NIST 07081521003D 1 1.00000 -2761.26665 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 22 23 0 0 0 0 0 0 0 0999 V2000 -2.5777 -0.4564 1.1604 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2189 -0.1528 1.2038 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5497 0.1548 0.0142 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2432 0.1563 -1.2010 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6016 -0.1519 -1.2091 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2900 -0.4619 -0.0376 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9076 0.4914 0.0411 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3484 1.8173 0.1754 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7032 2.1437 0.1989 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6530 1.1361 0.0875 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2538 -0.1933 -0.0468 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8891 -0.5144 -0.0699 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3874 -2.1770 -0.2412 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -3.4197 -0.8421 2.6511 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.4848 -1.4228 -0.1840 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.1844 3.1212 0.3211 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -3.4732 -0.1509 -2.7324 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.6895 -0.1558 2.1498 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7327 0.3939 -2.1273 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3466 -0.6997 -0.0573 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0083 3.1786 0.3039 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7108 1.3739 0.1042 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 14 1 0 0 0 0 2 18 1 0 0 0 0 3 7 1 0 0 0 0 3 2 2 0 0 0 0 4 3 1 0 0 0 0 5 4 2 0 0 0 0 5 6 1 0 0 0 0 6 1 2 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 8 16 1 0 0 0 0 9 21 1 0 0 0 0 10 22 1 0 0 0 0 10 9 2 0 0 0 0 11 10 1 0 0 0 0 12 11 2 0 0 0 0 12 7 1 0 0 0 0 13 12 1 0 0 0 0 15 11 1 0 0 0 0 17 5 1 0 0 0 0 19 4 1 0 0 0 0 20 6 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. > 2015-07-08 > 68194-10-5 > B3LYP/6-31G* > 2.3887 debye > -2761.26665029 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 9.5004 0.0435 44.7882 0.0984 48.0696 0.0243 94.6879 0.7271 109.3684 0.1107 145.5955 0.0017 164.8120 0.3662 205.4605 0.0115 209.5136 0.9553 212.2814 0.1333 247.3498 0.0419 275.3068 0.6791 283.9722 0.0577 310.3438 0.0123 332.9323 0.0154 400.8449 6.3890 426.0583 1.3525 433.2497 6.1359 445.4126 2.4841 478.4133 3.2643 536.9005 0.0066 544.9131 1.0982 556.5013 25.5055 599.4323 1.1988 634.3429 4.9953 685.6720 11.0506 711.1934 28.9325 739.5480 3.8034 807.8013 56.2413 811.6213 86.3326 824.1751 31.8966 872.4683 20.2009 878.5304 1.2859 896.4824 0.0243 897.4002 0.0071 955.4299 0.0715 1012.4885 2.1525 1073.2710 67.5042 1133.5902 16.8118 1137.3296 0.7271 1144.9747 16.0238 1171.9518 1.5252 1202.1454 60.2795 1281.0997 6.2050 1285.4658 0.3587 1299.5248 0.1624 1339.2833 0.0122 1408.1280 61.6027 1451.0171 42.8467 1462.9075 85.5512 1490.7681 15.5597 1601.0201 6.6237 1612.2027 110.2179 1615.9197 1.5441 1641.9879 55.2306 3225.3055 0.2338 3232.0416 0.0127 3232.6341 0.0437 3238.8606 0.5256 3246.4803 0.5098 > 0.37972 GHz 0.16697 GHz 0.15928 GHz > Gaussian 09, Revision D.01 > Avi Newman $$$$