NIST 06201410123D 1 1.00000 -647.94445 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 9 8 0 0 0 0 0 0 0 0999 V2000 0.5628 1.3191 0.1209 F 0 0 0 0 0 0 0 0 0 0 0 0 0.3681 0.0232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5000 -0.6372 -0.1206 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.4073 -0.4750 1.2389 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5062 -0.2683 -1.2389 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1701 -1.2561 1.9675 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5205 0.0111 1.3525 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8263 -1.4401 -1.3521 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7516 0.6710 -1.9682 O 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 4 6 2 0 0 0 0 4 7 2 0 0 0 0 5 8 2 0 0 0 0 5 9 2 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. > 2014-06-20 > 1185-11-1 > B3LYP/6-31G* > 1.7900 debye > -647.944454490 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 44.4960 0.1773 58.9534 0.0853 168.0384 3.0075 262.5634 5.3952 268.5493 0.3925 354.6817 2.8952 381.7148 0.5673 443.8051 1.6823 485.3522 11.4114 609.6405 18.8698 695.3600 21.9505 773.3761 0.0086 805.6291 92.1386 861.7992 18.4782 1010.1506 23.6497 1243.0418 193.8413 1356.8013 155.2192 1386.8669 134.7582 1424.7120 13.3317 1726.3626 416.6559 1727.0951 101.5382 > 2.42005 GHz 1.53998 GHz 1.45409 GHz > Gaussian 09, Revision D.01 > Ethan Ho $$$$