NIST 07251211083D 1 1.00000 -129.54807 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 14 17 0 0 0 0 0 0 0 0999 V2000 56.6324 50.5100 -1.2136 H 0 0 0 0 0 0 0 0 0 0 0 0 57.1068 49.4855 -0.4690 B 0 0 0 0 0 0 0 0 0 0 0 0 55.5060 49.8974 -0.9763 B 0 0 0 0 0 0 0 0 0 0 0 0 54.5974 47.6850 0.7447 B 0 0 0 0 0 0 0 0 0 0 0 0 55.6543 48.5073 -0.2198 B 0 0 0 0 0 0 0 0 0 0 0 0 54.7643 47.6057 1.9311 H 0 0 0 0 0 0 0 0 0 0 0 0 53.1253 39.9954 3.1856 H 0 0 0 0 0 0 0 0 0 0 0 0 52.5476 40.1295 3.6319 H 0 0 0 0 0 0 0 0 0 0 0 0 56.7372 47.9927 -1.2627 B 0 0 0 0 0 0 0 0 0 0 0 0 57.7270 48.8171 -1.4678 H 0 0 0 0 0 0 0 0 0 0 0 0 57.0396 47.0530 -1.9183 H 0 0 0 0 0 0 0 0 0 0 0 0 58.0138 49.9825 0.1263 H 0 0 0 0 0 0 0 0 0 0 0 0 54.6992 50.6700 -1.3717 H 0 0 0 0 0 0 0 0 0 0 0 0 53.6271 47.1370 0.3044 H 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 3 1 1 0 10 2 1 0 2 5 1 0 2 12 1 0 6 3 1 0 3 5 1 0 3 13 1 0 5 4 1 0 4 6 1 0 4 7 1 0 4 8 1 0 9 5 1 0 5 14 1 0 7 9 1 0 9 10 1 0 9 11 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. > 2012-07-25 > 19624-22-7 > B3LYP/6-31G* > -129.548069244 hartree > 2.4059 debye > 7.2225977 GHz 1.6998758 GHz 1.5191796 GHz > Gaussian 09, Revision C.01 > Daniel Du $$$$