Benzenamine, 3,5-dichloro- NIST 06201314163D 1 1.00000 -1206.79382 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 6.3176 1.8597 -0.6839 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8656 0.6073 -0.3548 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9366 2.0124 -0.7138 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0028 -0.4645 -0.0651 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2442 0.4453 -0.2619 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6283 -0.2632 -0.1078 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0583 0.9675 -0.4304 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5645 -1.6167 0.2546 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.2694 3.5860 -1.1309 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.9640 2.7022 -0.9068 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4032 -1.4387 0.1956 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5825 -0.5031 -0.3616 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8005 1.1061 -0.7888 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9853 1.1049 -0.4602 H 0 0 0 0 0 0 0 0 0 0 0 0 2 5 1 0 3 9 1 0 6 8 1 0 1 2 1 0 2 4 2 0 4 6 1 0 6 7 2 0 7 3 1 0 1 3 2 0 1 10 1 0 4 11 1 0 5 12 1 0 5 13 1 0 7 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 > 626-43-7 > Benzenamine, 3,5-dichloro- Aniline, 3,5-dichloro- 3,5-Dichloroaniline 3,5-Dichlorobenzenamine > B3LYP/6-31G* > 3.5684 debye > -1206.79382039 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 151.5890 0.8549 194.7558 0.3014 205.8933 0.9927 226.3624 3.9344 256.5278 1.6531 312.5117 17.7758 394.0416 1.8479 428.6893 6.3069 479.5191 0.8591 535.6577 109.0931 539.9704 0.4026 555.8025 154.8286 602.6030 141.4389 678.2666 3.7255 804.7644 92.6087 826.3043 34.7844 841.4343 35.0497 842.8825 1.7360 952.0490 41.3875 1006.8723 5.8152 1103.1147 12.3291 1136.7203 26.4884 1148.5059 3.9825 1298.8973 0.2959 1321.5009 11.6185 1360.1665 18.7758 1495.1393 45.5753 1496.7924 47.1493 1619.7229 119.2869 1653.7376 180.0067 1696.3876 132.9027 3215.8761 1.4873 3216.6139 4.0890 3253.2271 1.1678 3563.3682 25.6342 3663.2693 13.7324 > 1.41227 GHz 0.84836 GHz 0.53022 GHz > Gaussian 09, Revision D.01 > Michael Liou $$$$