NIST 08031215013D 1 1.00000 -1155.07135 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 18 18 0 0 0 0 0 0 0 0999 V2000 -3.4824 0.2411 2.7014 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -3.8663 1.0395 1.1011 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4125 2.0489 0.6332 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -5.0854 1.9488 1.2790 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0960 -0.0458 0.0463 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5777 2.5266 -0.0593 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5888 0.5396 -1.2883 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8323 1.4202 -1.0933 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8753 1.3295 1.7237 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8505 2.7404 1.9963 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1794 -0.6282 -0.0847 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8573 -0.7234 0.4541 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4950 3.0990 0.1240 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8357 3.2350 -0.4473 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8070 -0.2881 -1.9738 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7851 1.1275 -1.7478 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6724 0.7941 -0.7578 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1346 1.8616 -2.0505 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 1 0 4 6 1 0 6 8 1 0 8 7 1 0 7 5 1 0 2 5 1 0 4 9 1 0 4 10 1 0 5 11 1 0 5 12 1 0 6 13 1 0 6 14 1 0 7 15 1 0 7 16 1 0 8 17 1 0 8 18 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 > 2108-92-1 > B3LYP/6-31G* > 2.8929 debye > -1155.07135096 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 137.2913 0.2024 191.7858 0.0218 241.4650 1.5765 254.8628 1.4531 310.0307 0.8245 360.0884 8.3375 381.1992 1.3670 391.7150 2.3224 466.4404 0.5973 513.9926 8.1411 564.2221 31.1735 740.5002 93.0838 797.8387 0.8575 832.3411 13.2016 884.3748 9.9917 901.6914 24.2821 911.2105 3.0555 955.3550 1.6741 1024.8863 29.6471 1043.6050 1.1483 1084.3772 0.3960 1105.6796 1.2777 1163.5224 19.4224 1169.5550 2.6717 1239.4515 1.1508 1289.6253 9.6676 1306.7193 10.4833 1312.6424 2.0022 1367.3433 0.3704 1384.2398 0.4517 1392.5077 5.3200 1403.5256 0.0089 1406.7800 0.4630 1502.5992 3.1458 1512.4343 2.1594 1518.0818 5.6308 1520.7674 11.3487 1534.2060 2.0093 3026.1873 25.6483 3053.9916 4.2680 3056.3673 6.6971 3057.1802 31.2237 3059.6895 14.8639 3082.4572 44.5971 3095.3448 20.4714 3100.3814 46.6002 3122.3473 13.3433 3124.0523 15.2987 > 2.00040 GHz 1.08862 GHz 0.99051 GHz > Gaussian 09, Revision C.01 > Alexander Yang $$$$