NIST 07251211063D 1 1.00000 -504.41847 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 15 15 0 0 0 0 0 0 0 0999 V2000 5.9558 3.2295 0.5900 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6757 2.4806 -0.4344 N 0 0 0 0 0 0 0 0 0 0 0 0 7.9027 2.5156 -0.0452 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1931 3.1996 1.1697 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7655 2.4866 1.2437 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4547 1.3134 0.6444 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1871 2.9679 2.2032 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0354 3.6109 1.5645 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5467 4.7988 -2.6417 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7121 4.5747 -3.7113 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5220 4.1325 0.1343 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7133 2.0438 -0.5930 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6634 0.7854 0.9838 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9681 1.0104 -0.1719 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8804 4.1615 2.4870 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 5 6 1 0 5 7 2 0 8 9 1 0 9 10 3 0 2 3 2 0 2 1 1 0 4 8 1 0 4 3 1 0 1 8 1 0 1 11 1 0 3 12 1 0 6 13 1 0 6 14 1 0 8 15 1 0 M CHG 2 4 -1 9 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. > 2012-07-25 > 121514-72-5 > B3LYP/6-31G* > -504.418466125 hartree > 2.2367 debye > 1.5079685 GHz 0.8404527 GHz 0.6535291 GHz > Gaussian 09, Revision C.01 > Daniel Du $$$$