NIST 08101209303D 1 1.00000 -689.61215 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 9 9 0 0 0 0 0 0 0 0999 V2000 -5.0227 -1.5170 -0.8568 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6362 -0.4963 -0.1929 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0009 -2.2687 -1.4349 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9873 -0.5726 -0.3297 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2168 -1.7314 -1.1405 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7604 -2.3363 -1.6520 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -4.9800 0.1900 0.3199 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6851 -3.1272 -2.0057 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7324 0.0925 0.0812 H 0 0 0 0 0 0 0 0 0 0 0 0 5 6 1 0 2 4 2 0 4 5 1 0 5 3 2 0 3 1 1 0 2 1 1 0 2 7 1 0 3 8 1 0 4 9 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. > 2012-08-10 > 50689-17-3 > B3LYP/6-31G* > 1.2573 debye > -689.612149971 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 249.7636 0.1218 294.0297 0.7086 476.2693 3.0246 610.1899 15.7391 624.0347 1.4533 717.1991 2.4512 771.8439 58.5271 842.5823 2.2124 882.6020 26.8034 947.4578 33.4975 1047.2963 15.0120 1101.1025 18.3447 1208.6034 8.1753 1228.0370 48.9811 1261.1641 2.7337 1411.4821 10.7202 1537.3253 5.2165 1614.8202 20.5278 3284.6369 0.1833 3308.6265 0.6312 3317.3947 0.5996 > 9.30276 GHz 2.00552 GHz 1.64984 GHz > Gaussian 09, Revision C.01 > Alexander Yang $$$$