NIST 07251215393D 1 1.00000 -1273.77098 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 15 14 0 0 0 0 0 0 0 0999 V2000 1.2687 0.2573 -0.2049 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3921 -0.7676 -0.2182 F 0 0 0 0 0 0 0 0 0 0 0 0 0.7391 1.2259 0.5666 F 0 0 0 0 0 0 0 0 0 0 0 0 1.3590 0.7316 -1.4653 F 0 0 0 0 0 0 0 0 0 0 0 0 3.0375 -0.0942 0.4314 P 0 0 0 0 0 0 0 0 0 0 0 0 2.4127 -1.2160 2.1553 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.5772 -1.1951 -0.7166 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8661 -2.3914 -1.1783 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0332 -1.2968 -0.8738 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7893 -2.2522 -1.1119 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1452 -3.2696 -0.5794 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1332 -2.5836 -2.2239 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5153 -0.3817 -0.5210 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2740 -1.4278 -1.9355 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4425 -2.1510 -0.3160 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 4 1 0 0 0 0 1 3 1 0 0 0 0 1 2 1 0 0 0 0 5 7 1 0 0 0 0 5 6 1 0 0 0 0 7 9 1 0 0 0 0 7 8 1 0 0 0 0 8 10 1 0 0 0 0 8 11 1 0 0 0 0 8 12 1 0 0 0 0 9 13 1 0 0 0 0 9 14 1 0 0 0 0 9 15 1 0 0 0 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. > 2012-07-25 > 3135-63-5 > B3LYP/6-31G* > 3.7126 debye > -1273.77097910 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 44.5094 0.4109 69.5869 0.1853 101.5919 3.2776 132.9170 2.2645 159.2523 0.3700 186.6465 2.8772 216.4294 0.3509 272.1709 0.5037 286.9939 5.9618 305.0313 2.7339 333.1654 3.9748 410.3192 8.1115 443.8674 101.7050 481.4777 17.4904 533.5523 1.4923 547.7461 13.5315 686.9265 34.6170 738.2928 2.6476 1003.0772 149.5644 1085.1308 12.0645 1130.1427 3.9433 1171.2392 259.7683 1178.0514 22.7783 1186.9379 177.0732 1187.5882 197.7592 1215.4641 22.3720 1320.4550 31.7230 1471.2388 0.6583 1499.8547 3.2794 1508.7430 3.7724 1524.0480 16.7886 1529.7944 14.5913 1548.0714 4.2840 3027.0058 42.1417 3035.9045 57.1512 3090.1044 34.5837 3096.7390 17.6974 3144.8943 11.0418 3208.3590 1.2166 > 1.38092 GHz 1.01029 GHz 0.77421 GHz > Gaussian 09, Revision C.01 > Katherine Hafner $$$$