NIST 08101209293D 1 1.00000 -355.10946 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 12 11 0 0 0 0 0 0 0 0999 V2000 1.0478 1.4939 -0.0019 B 0 0 0 0 0 0 0 0 0 0 0 0 2.2307 2.1462 0.0978 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3236 3.5649 0.1041 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0621 0.1395 0.0006 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1254 -0.6361 -0.0988 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1141 2.1752 -0.1013 F 0 0 0 0 0 0 0 0 0 0 0 0 2.9353 3.8839 -0.7466 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3406 4.0411 0.0391 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8174 3.8821 1.0286 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2269 -1.2482 0.8038 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0159 -0.0103 -0.2108 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0404 -1.3010 -0.9647 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 1 4 1 0 4 5 1 0 1 6 1 0 3 7 1 0 3 8 1 0 3 9 1 0 5 10 1 0 5 11 1 0 5 12 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. > 2012-08-10 > 367-46-4 > B3LYP/6-31G* > 1.0735 debye > -355.109463317 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 59.4784 0.1109 65.3217 0.5199 107.1549 7.9275 146.7709 0.0010 199.3744 4.5872 288.2850 15.2108 450.6034 1.2267 552.8179 0.9406 656.3449 53.1818 786.8880 3.9442 1038.8628 77.0266 1156.0796 68.3884 1200.3553 0.0142 1206.1239 0.6937 1213.6151 25.9072 1215.7041 33.3692 1401.5628 139.2620 1437.9164 767.4531 1531.8191 1.9573 1532.2509 4.4161 1533.5244 11.1174 1534.6188 24.2955 1537.6207 6.2767 1560.1305 305.7946 3051.6153 114.4564 3053.8193 2.8328 3119.3160 2.4922 3119.5443 70.0032 3134.5806 17.1396 3135.2985 37.8089 > 9.01455 GHz 2.14503 GHz 1.77148 GHz > Gaussian 09, Revision C.01 > Alexander Yang $$$$