Benzenamine, 2,3,4,5-tetrachloro- NIST 06201314163D 1 1.00000 -2125.96844 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 14 14 0 0 0 0 0 0 0 0999 V2000 6.3241 1.8846 -0.6773 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8598 0.6307 -0.3590 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9316 2.0749 -0.7247 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3893 3.2151 -1.0215 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.0225 -0.4688 -0.0767 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5931 0.3825 -0.3074 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.6354 -0.2654 -0.1314 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5363 -1.6953 0.2955 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1041 0.9775 -0.4467 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3643 1.1326 -0.4893 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.2554 3.6277 -1.1190 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.9634 -1.0891 0.0846 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9230 -2.4894 0.1740 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4973 -1.8791 0.0412 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 2 6 1 0 3 11 1 0 5 8 1 0 9 10 1 0 1 2 1 0 2 5 2 0 5 7 1 0 7 9 2 0 9 3 1 0 1 3 2 0 7 12 1 0 8 13 1 0 8 14 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. > 2013-06-20 > 634-83-3 > Benzenamine, 2,3,4,5-tetrachloro- Aniline, 2,3,4,5-tetrachloro- 2,3,4,5-Tetrachloroaniline > B3LYP/6-31G* > 4.0108 debye > -2125.96844074 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 76.7921 0.6429 85.7818 0.5686 168.9404 2.2699 209.6047 0.0716 220.6901 0.1325 226.6868 0.1300 266.8379 0.7679 304.8824 1.6222 330.3218 8.8047 331.3776 5.4311 352.1917 0.5206 368.2677 8.8297 451.4583 2.8990 508.0068 346.4567 540.5644 7.8626 570.0525 37.4571 584.3792 2.6077 630.2724 7.3519 695.4470 2.8164 724.7274 57.6984 836.3248 37.9484 840.3170 25.5552 983.7235 3.4076 1081.2935 9.7291 1136.0405 39.1613 1204.8834 55.6721 1320.3635 10.8270 1322.3541 19.3453 1423.6038 79.0282 1476.7596 127.3859 1585.2735 29.4069 1629.1010 59.9498 1687.9899 180.5446 3219.4516 1.4756 3576.3774 46.4820 3680.7916 26.3736 > 0.85538 GHz 0.51675 GHz 0.32221 GHz > Gaussian 09, Revision D.01 > Michael Liou $$$$