NIST 06091419063D 1 1.00000 -1786.93967 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 11 9 0 0 0 0 0 0 0 0999 V2000 7.5414 0.2046 -2.4886 K 0 0 0 0 0 0 0 0 0 0 0 0 9.6677 -0.6138 1.4562 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5411 -0.7762 -0.5109 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1427 -0.1903 0.4288 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1238 1.7929 -1.3246 Cl 0 0 0 0 0 0 0 0 0 0 0 0 7.5453 2.1202 0.1268 Cl 0 0 0 0 0 0 0 0 0 0 0 0 9.9797 2.1139 1.4014 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2594 1.4023 0.2802 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4594 1.8998 2.3377 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9897 1.7051 1.4779 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0217 3.1926 1.2320 H 0 0 0 0 0 0 0 0 0 0 0 0 4 2 1 0 4 3 2 0 8 4 1 0 8 5 1 0 8 6 1 0 8 7 1 0 7 9 1 0 7 10 1 0 7 11 1 0 M CHG 2 1 1 2 -1 M END > Collection (C) 2016 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. > 2014-06-09 > B6003239 > B3LYP/6-31G* > 9.5166 debye > -1786.93967459 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 60.6971 1.5423 69.6811 8.3369 97.8084 15.5761 182.7413 11.5559 190.4334 3.8124 259.8162 10.4452 276.5270 0.2052 291.6942 24.3123 315.2005 5.8577 320.0862 2.9760 397.4280 6.8257 530.2119 16.5485 547.6433 173.3113 673.5707 62.9615 795.5304 8.2720 819.4177 69.5273 1085.4067 57.0125 1086.1199 48.8319 1159.6717 4.0905 1339.5463 240.7775 1433.2029 23.1835 1497.9906 9.6846 1499.3180 2.8723 1819.4124 431.6704 3083.3406 5.3114 3166.0801 9.3669 3171.0410 2.2507 > 1.37609 GHz 0.90522 GHz 0.82512 GHz > Gaussian 09, Revision D.01 > Sonia Dermer $$$$