Benzene, 1,1'-(2,2-dichloroethylidene)bis[4-chloro- NIST 06201314153D 1 1.00000 -2380.29621 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 28 29 0 0 0 0 0 0 0 0999 V2000 6.2089 1.8599 -0.6037 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6986 0.5559 -0.4253 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8280 2.0628 -0.5019 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2366 2.9553 -0.9095 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9596 1.0004 -0.2341 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4763 -0.2793 -0.0624 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8492 -0.5121 -0.1555 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3909 -1.6198 0.2740 Cl 0 0 0 0 0 0 0 0 0 0 0 0 8.4342 3.6961 2.6628 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7981 3.8890 2.4468 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6107 3.3918 1.5808 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1305 3.2842 0.2842 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5054 3.4747 0.0986 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3446 3.7787 1.1704 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8454 4.2647 3.8082 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.6261 4.1944 -1.6091 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7791 5.3394 -0.4997 Cl 0 0 0 0 0 0 0 0 0 0 0 0 7.8880 5.0942 -2.5442 Cl 0 0 0 0 0 0 0 0 0 0 0 0 7.7681 0.3732 -0.4946 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4022 3.0529 -0.6199 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8890 2.5367 -1.6860 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8912 1.1720 -0.1586 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2433 -1.5140 -0.0228 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0242 3.7783 3.6637 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5518 3.2288 1.7533 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9322 3.3885 -0.8965 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4087 3.9234 1.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8856 3.8868 -2.3451 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 4 12 1 0 4 16 1 0 6 8 1 0 10 15 1 0 16 17 1 0 16 18 1 0 1 2 1 0 2 7 2 0 7 6 1 0 6 5 2 0 5 3 1 0 1 3 2 0 9 10 1 0 10 14 2 0 14 13 1 0 13 12 2 0 12 11 1 0 9 11 2 0 2 19 1 0 3 20 1 0 4 21 1 0 5 22 1 0 7 23 1 0 9 24 1 0 11 25 1 0 13 26 1 0 14 27 1 0 16 28 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 > 72-54-8 > Benzene, 1,1'-(2,2-dichloroethylidene)bis[4-chloro- Ethane, 1,1-dichloro-2,2-bis(p-chlorophenyl)- 1,1-Bis(4-chlorophenyl)-2,2-dichloroethane 1,1-Bis(p-chlorophenyl)-2,2-dichloroethane > B3LYP/6-31G* > 1.9063 debye > -2380.29620643 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 11.4969 0.0712 31.6865 0.1068 44.7464 0.0411 56.2106 0.7198 74.9362 0.0975 102.0391 0.8090 133.7130 0.0845 140.6702 0.7382 201.8416 0.7675 207.1556 0.1646 215.8014 0.8015 291.4206 0.3344 302.6542 0.1718 327.5724 1.1605 330.7006 0.1849 351.6786 1.4345 412.0813 7.4780 417.3911 1.7884 422.9308 0.0459 453.5674 11.6290 505.4309 10.3794 526.6390 17.5251 591.4008 21.3497 633.1303 23.1456 644.8809 0.8657 662.9082 21.5528 685.6190 13.0258 709.7113 11.7804 737.4474 9.1480 747.1367 9.5512 763.8960 98.3143 814.1014 26.7524 836.7694 10.0748 841.6882 3.7803 842.9529 3.8052 870.0498 35.4591 895.7108 9.6433 959.5102 0.8326 966.5306 0.6977 967.7214 0.5907 970.5900 0.0625 1012.6123 12.5705 1031.9376 46.8093 1033.4344 25.9149 1112.8804 64.8295 1116.0311 54.9681 1142.7681 3.0760 1148.5836 5.7587 1204.9289 0.7827 1209.6027 1.4474 1219.2855 0.8212 1224.6035 0.9212 1254.5766 2.5505 1271.8204 10.2240 1321.2339 11.4101 1325.2841 7.1096 1337.8347 0.7696 1342.4126 0.5335 1370.7070 3.9010 1374.1546 3.9010 1450.0024 10.5335 1455.0981 5.1351 1539.8621 79.6270 1541.6363 53.5195 1625.5046 2.0750 1629.7127 3.7939 1652.1625 13.9083 1655.3376 7.1397 3051.6667 4.8321 3167.1149 6.0768 3190.5776 6.8543 3200.2514 6.2236 3212.8324 3.3878 3216.7890 1.1365 3225.7607 4.4952 3226.0681 3.5634 3228.7308 1.5585 3230.3823 2.2011 > 0.34367 GHz 0.15933 GHz 0.12356 GHz > Gaussian 09, Revision D.01 > Michael Liou $$$$