NIST 07061519003D 1 1.00000 -1156.27414 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 20 19 0 0 1 0 0 0 0 0999 V2000 0.8232 0.1965 0.0288 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3372 0.3613 0.0185 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0714 -0.2243 1.2353 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6122 -0.1448 1.1925 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2880 -1.5025 0.9413 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8150 -1.3892 0.8994 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4446 0.6917 2.7130 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.9864 -0.4593 -1.4990 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.3938 0.5951 -0.8940 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3932 0.7365 0.8767 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5478 -0.8602 0.1094 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6185 1.4107 -0.0978 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7390 -1.2525 1.3997 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9717 0.2520 2.1467 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9171 0.5738 0.4217 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9240 -1.9311 0.0011 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9928 -2.1986 1.7391 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1409 -0.7294 0.0863 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2787 -2.3687 0.7388 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2111 -0.9819 1.8377 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 9 1 0 0 0 0 1 10 1 0 0 0 0 1 11 1 0 0 0 0 2 8 1 0 0 0 0 2 3 1 0 0 0 0 2 12 1 6 0 0 0 3 7 1 0 0 0 0 3 4 1 0 0 0 0 3 13 1 1 0 0 0 4 5 1 0 0 0 0 4 14 1 0 0 0 0 4 15 1 0 0 0 0 5 6 1 0 0 0 0 5 16 1 0 0 0 0 5 17 1 0 0 0 0 6 18 1 0 0 0 0 6 19 1 0 0 0 0 6 20 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. > 2015-07-06 > 57732-05-5 > B3LYP/6-31G* > 0.2654 debye > -1156.27414136 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 50.5324 1.9579 69.8098 0.2306 78.5483 0.0876 174.7471 1.7922 195.4217 4.1706 236.2789 0.0252 247.7105 0.6233 264.7695 0.1860 313.8602 1.3520 342.0746 0.9963 360.3184 5.5104 391.0364 3.1078 515.6283 0.4997 642.8787 83.1696 720.0133 2.9832 753.9747 19.3789 857.1684 1.8863 911.2626 0.9392 921.1066 2.7951 1006.6088 14.6476 1051.9306 2.1409 1072.6301 1.5087 1079.0522 7.0676 1128.8418 7.2022 1138.9716 1.6468 1190.5926 0.8019 1239.1885 32.9827 1273.3283 2.9063 1289.0211 8.8607 1322.0757 0.6542 1355.2727 0.9642 1359.5836 0.2222 1407.9273 1.3003 1418.8791 1.3703 1440.8195 1.1351 1442.5660 9.3633 1516.3876 3.5504 1520.6246 4.0092 1523.2645 8.3949 1524.3737 0.7093 1528.0043 6.9415 1539.9994 4.8740 3036.6529 15.8400 3044.1423 27.4796 3063.5337 22.2646 3071.1172 8.9605 3089.5407 1.1281 3105.9894 4.6878 3110.1135 0.9399 3116.8995 37.1130 3120.9166 53.0962 3124.3652 8.6219 3147.5459 19.2095 3154.8279 9.3122 > 1.34499 GHz 1.02983 GHz 0.61478 GHz > Gaussian 09, Revision D.01 > Avi Newman $$$$