NIST 08031215123D 1 1.00000 -164.66149 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 7 6 0 0 0 0 0 0 0 0999 V2000 0.0047 -0.0056 0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3056 0.7489 -0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4078 0.3269 -0.0001 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9527 3.0189 0.0002 I 0 0 0 0 0 0 0 0 0 0 0 0 0.2182 -1.0783 0.0001 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5767 0.2727 0.8838 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5771 0.2727 -0.8834 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 2 4 1 0 1 5 1 0 1 6 1 0 1 7 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 > 507-02-8 > B3LYP/GENECP > 3.3971 debye > -164.661488653 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 136.4773 0.3283 250.9792 21.5571 275.4857 4.5289 461.0381 0.5885 539.2894 142.3360 942.6189 91.0262 1044.3332 2.5614 1093.0385 166.5658 1402.3026 19.7322 1484.4807 13.5639 1486.6692 13.3440 1949.7727 489.6459 3071.3645 1.9831 3155.3528 0.0015 3166.5906 5.5232 > 10.02599 GHz 2.07667 GHz 1.73897 GHz > Gaussian 09, Revision C.01 > Alexander Yang $$$$