NIST 07251215403D 1 1.00000 -943.63544 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 0.5786 0.9025 -0.1154 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8894 0.2765 0.3847 P 0 0 0 0 0 0 0 0 0 0 0 0 -0.1341 -1.0312 -0.5194 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0106 -0.3015 -0.7612 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0551 -0.5438 -1.3140 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3084 -2.4608 -0.6401 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2401 2.1918 -0.0893 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2429 0.2717 -0.4401 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.1416 -0.5776 1.6989 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.3150 1.6340 1.1411 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.2484 -2.6922 -1.1514 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3052 -2.9534 0.3400 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5218 -2.8506 -1.2354 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7414 2.9173 -0.7401 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2602 2.0322 -0.4489 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2736 2.5857 0.9291 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 4 1 0 0 0 0 1 7 1 0 0 0 0 2 3 1 0 0 0 0 2 10 1 0 0 0 0 2 9 1 0 0 0 0 2 8 1 0 0 0 0 3 4 1 0 0 0 0 3 6 1 0 0 0 0 4 5 2 0 0 0 0 6 11 1 0 0 0 0 6 12 1 0 0 0 0 6 13 1 0 0 0 0 7 14 1 0 0 0 0 7 15 1 0 0 0 0 7 16 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. > 2012-07-25 > 32707-12-3 > B3LYP/6-31G* > 0.5115 debye > -943.635435693 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 49.9063 0.5501 74.7697 0.3777 84.1876 1.4985 122.6134 0.1270 133.7724 10.3824 178.9073 0.8242 203.9141 0.5889 227.6868 1.1004 244.7248 0.6750 324.8554 20.7662 404.4314 0.6873 441.9516 7.5853 459.4570 19.1577 469.9692 14.0599 595.5739 33.0851 627.9181 2.6150 738.3035 12.8235 756.5895 29.7129 842.9912 80.3757 897.6492 97.4813 944.7393 187.9858 962.6240 347.0295 984.7507 15.6505 1161.8479 0.1349 1170.2247 8.4230 1207.9567 18.2561 1238.9015 47.2892 1378.8741 547.4571 1423.4655 34.9325 1473.9585 25.4187 1478.3958 28.2092 1514.5189 6.7883 1517.3212 8.1407 1539.0165 8.8970 1544.3414 6.4844 1902.4644 416.3221 3047.6267 58.3862 3066.1345 39.1674 3110.3235 24.1764 3136.6120 14.5033 3147.0885 5.8137 3159.7469 5.2285 > 1.51878 GHz 1.23239 GHz 0.82529 GHz > Gaussian 09, Revision C.01 > Katherine Hafner $$$$