NIST 06201410553D 1 1.00000 -727.99012 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 11 10 0 0 0 0 0 0 0 0999 V2000 34.9400 30.0049 0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 33.6163 29.2682 0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 34.7262 31.5123 -0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 33.7963 27.9272 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 32.5218 29.7876 -0.0001 O 0 0 0 0 0 0 0 0 0 0 0 0 36.3191 32.3804 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 35.5180 29.6897 0.8765 H 0 0 0 0 0 0 0 0 0 0 0 0 35.5182 29.6894 -0.8759 H 0 0 0 0 0 0 0 0 0 0 0 0 34.1825 31.8409 -0.8859 H 0 0 0 0 0 0 0 0 0 0 0 0 34.1822 31.8412 0.8854 H 0 0 0 0 0 0 0 0 0 0 0 0 32.9041 27.5312 -0.0001 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 1 0 2 4 1 0 2 5 2 0 3 6 1 0 1 7 1 0 1 8 1 0 3 9 1 0 3 10 1 0 4 11 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. > 2014-06-20 > 107-94-8 > B3LYP/6-31G* > 2.1374 debye > -727.990117282 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 51.5847 1.3273 92.2777 2.4188 160.2833 4.0875 279.5896 0.0393 442.8217 14.5265 526.4480 23.7696 614.5162 72.4506 677.4354 97.8779 754.5548 33.4873 793.5521 17.2718 893.3677 12.7742 1038.2079 0.8139 1075.8871 6.1623 1170.7809 251.2755 1178.2663 1.8474 1286.3683 16.0911 1313.8414 0.1096 1352.2169 6.8727 1429.2982 112.3461 1493.9542 14.4823 1517.8075 2.7361 1842.7706 257.6740 3075.1708 4.7953 3111.4443 2.0010 3129.8978 9.9425 3189.5953 4.3940 3682.6135 51.1595 > 9.20119 GHz 1.15750 GHz 1.04142 GHz > Gaussian 09, Revision D.01 > Ethan Ho $$$$