NIST 07251215393D 1 1.00000 -612.17899 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 5 4 0 0 0 0 0 0 0 0999 V2000 1.0103 0.0714 0.0707 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3508 0.9676 -0.6371 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2429 1.7590 -1.2623 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7590 0.0569 0.0821 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.4919 -0.6731 0.6587 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 2 2 0 0 0 0 1 5 1 0 0 0 0 2 3 2 0 0 0 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. > 2012-07-25 > 29804-89-5 > B3LYP/6-31G* > 1.2627 debye > -612.178988369 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 183.7592 3.6323 495.3473 81.0661 502.3706 2.1165 582.6714 7.3763 811.7691 8.4238 1155.5219 5.0086 1341.6184 13.0363 2240.9602 498.9619 3267.0246 25.5370 > 36.61861 GHz 2.94210 GHz 2.72329 GHz > Gaussian 09, Revision C.01 > Katherine Hafner $$$$