NIST 06241416333D 1 1.00000 -825.81228 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 20 20 0 0 0 0 0 0 0 0999 V2000 6.2863 1.8630 -0.6306 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9055 2.0497 -0.6719 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0648 0.9657 -0.4204 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5843 -0.2950 -0.1358 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9694 -0.4639 -0.1046 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8374 0.6067 -0.3444 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3396 0.4193 -0.2720 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0347 1.1719 -1.3130 N 0 0 0 0 0 0 0 0 0 0 0 0 10.4840 1.0206 -1.2559 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3186 1.1929 -0.4702 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.9539 2.6947 -0.8330 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4836 3.0240 -0.8952 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9179 -1.1306 0.0503 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3772 -1.4493 0.1092 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7104 0.7912 0.6953 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5732 -0.6633 -0.2869 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6940 0.8656 -2.2230 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9395 1.5615 -2.0916 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8585 1.4651 -0.3260 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8346 -0.0279 -1.2889 H 0 0 0 0 0 0 0 0 0 0 0 0 6 7 1 0 7 8 1 0 8 9 1 0 3 10 1 0 1 6 2 0 6 5 1 0 5 4 2 0 4 3 1 0 3 2 2 0 1 2 1 0 1 11 1 0 2 12 1 0 4 13 1 0 5 14 1 0 7 15 1 0 7 16 1 0 8 17 1 0 9 18 1 0 9 19 1 0 9 20 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. > 2014-06-24 > 104-11-0 > B3LYP/6-31G* > 2.7789 debye > -825.812277682 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 45.0155 0.9246 85.8481 0.9322 101.6075 1.9043 166.1749 0.4327 252.9077 0.9805 270.5518 1.6176 294.1354 0.6837 331.8535 0.9942 388.4671 3.1577 422.1376 0.2307 458.2015 8.6456 516.3222 8.8474 647.1898 0.7231 674.8788 10.8588 718.1528 7.8830 800.9748 88.5487 829.2749 29.9632 844.0590 5.1085 850.8452 17.1351 957.4203 1.2347 977.1085 2.5729 985.5719 4.7171 1010.4591 10.8092 1032.4886 37.4789 1108.7980 44.9010 1136.2275 6.4649 1143.2571 20.0831 1166.9379 19.7030 1196.4918 13.7154 1208.5397 0.0352 1231.0467 0.8873 1287.3250 5.5329 1332.9515 1.2086 1342.1384 4.6823 1403.8388 28.9082 1452.3851 9.8707 1483.9394 1.3355 1504.8080 27.0015 1519.2261 10.9828 1535.1316 39.2270 1540.6719 20.8020 1547.1675 13.6803 1631.2775 1.3738 1655.9127 6.3863 2932.6250 61.2352 2957.4395 123.9991 3023.3074 29.5048 3074.6121 41.3532 3123.2574 32.2006 3183.8428 12.6637 3210.9632 1.3314 3222.9828 6.9926 3225.2225 2.3789 3487.1357 0.2347 > 4.33010 GHz 0.45116 GHz 0.41649 GHz > Gaussian 09, Revision D.01 > Ethan Ho $$$$