NIST 06131416023D 1 1.00000 -1916.10816 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 21 23 0 0 0 0 0 0 0 0999 V2000 -1.4314 -0.3581 -0.2025 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1502 -0.0659 -0.6876 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9276 -0.7153 -0.0931 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7694 -1.6348 0.9554 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5018 -1.9319 1.4443 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5738 -1.2828 0.8500 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7841 0.0704 -0.5146 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6163 -0.6344 0.3774 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9965 -0.5044 0.4033 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5615 0.3772 -0.5135 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7669 1.0984 -1.4194 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3746 0.9531 -1.4295 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8913 -1.4537 1.2043 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3741 1.8408 -2.5479 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -5.5666 2.1832 -2.5343 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.5526 -0.3734 -0.6751 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.0048 0.6378 -1.4950 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6437 -2.1129 1.3828 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6492 -2.6387 2.2535 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6044 -1.0639 1.1052 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6359 0.5205 -0.5404 H 0 0 0 0 0 0 0 0 0 0 0 0 12 14 1 0 11 15 1 0 3 16 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 13 1 0 13 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 7 2 0 8 7 1 0 7 1 1 0 6 1 1 0 1 2 2 0 3 2 1 0 2 17 1 0 4 18 1 0 5 19 1 0 9 20 1 0 10 21 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. > 2014-06-13 > R29378 > B3LYP/6-31G* > 2.9944 debye > -1916.10815846 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 52.6073 0.0149 86.4421 0.0008 108.3501 0.0769 133.5242 0.3490 183.0416 1.2590 205.5770 0.0111 239.6616 0.4436 266.4814 0.2910 306.7749 0.1866 338.0472 0.0023 365.5019 0.9949 382.7328 2.1015 389.4291 2.5202 441.1971 1.6010 473.1774 8.7060 520.2498 1.1365 541.7192 3.1211 574.8605 2.7848 591.9550 3.5860 609.0821 0.8132 676.0485 7.2982 692.4926 71.3804 723.0411 0.0215 727.5901 4.2212 754.0803 0.2330 818.3352 12.7039 824.6374 53.2063 835.4411 15.0958 888.8655 9.1920 894.5144 10.8478 941.5033 0.0101 946.1485 0.0763 951.3442 30.6617 1053.2531 82.7340 1094.3627 61.6290 1144.7072 11.6424 1149.6413 2.9448 1185.1400 15.3625 1226.5849 12.8447 1261.1040 105.4335 1287.9049 9.4819 1302.7243 41.2465 1347.5289 13.1527 1370.0744 5.9158 1438.0670 11.8225 1464.8426 104.9900 1494.9601 58.8958 1505.9747 79.0601 1616.6867 7.8941 1632.3287 5.0800 1638.6186 0.7307 1677.0647 1.2071 3223.6818 0.6224 3226.2798 0.1244 3236.4011 2.2713 3239.6586 1.3455 3256.2250 0.6687 > 0.75440 GHz 0.22995 GHz 0.17623 GHz > Gaussian 09, Revision D.01 > Sonia Dermer $$$$