Pyridine, 2,4,6-tris(trichloromethyl)- NIST 06281309173D 1 1.00000 -4502.50527 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 20 20 0 0 0 0 0 0 0 0999 V2000 3.1165 0.1807 -0.0779 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9870 -0.6346 -0.1016 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0514 -1.9634 -0.1394 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2451 -2.5367 -0.1623 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4458 -1.8155 -0.1446 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3767 -0.4269 -0.0988 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6171 0.4653 -0.0805 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5899 0.0043 -0.0509 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5740 1.5188 1.3890 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.6095 1.5170 -1.5525 Cl 0 0 0 0 0 0 0 0 0 0 0 0 7.1549 -0.4633 -0.0593 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.4547 1.2571 -1.3537 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.3931 0.8249 1.5557 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.7153 -1.1877 -0.2603 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.2973 -4.0723 -0.2099 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2088 -4.6703 1.2400 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.1972 -4.5792 -1.7014 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.6814 -4.8149 -0.2265 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.0197 1.2589 -0.0432 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3958 -2.3313 -0.1654 H 0 0 0 0 0 0 0 0 0 0 0 0 7 9 1 0 7 10 1 0 7 11 1 0 8 12 1 0 8 13 1 0 8 14 1 0 4 15 1 0 6 7 1 0 15 16 1 0 15 17 1 0 2 8 1 0 15 18 1 0 1 6 2 0 6 5 1 0 5 4 2 0 4 3 1 0 3 2 2 0 1 2 1 0 1 19 1 0 5 20 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. > 2013-06-28 > 6969-50-2 > Pyridine, 2,4,6-tris(trichloromethyl)- Nsc 68370 > B3LYP/6-31G* > 1.8454 debye > -4502.50527233 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 8.8663 0.0107 9.8930 0.0729 10.5860 0.0422 56.0991 0.5719 83.0561 0.1790 84.9091 0.1709 96.3919 0.0037 124.4400 0.4902 164.0091 0.7482 171.1206 0.9657 184.2276 1.1031 193.6362 0.1217 225.4372 0.1059 239.8924 0.1841 240.8977 1.6956 269.0374 0.7561 274.3305 0.5224 278.3847 1.0175 294.5078 0.0081 307.1670 1.9907 336.7722 3.5649 350.6506 9.2189 355.8143 5.2314 402.1160 0.3268 422.8862 8.6862 426.2856 1.8261 483.9494 0.2467 583.4044 0.8027 598.0826 0.1972 655.1062 100.7068 682.4757 101.9552 705.0403 286.2651 759.3302 165.7376 777.5985 22.0557 781.1304 45.6393 789.4181 120.2820 796.6083 108.3471 824.9374 36.0981 832.8636 9.4253 919.4220 0.8518 930.2226 0.0656 1007.9525 69.8613 1016.0052 44.1524 1016.5300 52.2202 1181.4348 45.2990 1238.6972 2.6080 1286.0620 0.3346 1336.0750 0.5045 1433.5357 66.5290 1474.9831 15.2086 1618.3058 29.8273 1637.3639 30.9405 3246.9082 1.3041 3266.7123 3.2907 > 0.18227 GHz 0.17239 GHz 0.10537 GHz > Gaussian 09, Revision D.01 > Michael Liou $$$$