NIST 08031215023D 1 1.00000 -525.25764 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 17 17 0 0 0 0 0 0 0 0999 V2000 6.2028 1.8166 -0.0323 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5795 0.4852 0.1384 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9825 2.1274 -0.6365 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7430 -0.5501 -0.2972 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5202 -0.2300 -0.8986 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1471 -1.9915 -0.1116 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1404 1.1016 -1.0686 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7432 -2.4839 1.2311 N 0 0 0 0 0 0 0 0 0 0 0 0 6.6445 -1.8409 2.1129 F 0 0 0 0 0 0 0 0 0 0 0 0 6.2323 -3.8137 1.2442 F 0 0 0 0 0 0 0 0 0 0 0 0 6.8615 2.6116 0.3064 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5249 0.2441 0.6158 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6902 3.1653 -0.7711 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8630 -1.0277 -1.2369 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6178 -2.6472 -0.8084 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2253 -2.1477 -0.2213 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1899 1.3369 -1.5394 H 0 0 0 0 0 0 0 0 0 0 0 0 4 6 1 0 6 8 1 0 8 9 1 0 8 10 1 0 1 2 1 0 2 4 2 0 4 5 1 0 5 7 2 0 7 3 1 0 1 3 2 0 1 11 1 0 2 12 1 0 3 13 1 0 5 14 1 0 6 15 1 0 6 16 1 0 7 17 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. > 2012-08-03 > 23162-99-4 > B3LYP/6-31G* > 2.7084 debye > -525.257635738 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 32.5772 0.5218 87.3565 0.4448 102.2213 0.9786 257.7299 1.4979 326.6712 0.8255 339.0233 1.9052 415.6824 0.0690 455.0739 0.8924 511.4772 2.8307 545.8119 11.5067 622.9280 13.3892 636.3389 0.0875 710.8808 25.5663 764.2381 30.1958 842.7827 63.5230 854.8719 16.8037 859.1695 7.0924 915.4784 26.8101 956.9477 45.6548 967.0624 0.0514 998.9036 1.1447 1008.0263 22.3811 1019.8029 0.3644 1044.3025 25.1778 1059.2982 1.3744 1122.8305 3.4284 1194.8692 0.0161 1216.0864 0.1527 1236.4769 4.0895 1267.0061 2.1740 1363.2582 1.0813 1370.7491 2.2485 1378.1078 8.1237 1503.9114 7.2536 1506.9259 4.5992 1548.7145 4.9093 1647.3717 0.4519 1667.1189 0.0353 3078.5405 13.0084 3138.9368 5.7000 3181.9426 4.3903 3188.8253 1.1218 3198.3061 16.3651 3206.8037 30.3485 3214.5536 11.4326 > 3.37756 GHz 0.73904 GHz 0.64958 GHz > Gaussian 09, Revision C.01 > Alexander Yang $$$$