Benzenamine, 4-chloro-N-(phenylmethylene)- NIST 11071316233D 1 1.00000 -1016.34842 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 25 26 0 0 0 0 0 0 0 0999 V2000 7.1293 2.8610 -0.7668 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7747 3.9458 -1.3499 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2138 1.7327 -0.5649 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7105 4.9700 -1.5655 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2610 6.2972 -1.4638 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1292 7.3647 -1.6681 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4575 7.1077 -2.0113 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9212 5.8007 -2.1537 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5566 8.4528 -2.2924 Cl 0 0 0 0 0 0 0 0 0 0 0 0 9.0490 4.7376 -1.9291 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6717 0.5868 0.1037 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8232 -0.5001 0.3099 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5065 -0.4507 -0.1506 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0410 0.6886 -0.8181 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8859 1.7728 -1.0261 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1468 2.7233 -0.3699 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2209 6.4738 -1.2080 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7803 8.3876 -1.5736 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9501 5.6177 -2.4454 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4005 3.7198 -2.0711 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6982 0.5516 0.4625 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1879 -1.3824 0.8284 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8428 -1.2963 0.0088 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0157 0.7258 -1.1761 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5424 2.6637 -1.5416 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 1 3 1 0 2 4 1 0 7 9 1 0 3 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 3 15 2 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 2 0 8 10 1 0 4 10 2 0 1 16 1 0 5 17 1 0 6 18 1 0 8 19 1 0 10 20 1 0 11 21 1 0 12 22 1 0 13 23 1 0 14 24 1 0 15 25 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. > 2013-11-07 > 780-21-2 > Benzenamine, 4-chloro-N-(phenylmethylene)- Aniline, N-benzylidene-p-chloro- (Benzylidene)(4-chlorophenyl)amine 4-Chloro-N-(benzylidene)aniline > B3LYP/6-31G* > 3.2124 debye > -1016.34841575 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 40.6003 0.2211 42.7108 0.0172 58.0300 0.0254 115.6395 0.0322 155.9433 4.0490 187.8070 1.7860 256.2332 4.0216 277.9820 6.5801 315.1846 0.7682 374.2060 3.9662 417.7129 0.1533 425.8356 12.9394 427.7970 5.6821 476.0943 3.5698 522.9561 2.1544 545.8729 12.0620 602.4009 0.8978 632.7790 0.0351 647.7422 0.3047 699.4884 30.6984 706.3986 21.8530 722.1682 7.7311 777.0090 21.9706 828.0565 12.7129 842.3769 13.3711 846.2957 26.1305 864.7339 0.0529 897.8620 13.8268 936.5137 1.5342 952.6064 0.3982 965.5097 0.3369 979.5677 0.1979 1002.8740 0.4786 1017.2363 1.7575 1019.2600 3.8375 1027.8356 29.5469 1054.0636 2.5943 1108.6472 66.7671 1111.3690 10.1073 1136.7123 7.6417 1193.5588 1.4174 1199.0726 26.6761 1204.9429 12.7152 1225.7038 41.7772 1278.5345 0.6958 1326.1666 1.5359 1329.9386 2.7795 1349.1412 14.1564 1369.3122 2.0173 1423.6574 7.5795 1449.9262 3.9768 1499.2916 8.7972 1531.6708 93.9825 1544.9254 19.8808 1616.4011 0.3507 1634.5739 28.8445 1642.2973 2.3119 1662.1014 7.2850 1704.8415 152.0668 3027.3629 42.7453 3178.5386 6.7391 3188.4030 0.2364 3199.5572 24.2716 3201.9020 6.1991 3211.0159 33.6076 3211.3509 2.6360 3222.1078 5.6642 3224.8461 6.1367 3227.3718 4.8738 > 2.64446 GHz 0.16913 GHz 0.16121 GHz > Gaussian 09, Revision D.01 > Katherine Hafner $$$$