NIST 06221402403D 1 1.00000 -599.41228 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 16 16 0 0 0 0 0 0 0 0999 V2000 6.4905 1.4419 -1.3552 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8017 0.1354 -0.9943 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3649 2.0984 -0.8321 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9914 -0.5592 -0.0919 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8778 0.0787 0.4321 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5681 1.3879 0.0677 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0719 -0.5524 1.3036 F 0 0 0 0 0 0 0 0 0 0 0 0 3.4587 1.9313 0.6290 F 0 0 0 0 0 0 0 0 0 0 0 0 5.1322 3.5184 -1.3018 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0399 4.1685 -0.8161 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9083 4.0454 -2.0906 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1040 2.0013 -2.0523 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6774 -0.3505 -1.4132 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2047 -1.5790 0.2115 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8894 5.1154 -1.1326 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3956 3.7448 -0.1681 H 0 0 0 0 0 0 0 0 0 0 0 0 3 9 1 0 5 7 1 0 6 8 1 0 9 10 1 0 9 11 2 0 1 2 1 0 2 4 2 0 4 5 1 0 5 6 2 0 6 3 1 0 1 3 2 0 1 12 1 0 2 13 1 0 4 14 1 0 10 15 1 0 10 16 1 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. > 2014-06-22 > 18355-75-4 > B3LYP/6-31G* > 1.5775 debye > -599.412283539 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 48.0295 3.9112 109.0816 0.2720 211.7659 99.4458 218.1945 12.3245 229.9078 143.7112 300.9109 5.1421 313.6671 1.4901 369.3812 0.2530 392.1807 5.7420 476.7020 0.0000 490.9278 0.3920 555.3429 0.0308 586.9007 11.6615 602.6268 11.3244 606.3612 3.7260 669.0157 0.1948 690.1023 16.3107 764.8532 42.3559 808.9344 22.0988 838.1319 18.6816 927.7042 0.0993 950.1081 25.6403 988.8482 1.0781 1089.1882 16.6769 1121.6660 3.4763 1182.9546 1.4463 1214.7145 13.8482 1246.1997 20.1189 1314.0531 80.6735 1358.1064 0.3559 1391.0379 263.5064 1507.9200 33.4598 1526.0257 128.4454 1638.6566 142.0996 1649.3176 78.6662 1672.1498 1.8474 1785.2888 291.6235 3209.7515 7.0208 3227.9378 2.0665 3239.8445 3.8625 3607.0193 44.9416 3739.1265 71.3913 > 1.89908 GHz 0.91254 GHz 0.61637 GHz > Gaussian 09, Revision D.01 > Ethan Ho $$$$