NIST 07021516063D 1 1.00000 -1728.98164 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 21 21 0 0 0 0 0 0 0 0999 V2000 6.3201 1.8105 -0.8325 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9366 2.0146 -0.8479 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0577 1.0223 -0.4018 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5810 -0.1860 0.0689 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9610 -0.4098 0.0970 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8213 0.5943 -0.3580 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5108 -1.7109 0.6029 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6969 -2.9537 -0.7359 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.5746 1.2493 -0.4296 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9470 1.9364 1.1516 Cl 0 0 0 0 0 0 0 0 0 0 0 0 7.2535 2.8798 -1.3199 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8273 3.9720 0.0377 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.5384 2.9610 -1.2071 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9044 -0.9632 0.4173 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8959 0.4266 -0.3435 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5065 -1.5934 1.0319 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8530 -2.1726 1.3400 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2873 1.9698 -1.1963 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0229 0.3210 -0.5832 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1596 2.4610 -1.7596 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7740 3.5394 -2.0441 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 6 2 0 0 0 0 1 2 1 0 0 0 0 2 13 1 0 0 0 0 3 9 1 0 0 0 0 3 2 2 0 0 0 0 4 3 1 0 0 0 0 4 14 1 0 0 0 0 5 7 1 0 0 0 0 5 4 2 0 0 0 0 6 5 1 0 0 0 0 6 15 1 0 0 0 0 7 8 1 0 0 0 0 7 16 1 0 0 0 0 7 17 1 0 0 0 0 9 10 1 0 0 0 0 9 18 1 0 0 0 0 9 19 1 0 0 0 0 11 12 1 0 0 0 0 11 20 1 0 0 0 0 11 21 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. > 2015-07-02 > R131685 > B3LYP/6-31G* > 1.8292 debye > -1728.98163765 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 23.8924 1.8524 25.8039 1.9894 32.5613 0.1809 66.0175 3.1346 112.4967 0.7070 121.6210 4.2025 248.5252 3.4690 249.1733 3.8135 260.2624 0.0087 283.6883 1.8617 299.9003 4.6221 443.7365 0.0026 502.7377 0.3749 511.1911 0.2205 546.9528 18.6185 592.9433 51.1879 655.9959 82.7371 677.9585 56.2227 721.9292 7.6618 722.1496 14.9078 725.7351 43.8818 903.4137 3.3456 908.2942 3.2389 915.1950 5.3315 921.3556 0.0072 922.7027 0.2861 954.2414 0.0053 1007.0962 7.4445 1008.6558 8.2277 1018.2193 0.0533 1179.7808 0.0254 1187.0194 6.0456 1187.6867 8.6953 1204.6414 10.9698 1205.2617 10.7449 1309.3239 5.1169 1313.2404 107.6909 1313.6880 44.0886 1338.1601 2.6863 1342.5499 0.0200 1370.8076 0.0127 1506.1695 4.1725 1506.3409 3.7455 1516.5216 2.8073 1516.6239 4.8574 1518.1824 0.1667 1660.5929 0.3967 1661.1455 0.4166 3116.1420 4.4259 3116.3175 23.6632 3118.5371 13.0889 3175.6169 3.0767 3175.7103 1.0353 3178.3515 1.4335 3185.6714 10.9702 3186.8840 10.1547 3188.1785 1.3874 > 0.48101 GHz 0.41488 GHz 0.24077 GHz > Gaussian 09, Revision D.01 > Avi Newman $$$$