NIST 07021515263D 1 1.00000 -231.22859 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 11 11 0 0 0 0 0 0 0 0999 V2000 0.0195 1.7063 0.6592 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2137 1.7414 0.8033 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2368 2.8830 0.9452 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3659 1.8069 0.9671 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3085 0.6625 0.8916 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2442 3.5875 0.1060 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1143 3.4579 1.8706 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0310 1.8492 0.1010 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9755 1.8047 1.8738 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3600 0.0012 0.0195 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2247 0.0371 1.7881 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 6 1 0 0 0 0 3 7 1 0 0 0 0 4 5 1 0 0 0 0 4 8 1 0 0 0 0 4 9 1 0 0 0 0 5 2 1 0 0 0 0 5 10 1 0 0 0 0 5 11 1 0 0 0 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. > 2015-07-02 > 1191-95-3 > B3LYP/6-31G* > 2.7796 debye > -231.228589531 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 25.1570 4.0400 404.1188 1.2379 455.8783 3.1937 638.8911 0.0010 673.9087 1.0098 747.4348 4.4635 840.9464 1.7318 933.0734 0.5362 960.1173 0.0262 974.6546 1.6328 1091.9422 93.7103 1109.4099 0.7048 1206.9299 1.6955 1233.2029 0.1086 1235.5219 0.2209 1258.7425 2.9141 1287.1601 8.6434 1459.3428 14.6646 1473.8802 1.0607 1525.2459 0.4335 1891.8709 267.8098 3067.7579 16.7406 3071.8757 8.2858 3097.5694 25.5911 3113.0549 6.1695 3118.9977 0.4237 3148.4064 30.0395 > 10.79207 GHz 4.76957 GHz 3.52947 GHz > Gaussian 09, Revision D.01 > Avi Newman $$$$