NIST 08031215083D 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 3.0282 1.0815 1.4858 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2699 1.2632 1.5286 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1466 1.2990 0.8715 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2703 2.6586 0.1801 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0450 0.4873 0.1416 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1470 2.6943 -0.4770 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3887 2.8760 -0.4342 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3719 3.4702 0.9100 H 0 0 0 0 0 0 0 0 0 0 0 0 4 3 1 0 2 3 1 0 1 3 1 0 5 3 1 0 6 4 1 0 7 4 1 0 8 4 1 0 M ISO 5 2 2 5 2 6 2 7 2 8 2 M END > Collection (C) 2016 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. > 2012-08-03 > 3681-30-9 > B3LYP/6-31G* > 0.0000 debye > -79.8304209605 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 312.2804 0.0000 832.7365 4.6865 833.2471 4.6884 1010.5406 0.0000 1235.4829 0.0000 1235.9624 0.0000 1433.9402 0.2575 1455.4794 0.0000 1531.8702 0.0000 1532.3353 0.0000 1537.3663 7.4751 1538.0168 7.4731 3047.1518 0.0013 3048.0469 59.1400 3098.2156 0.0000 3098.2209 0.0000 3122.5580 73.9617 3122.5908 73.9375 > 80.19461 GHz 19.89369 GHz 19.89359 GHz > Gaussian 09, Revision C.01 > Alexander Yang $$$$