NIST 08101209293D 1 1.00000 -948.85490 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 29 30 0 0 0 0 0 0 0 0999 V2000 5.4405 1.6804 0.8566 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6988 2.3134 -0.1516 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1595 1.5210 -1.2229 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3946 0.1368 -1.1554 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0872 -0.4949 -0.1115 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6387 0.3091 0.9007 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5199 3.6705 -0.0682 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4149 1.8046 -2.3342 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2360 3.0077 -3.0975 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2654 -1.9484 -0.1936 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4058 -2.9017 0.7807 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7801 -4.2784 0.4013 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1715 -5.1952 1.2388 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2541 -4.8572 2.6107 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5784 -3.7323 3.0873 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1918 -2.8167 2.2498 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8706 -5.5655 3.3546 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7239 -4.5483 -0.9237 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4766 -1.7827 2.7734 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8753 2.3010 1.6385 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2060 -1.1663 2.0705 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2560 -0.1169 1.6829 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9859 3.9926 0.7218 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7045 2.6617 -3.9863 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6495 3.7546 -2.5786 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2000 3.4367 -3.3929 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3096 -2.3299 -1.2120 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0216 -5.4733 -1.0033 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9916 -0.4588 -1.9700 H 0 0 0 0 0 0 0 0 0 0 0 0 5 10 1 0 10 11 2 0 2 7 1 0 3 8 1 0 14 17 2 0 12 18 1 0 8 9 1 0 16 19 1 0 1 6 2 0 6 5 1 0 5 4 2 0 4 3 1 0 3 2 2 0 1 2 1 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 1 0 15 16 2 0 11 16 1 0 1 20 1 0 4 21 1 0 6 22 1 0 7 23 1 0 9 24 1 0 9 25 1 0 9 26 1 0 10 27 1 0 18 28 1 0 19 29 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. > 2012-08-10 > 40367-32-6 > B3LYP/6-31G* > -948.854902334 hartree > 11.6658 debye > 0.9525206 GHz 0.1658617 GHz 0.1464910 GHz > Gaussian 09, Revision C.01 > Alexander Yang $$$$