NIST 06301516393D 1 1.00000 -297.56746 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 10 10 0 0 0 0 0 0 0 0999 V2000 0.6137 1.7926 0.7954 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0031 1.3744 0.7064 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1458 2.0892 0.7101 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1704 1.2656 0.6326 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6290 0.0165 0.5829 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3358 0.0652 0.6273 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0423 1.3159 -0.0034 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1953 1.5050 1.7635 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5651 2.8773 0.6832 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1900 3.1668 0.7651 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 7 1 0 0 0 0 1 8 1 0 0 0 0 1 9 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 3 10 1 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 2 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. > 2015-06-30 > 16681-77-9 > B3LYP/6-31G* > 5.8765 debye > -297.567458923 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 29.2033 0.1910 222.6771 0.0094 352.0892 1.3511 661.0145 6.5658 693.5068 8.3095 730.7177 0.9122 844.7890 11.5577 980.8481 7.9007 1035.9759 7.7828 1063.6300 2.1635 1125.5608 35.4178 1162.3438 2.0961 1201.3509 19.5288 1261.1929 2.1973 1331.6464 6.0519 1458.3270 1.6101 1471.9402 9.2573 1507.3879 10.1055 1528.1124 27.1493 1545.3699 12.8721 3084.9281 20.0277 3161.7257 6.8979 3178.0198 4.5465 3302.2750 0.2418 > 9.79451 GHz 3.79151 GHz 2.78171 GHz > Gaussian 09, Revision D.01 > Avi Newman $$$$