NIST 08031215073D 1 1.00000 -179.05642 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 8 7 0 0 0 0 0 0 0 0999 V2000 -0.0002 9.9997 0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3026 9.2236 -0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3785 10.1081 0.0001 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.8544 9.3128 -0.0001 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0683 10.6366 0.8880 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0683 10.6370 -0.8875 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3873 8.5867 -0.8899 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3873 8.5862 0.8894 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 1 5 1 0 1 6 1 0 2 7 1 0 2 8 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 > 353-36-6 > B3LYP/6-31G* > 1.7154 debye > -179.056421480 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 266.7126 0.6043 406.0457 5.5166 820.5269 0.5639 904.8740 11.8351 1081.2316 58.8368 1146.1903 35.3416 1206.2182 4.8943 1311.4664 0.0001 1428.2510 2.9124 1456.3254 33.3787 1513.1191 4.2959 1529.2906 1.9474 1557.4539 0.3435 3042.6321 49.7641 3058.4683 9.8709 3080.8347 39.2116 3128.1528 29.2086 3138.6967 38.6687 > 36.10287 GHz 9.34025 GHz 8.18589 GHz > Gaussian 09, Revision C.01 > Alexander Yang $$$$