NIST 07061519423D 1 1.00000 -1664.46142 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 21 21 0 0 0 0 0 0 0 0999 V2000 -3.4560 0.3544 2.5073 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0860 1.3299 3.3463 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.4132 -0.4682 2.3375 F 0 0 0 0 0 0 0 0 0 0 0 0 -4.4610 -0.3331 3.0621 F 0 0 0 0 0 0 0 0 0 0 0 0 -3.8746 0.9678 1.1385 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7812 1.6613 0.6745 F 0 0 0 0 0 0 0 0 0 0 0 0 -5.0405 1.9900 1.2774 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2123 -0.1197 0.0774 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1043 1.3759 1.8510 F 0 0 0 0 0 0 0 0 0 0 0 0 -4.6499 3.0190 2.0577 F 0 0 0 0 0 0 0 0 0 0 0 0 -5.5073 2.5807 -0.0815 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2040 -0.9109 0.5552 F 0 0 0 0 0 0 0 0 0 0 0 0 -3.1202 -0.8747 -0.1623 F 0 0 0 0 0 0 0 0 0 0 0 0 -4.6815 0.4691 -1.2817 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6113 3.3251 0.1346 F 0 0 0 0 0 0 0 0 0 0 0 0 -4.5250 3.3715 -0.5703 F 0 0 0 0 0 0 0 0 0 0 0 0 -5.8304 1.4919 -1.1303 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0971 -0.5472 -2.0652 F 0 0 0 0 0 0 0 0 0 0 0 0 -3.6313 1.0853 -1.8708 F 0 0 0 0 0 0 0 0 0 0 0 0 -6.9437 0.8307 -0.7342 F 0 0 0 0 0 0 0 0 0 0 0 0 -6.0619 2.0790 -2.3221 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 8 1 0 0 0 0 7 9 1 0 0 0 0 7 10 1 0 0 0 0 7 11 1 0 0 0 0 8 12 1 0 0 0 0 8 13 1 0 0 0 0 11 15 1 0 0 0 0 11 16 1 0 0 0 0 11 17 1 0 0 0 0 14 18 1 0 0 0 0 14 19 1 0 0 0 0 14 8 1 0 0 0 0 17 20 1 0 0 0 0 17 21 1 0 0 0 0 17 14 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. > 2015-07-06 > 355-02-2 > B3LYP/6-31G* > 0.1290 debye > -1664.46142434 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 42.7634 0.0004 62.2015 0.1003 78.7787 0.1172 118.4708 0.0547 147.8999 0.1705 171.4257 0.5433 171.8853 2.3938 178.3838 0.1714 217.8947 0.1617 240.9542 0.2305 243.7058 0.7302 257.0038 1.0882 267.3017 0.0221 272.2931 1.9533 291.0956 4.5419 291.5300 0.7597 302.5956 0.0074 309.5518 3.1382 313.5039 0.7992 323.8337 0.1442 324.9342 0.0095 332.9157 0.5938 368.9540 0.0925 394.3103 1.3065 407.0169 3.2444 460.9452 13.6432 497.7820 15.9190 535.4345 6.7673 538.1078 1.1046 584.2897 6.4022 593.7968 0.2460 627.6633 1.1373 632.3654 17.9534 643.0803 25.5463 686.7051 2.6255 725.1700 43.5351 851.7802 0.7580 878.2967 131.6703 986.3731 269.7947 1040.5208 108.8762 1079.6138 7.7419 1158.1813 24.3929 1184.3528 42.4348 1189.4970 1.1293 1203.4543 2.1581 1206.3150 108.7755 1207.1693 24.9968 1222.6466 38.4700 1232.8884 89.6724 1246.4209 227.3642 1263.5613 76.1620 1288.6968 173.6654 1295.8898 305.9944 1324.1304 302.3810 1332.8416 63.4691 1340.7863 111.6503 1360.0783 36.3847 > 0.48802 GHz 0.32752 GHz 0.26677 GHz > Gaussian 09, Revision D.01 > Ashley Zhang $$$$