NIST 08031215053D 1 1.00000 -1116.96366 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 17 16 0 0 0 0 0 0 0 0999 V2000 0.3419 18.5825 0.0514 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3108 19.7710 -0.0276 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6043 21.1275 -0.1181 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1716 21.5136 1.1431 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8666 22.4195 -0.4878 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.9477 22.8187 1.0056 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9401 23.1403 2.4945 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.9011 17.6416 0.0192 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2450 18.5823 0.9758 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3579 18.5803 -0.7931 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9461 19.6609 -0.9130 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9805 19.7754 0.8412 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0565 21.1448 -0.9908 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8809 20.7061 1.3597 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5170 21.5773 1.9930 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2860 23.6755 0.8818 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6501 22.7853 0.1694 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 3 5 1 0 4 6 1 0 6 7 1 0 1 8 1 0 1 9 1 0 1 10 1 0 2 11 1 0 2 12 1 0 3 13 1 0 4 14 1 0 4 15 1 0 6 16 1 0 6 17 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. > 2012-08-03 > 30122-12-4 > B3LYP/6-31G* > 2.7046 debye > -1116.96366042 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 68.2367 2.3463 97.8691 0.7697 107.4515 1.7720 142.3220 1.8015 200.8444 0.7204 238.2617 0.0446 289.5463 3.4871 358.5947 5.0799 411.2861 7.3771 438.6341 3.9547 662.9762 31.4654 737.8001 42.7607 788.0342 4.5672 807.8751 12.0841 912.6271 12.7220 975.8584 10.0782 1016.3100 3.0956 1046.3757 2.1310 1080.5767 4.3659 1135.8351 4.5436 1140.2244 1.8569 1189.5041 4.9666 1275.4459 3.6447 1281.9801 33.5831 1314.0179 9.1541 1339.5274 4.4299 1371.9582 6.1704 1387.7438 13.0606 1415.3607 8.3071 1445.0011 1.6903 1507.7472 2.1631 1519.0107 1.5365 1521.4380 2.5854 1530.8676 5.4097 1538.8738 7.1619 3052.3719 14.3408 3061.6451 13.4076 3066.8954 10.1496 3086.7764 6.8048 3100.2737 1.1234 3107.3806 8.3566 3116.7793 12.3685 3121.8905 48.4512 3129.9662 38.7042 3181.9217 5.7902 > 2.19464 GHz 0.83531 GHz 0.62862 GHz > Gaussian 09, Revision C.01 > Alexander Yang $$$$