NIST 08061217043D 1 1.00000 -1294.99322 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 5 3 0 0 0 0 0 0 0 0999 V2000 -0.2175 1.0296 0.7918 Cr 0 0 0 0 0 0 0 0 0 0 0 0 1.8255 -1.2712 0.0116 B 0 0 0 0 0 0 0 0 0 0 0 0 -0.3096 2.6281 0.5743 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8682 -0.3664 0.2678 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7409 -2.1387 -0.2403 O 0 0 0 0 0 0 0 0 0 0 0 0 2 5 1 0 0 0 0 2 4 1 0 0 0 0 2 3 1 0 0 0 0 M CHG 4 1 3 3 -1 4 -1 5 -1 M END > Collection (C) 2016 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. > 2012-08-06 > B8025678 > B3LYP/6-31G* > -1294.99322291 hartree > 4.5812 debye > 36.1949984 GHz 1.3133338 GHz 1.2694197 GHz > Gaussian 09, Revision C.01 > Katherine Hafner $$$$