NIST 07251215413D 1 1.00000 -504.11869 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 14 15 0 0 0 0 0 0 0 0999 V2000 0.3025 -0.7113 -0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9198 -1.4458 -0.0006 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1041 -0.7302 -0.0006 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1031 0.6913 -0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9239 1.3850 0.0004 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2365 0.6645 0.0004 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5100 1.1483 0.0009 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2771 0.0976 0.0007 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5857 -1.0596 0.0001 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9051 -2.8748 -0.0011 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9291 -4.0371 -0.0015 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.0470 -1.2661 -0.0010 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0401 1.2356 -0.0001 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8206 2.4626 0.0008 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 9 2 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 2 10 1 0 0 0 0 3 4 1 0 0 0 0 3 12 1 0 0 0 0 4 5 2 0 0 0 0 4 13 1 0 0 0 0 5 6 1 0 0 0 0 5 14 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 10 11 3 0 0 0 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. > 2012-07-25 > 40306-97-6 > B3LYP/6-31G* > 7.4753 debye > -504.118694548 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 123.4096 0.8138 134.3397 3.4332 211.9214 2.7104 261.3555 0.0124 392.2595 0.3676 403.9115 6.3311 458.4055 0.7056 530.9888 1.1009 567.8221 0.7233 616.1678 1.5362 648.7811 0.5540 677.7940 2.2808 707.3676 0.0166 763.4973 26.8883 802.7348 23.5954 897.5887 3.8321 933.5528 0.9795 971.7618 1.0003 1013.4128 7.4695 1026.5691 8.9320 1084.9026 8.9682 1139.2918 16.0181 1174.3719 17.4768 1195.8694 0.4986 1277.7427 13.2949 1301.8000 10.8055 1371.4629 21.7360 1399.0497 18.5274 1468.9908 2.1936 1539.6548 36.1169 1603.6095 1.0688 1668.2286 20.2253 2358.3635 5.2127 3230.7531 1.3438 3243.8239 1.1115 3268.3456 2.8367 > 1.91786 GHz 1.16212 GHz 0.72364 GHz > Gaussian 09, Revision C.01 > Katherine Hafner $$$$