NIST 08031215043D 1 1.00000 -1210.34054 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 -3.8242 1.1514 1.1419 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1120 1.9828 1.2899 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6130 2.4989 -0.0670 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8026 1.3477 -1.0660 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5198 0.5104 -1.2187 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0507 -0.0002 0.1491 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8490 -0.8905 0.1964 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.2060 -2.4095 -0.7128 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.4374 -0.0998 -0.6005 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -3.5079 0.7450 2.1087 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0136 1.7940 0.7772 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8930 1.3656 1.7571 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9256 2.8194 1.9742 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5540 3.0480 0.0615 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8842 3.2151 -0.4736 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6224 0.6991 -0.7238 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1038 1.7365 -2.0462 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6920 -0.3338 -1.8946 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7285 1.1276 -1.6616 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8227 -0.6630 0.5648 H 0 0 0 0 0 0 0 0 0 0 0 0 6 7 1 0 7 8 1 0 7 9 1 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 1 6 1 0 1 10 1 0 1 11 1 0 2 12 1 0 2 13 1 0 3 14 1 0 3 15 1 0 4 16 1 0 4 17 1 0 5 18 1 0 5 19 1 0 6 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. > 2012-08-03 > 26307-01-7 > B3LYP/6-31G* > 2.9357 debye > -1210.34054243 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 86.0635 0.0139 101.2010 0.1840 174.8138 0.3136 221.6169 0.8540 230.0415 0.3676 261.1434 1.2328 326.7653 3.5738 341.6583 3.2764 437.8374 3.6126 440.0455 2.7405 492.7818 2.6486 571.0239 23.9660 588.2380 22.7946 670.2404 51.1440 800.5013 1.1694 806.9214 0.1664 851.2325 0.2074 906.5364 3.8335 915.2604 2.8062 935.5815 2.7124 946.8884 0.3371 1033.2319 4.9117 1049.7825 6.9711 1077.7340 1.3832 1097.6888 0.2697 1105.7772 1.5090 1180.3644 1.9628 1217.5977 2.9141 1281.9862 3.0168 1300.0976 2.7773 1301.4474 5.8433 1344.1660 2.7423 1349.0139 6.3041 1381.2279 0.0599 1384.0255 1.4792 1397.1808 16.1495 1401.9500 0.1615 1408.6404 1.8099 1514.4138 0.0388 1515.7694 2.7353 1520.0630 2.9810 1524.7545 11.8672 1538.3728 1.1837 3025.6399 16.7536 3028.5057 18.4370 3033.8590 34.9614 3041.4301 4.2191 3058.3238 2.6686 3062.7761 13.1914 3079.1198 52.7435 3081.6851 51.8122 3085.9632 42.6418 3108.1809 19.6750 3112.1212 28.5406 > 1.87845 GHz 0.71435 GHz 0.63046 GHz > Gaussian 09, Revision C.01 > Alexander Yang $$$$