NIST 06201420173D 1 1.00000 -767.06096 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 13 13 0 0 0 0 0 0 0 0999 V2000 1.1519 1.5004 -0.3961 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6971 0.2640 -0.0651 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2317 1.6932 -0.4503 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0587 0.6109 -0.1630 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5434 -0.6407 0.1717 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8061 0.8157 -0.2202 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.8442 -0.8089 0.2193 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4228 -2.0039 0.5391 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8129 2.3337 -0.6171 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7699 0.1079 -0.0214 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6573 2.6562 -0.7082 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2145 -1.4667 0.3908 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7294 -2.6593 0.7124 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 2 0 0 0 0 1 9 1 0 0 0 0 2 7 2 0 0 0 0 2 10 1 0 0 0 0 3 11 1 0 0 0 0 4 6 1 0 0 0 0 4 3 1 0 0 0 0 5 4 2 0 0 0 0 5 12 1 0 0 0 0 7 8 1 0 0 0 0 7 5 1 0 0 0 0 8 13 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. > 2014-06-20 > 108-43-0 > B3LYP/6-31G* > 1.1023 debye > -767.060955885 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 184.3570 0.3093 234.1312 1.1136 247.5873 2.5449 355.9718 123.2961 407.3898 5.9873 447.8525 9.5281 451.9008 5.3036 535.6979 1.8077 582.2812 0.0401 686.4311 6.1286 698.5720 7.5223 784.5574 32.9689 834.4849 29.4065 884.7058 0.7074 901.6296 72.9579 971.2972 0.3990 1012.0450 8.6270 1097.6699 12.1491 1120.7594 33.8485 1192.4866 15.1128 1211.4062 126.9859 1298.3016 77.5667 1352.6021 3.5079 1366.9184 18.8237 1491.6173 57.3836 1538.7504 55.4670 1644.8942 99.8338 1662.8615 78.4523 3198.3929 11.2204 3199.7034 3.0600 3224.1004 5.4945 3233.3879 2.5885 3753.0746 44.8713 > 3.43709 GHz 1.18319 GHz 0.88019 GHz > Gaussian 09, Revision D.01 > Ethan Ho $$$$