NIST 08031215073D 1 1.00000 -1418.42940 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 21 21 0 0 0 0 0 0 0 0999 V2000 6.2730 1.9053 -0.1255 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0399 3.0417 0.3601 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7299 0.6031 0.1220 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0656 2.1963 -0.8070 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7709 4.2046 0.4283 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3915 2.7241 0.8447 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9180 -0.4379 -0.3477 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5806 -0.2992 1.2570 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.3138 1.1271 -1.2647 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4038 1.4880 -1.0483 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1881 1.8059 0.3957 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7257 -0.1937 -1.0373 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8239 1.4277 -2.1381 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.7440 3.2213 -0.9704 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2153 -1.4714 -0.1783 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0877 0.6461 -1.1476 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4862 1.2933 -1.5960 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8845 2.3780 -1.4906 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0328 1.6647 1.0686 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8783 -0.9319 2.0529 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1097 -1.0121 -1.4019 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 5 2 0 2 6 1 0 3 8 1 0 6 11 1 0 9 13 1 0 10 11 1 0 1 3 1 0 3 7 2 0 7 12 1 0 12 9 2 0 9 4 1 0 1 4 2 0 4 14 1 0 7 15 1 0 10 16 1 0 10 17 1 0 10 18 1 0 11 19 1 0 11 20 1 0 12 21 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 > 35112-27-7 > B3LYP/6-31G* > -1418.42940103 hartree > 4.8369 debye > 1.0401847 GHz 0.3752964 GHz 0.3031110 GHz > Gaussian 09, Revision C.01 > Alexander Yang $$$$