NIST 07161422523D 1 1.00000 -803.58847 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 13 13 0 0 0 0 0 0 0 0999 V2000 0.8349 1.4031 -0.3738 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3780 0.1637 -0.0436 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5474 1.5803 -0.4225 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6447 2.4315 -0.6463 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.0622 2.7740 -0.7404 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.3885 0.5072 -0.1380 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8347 -0.7250 0.1902 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7163 0.6603 -0.1800 F 0 0 0 0 0 0 0 0 0 0 0 0 0.5467 -0.9228 0.2444 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6324 -1.7801 0.4702 F 0 0 0 0 0 0 0 0 0 0 0 0 1.0941 -2.1219 0.5640 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7070 0.0137 -0.0019 F 0 0 0 0 0 0 0 0 0 0 0 0 0.3680 -2.7467 0.7313 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 2 1 0 0 0 0 1 3 2 0 0 0 0 2 12 1 0 0 0 0 2 9 2 0 0 0 0 3 5 1 0 0 0 0 6 8 1 0 0 0 0 6 3 1 0 0 0 0 7 10 1 0 0 0 0 7 6 2 0 0 0 0 9 11 1 0 0 0 0 9 7 1 0 0 0 0 11 13 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. > 2014-07-16 > 771-61-9 > B3LYP/6-31G* > 1.9336 debye > -803.588473000 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 135.9431 0.0671 138.5739 0.0074 185.8086 0.0024 211.9791 0.8486 259.5299 0.4063 262.7282 0.2788 272.9991 4.4964 310.4444 3.7100 315.4365 1.4129 356.0412 7.6147 373.3976 7.8630 389.5829 110.9891 445.8981 0.1088 449.7924 0.2374 515.3493 0.7338 568.3597 0.4770 593.4784 0.8897 597.7229 0.0564 609.9305 0.0802 777.7348 8.6176 992.9324 221.6510 1027.3455 216.6449 1170.0639 13.8554 1190.1168 8.9386 1284.9689 135.1692 1353.3897 0.6228 1376.4543 79.7389 1521.2273 14.6227 1553.6586 340.1363 1576.6795 254.6233 1688.9574 1.9772 1695.5530 4.4400 3727.7028 90.8154 > 1.03827 GHz 1.02199 GHz 0.51503 GHz > Gaussian 09, Revision D.01 > Ethan Ho $$$$