NIST 06301516253D 1 1.00000 -1878.85427 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 -0.0308 2.0633 2.1796 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.1671 1.1064 1.2507 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3256 0.1802 -0.0329 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.0089 -0.0292 2.3529 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.3642 2.2116 0.5030 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 5 1 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. > 2015-06-30 > 56-23-5 > B3LYP/6-31G* > 0.0011 debye > -1878.85427316 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 218.7926 0.0000 218.8301 0.0000 315.9307 0.1629 316.0441 0.1648 316.1201 0.1656 451.3891 0.0000 748.3710 203.0486 749.4558 202.9169 750.0230 202.9019 > 1.68659 GHz 1.68657 GHz 1.68646 GHz > Gaussian 09, Revision D.01 > Avi Newman $$$$