[1,1'-Biphenyl]-4-ol, 3,4'-dichloro- NIST 06291323153D 1 1.00000 -1457.71579 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 23 24 0 0 0 0 0 0 0 0999 V2000 6.2601 1.9812 -0.4243 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2712 3.4287 -0.3690 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.7952 0.7478 -0.0721 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9201 2.1187 -0.8153 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0004 -0.4077 -0.1029 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3558 3.3004 -1.1648 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1260 0.9661 -0.8452 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6573 -0.2688 -0.4967 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5651 -1.7280 0.2697 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7992 -2.6676 0.9802 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8808 -2.0798 -0.0755 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3195 -3.9107 1.3335 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4179 -3.3167 0.2745 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6299 -4.2261 0.9780 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2975 -5.7914 1.4226 Cl 0 0 0 0 0 0 0 0 0 0 0 0 7.8289 0.6966 0.2525 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0269 4.0020 -1.0965 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0916 1.0660 -1.1582 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0242 -1.1489 -0.5564 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7881 -2.4152 1.2861 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4888 -1.3870 -0.6502 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7194 -4.6235 1.8891 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4329 -3.5779 -0.0055 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 4 6 1 0 5 9 1 0 14 15 1 0 1 3 1 0 3 5 2 0 5 8 1 0 8 7 2 0 7 4 1 0 1 4 2 0 9 10 1 0 10 12 2 0 12 14 1 0 14 13 2 0 13 11 1 0 9 11 2 0 3 16 1 0 6 17 1 0 7 18 1 0 8 19 1 0 10 20 1 0 11 21 1 0 12 22 1 0 13 23 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. > 2013-06-29 > 53905-31-0 > [1,1'-Biphenyl]-4-ol, 3,4'-dichloro- 3,4'-Dichloro-4-biphenylol 4-Hydroxy-3,4'-dichlorobiphenyl > B3LYP/6-31G* > 1.2332 debye > -1457.71579046 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 48.1639 0.1137 53.5617 0.0372 72.9442 0.1833 141.7145 0.2239 173.2312 0.1164 211.2778 0.1378 244.7397 0.0608 267.4273 2.6295 295.2484 0.9492 341.0307 1.4114 393.2678 0.0499 421.8636 1.8445 423.6987 117.1012 442.5161 0.6549 450.1965 0.8561 463.6805 27.2704 504.6145 14.4990 543.2906 9.5988 605.8497 0.5727 637.8004 0.1595 649.7444 0.2138 706.6700 12.3753 712.9049 5.1035 731.8113 3.9463 768.4077 50.7877 834.7971 64.4190 840.2432 0.4383 851.2742 6.6914 873.6786 5.6107 898.3839 8.1402 959.5275 0.5194 964.5189 0.3336 966.2225 0.0075 1026.8155 21.5898 1054.6199 39.4072 1066.6254 6.9445 1113.6930 60.9937 1142.6348 3.2522 1167.7654 0.7607 1217.1692 2.8799 1226.0122 164.4222 1287.4440 36.0482 1311.1251 4.4059 1327.1271 58.6791 1334.9038 9.6076 1342.6472 63.0475 1387.4425 29.5739 1432.0274 5.4153 1467.2799 3.2268 1530.9589 261.9063 1557.3828 39.2260 1613.1859 7.9778 1630.7304 15.0309 1651.8573 0.3092 1664.5952 46.0674 3198.7181 7.1458 3199.1913 10.1041 3205.2578 3.6745 3221.0759 2.8812 3222.7226 3.5217 3223.9455 7.5569 3225.2727 1.4366 3695.4114 93.1501 > 1.45046 GHz 0.17952 GHz 0.16250 GHz > Gaussian 09, Revision D.01 > Michael Liou $$$$