -2.7269 0.4116 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4346 -2.1725 -1.2570 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7990 -1.0158 0.0292 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 6 7 1 0 2 8 1 0 5 9 1 0 5 4 2 0 4 3 1 0 3 2 2 0 2 1 1 0 5 1 1 0 3 10 1 0 4 11 1 0 6 12 1 0 6 13 1 0 7 14 1 0 7 15 1 0 7 16 1 0 8 17 1 0 8 18 1 0 8 19 1 0 9 20 1 0 9 21 1 0 9 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. > 2014-06-17 > R2396 > B3LYP/6-31G* > 2.0762 debye > -367.432546380 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 78.8348 0.0994 96.4273 0.0775 150.3553 0.0034 170.6339 0.1412 180.5188 2.7079 203.2019 0.0922 276.3067 0.8950 284.9746 0.0946 316.7053 0.6111 396.9333 4.9726 470.3170 0.0532 574.6899 1.8245 635.0895 0.0525 646.4907 0.5755 702.3457 1.7845 716.7457 0.3823 764.5906 36.5664 799.2545 1.9927 824.3817 0.0142 968.3496 4.0722 977.3876 1.2190 1000.5992 2.8849 1034.1995 4.3046 1055.4640 6.8620 1072.2083 0.0767 1078.9417 2.0991 1108.4903 5.2001 1176.5346 0.9312 1224.5098 2.0910 1255.5800 0.7325 1311.2788 0.0502 1340.1738 45.9359 1406.1734 27.7895 1435.7069 16.8184 1438.1466 1.5537 1444.2488 1.2349 1450.6303 0.4036 1461.5059 67.2000 1509.7701 0.4139 1510.8430 11.3953 1513.9476 1.6599 1519.3670 6.9882 1525.3306 10.5859 1530.3264 1.1886 1539.4543 7.0185 1569.5249 13.2280 1633.6076 3.4307 3020.8419 70.2904 3023.2938 33.9059 3055.1480 15.0774 3060.8909 2.0236 3062.1866 67.1248 3075.9684 26.1939 3109.8080 3.5367 3125.0985 40.2330 3129.0030 16.0261 3129.4901 22.6887 3138.4165 29.8941 3240.7829 12.2891 3256.1214 9.6334 > 1.87580 GHz 1.81909 GHz 1.01197 GHz > Gaussian 09, Revision D.01 > Sonia Dermer $$$$