NIST 07011509303D 1 1.00000 -170.83155 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 7 6 0 0 0 0 0 0 0 0999 V2000 1.1411 0.8447 0.1562 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5645 0.9641 0.0684 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1971 2.1438 0.0660 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0140 0.7237 0.2266 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1156 0.0289 0.0025 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2792 2.1916 -0.0019 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6577 3.0835 0.1313 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 4 3 0 0 0 0 2 3 2 0 0 0 0 2 5 1 0 0 0 0 3 6 1 0 0 0 0 3 7 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 > 107-13-1 > B3LYP/6-31G* > 3.8830 debye > -170.831552281 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 237.2101 2.8335 355.9703 0.7071 577.4756 0.0316 713.2170 11.2967 889.7655 1.2494 980.3474 30.2235 1008.3584 21.7796 1118.9591 3.4546 1332.1728 0.3803 1463.1361 5.3972 1696.6241 0.4963 2349.6536 7.5100 3183.8702 0.8451 3195.6110 1.5559 3274.3352 3.1908 > 50.60885 GHz 4.92877 GHz 4.49136 GHz > Gaussian 09, Revision D.01 > Avi Newman $$$$