NIST 07011509353D 1 1.00000 -193.15570 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 10 9 0 0 0 0 0 0 0 0999 V2000 2.1157 0.6938 0.9398 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0891 0.5266 2.0490 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4712 1.0737 3.4153 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0188 -0.0157 1.8536 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0632 0.2139 1.2158 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3343 1.7568 0.7770 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7376 0.2532 0.0153 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3824 0.5849 3.7830 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6564 0.9065 4.1225 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6902 2.1472 3.3532 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 5 1 0 0 0 0 1 6 1 0 0 0 0 1 7 1 0 0 0 0 2 3 1 0 0 0 0 2 4 2 0 0 0 0 3 8 1 0 0 0 0 3 9 1 0 0 0 0 3 10 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. > 2015-07-01 > 67-64-1 > B3LYP/6-31G* > 2.8154 debye > -193.155695550 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 61.2236 0.0002 140.7395 0.0981 375.9691 1.2201 486.9391 0.3652 532.0337 14.6622 786.2879 0.9277 895.7701 6.6110 897.5864 0.0959 1095.8705 0.0015 1131.1123 4.2394 1245.5067 79.0031 1410.9604 15.1580 1413.1713 52.6538 1490.6909 0.3077 1495.4727 0.1877 1499.0958 23.0611 1516.6154 19.2272 1824.0295 151.8126 3044.8019 1.5140 3051.8418 7.4775 3101.1066 0.0116 3108.4003 23.5892 3166.1704 11.7759 3166.9647 9.2868 > 10.09196 GHz 8.44916 GHz 4.87658 GHz > Gaussian 09, Revision D.01 > Avi Newman $$$$