NIST 07241410293D 1 1.00000 -1471.53617 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 19 19 0 0 0 0 0 0 0 1 V2000 7.4859 2.7617 -1.0845 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4534 1.8303 -0.7363 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3253 3.5156 -1.3677 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6654 -2.1846 0.9354 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0407 -2.3498 0.4610 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.2261 -0.8169 0.5127 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8973 -2.3537 2.7173 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.5483 -0.9885 0.2683 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5941 0.2005 0.4353 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7683 0.4793 -0.5083 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1229 2.2600 -0.6217 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7637 -0.4170 -0.1729 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1070 1.3671 -0.2860 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4433 0.0291 -0.0637 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2274 -2.9912 0.4705 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7955 0.1416 -0.5946 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8799 3.3026 -0.7979 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9834 -1.4635 0.0089 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0852 1.7042 -0.1994 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 3 0 4 5 1 0 4 6 1 0 4 7 1 0 6 8 1 0 6 9 2 0 8 14 1 0 2 10 1 0 10 12 2 0 12 14 1 0 14 13 2 0 13 11 1 0 2 11 2 0 4 15 1 0 10 16 1 0 11 17 1 0 12 18 1 0 13 19 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. > 2014-07-24 > U307587 > B3LYP/6-31G* > 3.3731 debye > -1471.53616808 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 6.0358 0.5733 24.2400 0.1609 43.0029 2.2258 85.8920 2.5019 116.5483 2.1215 157.2106 3.8265 181.1356 3.4839 211.7546 2.3536 277.6685 2.5190 293.2170 0.1131 319.5984 1.1545 353.0863 3.8834 417.3845 0.0069 466.4471 7.3799 483.0214 0.0288 557.1787 0.3508 568.6387 18.6445 630.1536 45.2829 653.6351 6.2813 690.8283 13.1530 726.1534 1.1744 747.6700 43.3852 786.4059 9.8948 809.0336 65.4205 844.8080 3.6420 851.8142 25.5705 865.9295 57.2805 957.3087 20.8945 970.8765 0.0160 984.9612 0.5319 1038.4219 6.5789 1145.5924 18.2544 1157.0134 250.6434 1200.5538 203.0122 1225.4557 33.9895 1248.0759 324.4061 1263.7403 53.5215 1323.7029 131.8687 1342.5751 45.9905 1347.8313 33.3125 1457.2150 10.4319 1547.2835 112.8085 1624.6044 8.1172 1661.9751 42.4189 1860.5744 206.7758 2350.2714 30.7401 3182.6678 3.4835 3220.4241 1.9162 3223.3195 1.5956 3234.0179 1.2876 3292.4133 5.6366 > 1.72986 GHz 0.20197 GHz 0.19175 GHz > Gaussian 09, Revision D.01 > Emily Jin $$$$