NIST 07011509303D 1 1.00000 -79.83042 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 8 7 0 0 0 0 0 0 0 0999 V2000 0.5397 1.7666 -0.0025 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7166 0.8980 0.6425 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4899 0.0005 0.0551 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0078 0.9452 1.4640 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1541 0.8745 1.1659 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3313 0.0053 1.8100 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8785 0.8284 0.3444 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3805 1.7715 1.7542 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 8 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 > 74-84-0 > B3LYP/6-31G* > 0.0000 debye > -79.8304218516 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 314.8517 0.0000 832.5784 4.7232 833.4334 4.7204 1010.9991 0.0000 1235.3421 0.0000 1236.1525 0.0000 1434.0909 0.2484 1455.6744 0.0000 1532.4665 0.0000 1532.6573 0.0000 1538.0052 7.4882 1538.3804 7.4924 3047.0878 0.0046 3047.9741 59.2596 3097.7980 0.0001 3098.0638 0.0001 3122.1834 74.0432 3122.4203 74.0443 > 80.23088 GHz 19.89240 GHz 19.89232 GHz > Gaussian 09, Revision D.01 > Avi Newman $$$$