NIST 07091508243D 1 1.00000 -563.95239 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 25 25 0 0 0 0 0 0 0 0999 V2000 6.1042 1.7569 -0.9470 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4512 1.0935 0.2397 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0020 1.2740 -1.6686 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9046 2.9421 -1.4433 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7206 0.0005 0.7064 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6291 -0.4358 -0.0343 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2568 0.1827 -1.2214 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9168 -1.4958 0.4067 F 0 0 0 0 0 0 0 0 0 0 0 0 6.4444 4.3427 -0.9609 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3906 5.2234 -1.5939 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0287 4.6817 -1.4467 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5512 4.4901 0.5628 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3145 1.4320 0.8070 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7239 1.7548 -2.6029 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9541 2.8350 -1.1453 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8948 2.9670 -2.5392 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9896 -0.5160 1.6222 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4061 -0.1945 -1.7797 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1595 6.1295 -1.3336 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7549 5.7007 -1.1429 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2811 3.9995 -1.0291 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9789 4.6308 -2.5397 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8778 3.8036 1.0863 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5773 4.2959 0.8934 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2862 5.5114 0.8667 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 5 2 0 0 0 0 2 13 1 0 0 0 0 3 14 1 0 0 0 0 4 9 1 0 0 0 0 4 15 1 0 0 0 0 4 16 1 0 0 0 0 5 6 1 0 0 0 0 5 17 1 0 0 0 0 6 8 1 0 0 0 0 6 7 2 0 0 0 0 7 3 1 0 0 0 0 7 18 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 12 1 0 0 0 0 10 19 1 0 0 0 0 11 20 1 0 0 0 0 11 21 1 0 0 0 0 11 22 1 0 0 0 0 12 23 1 0 0 0 0 12 24 1 0 0 0 0 12 25 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. > 2015-07-09 > 2928-17-8 > B3LYP/6-31G* > 1.7284 debye > -563.952392063 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 36.5053 0.5293 73.1979 0.4973 79.0375 0.1058 188.2658 0.3795 241.4077 0.4251 261.5302 0.4816 267.9248 2.1244 303.9338 85.0191 308.1887 19.4864 348.4344 0.8550 364.1442 0.0699 384.8374 0.4151 425.3068 1.3960 430.7157 1.3997 464.0336 11.3576 476.6283 5.0989 514.6833 20.7880 568.7233 12.0414 651.9613 0.0238 704.3864 0.1062 756.6369 6.5897 792.7205 3.7232 831.8825 0.0464 846.0516 40.5580 872.8372 22.3183 901.6103 0.0061 924.0798 29.3448 947.1490 0.0525 950.1983 5.0434 958.8744 0.0226 998.6462 1.1121 1034.0175 0.6710 1037.1051 2.8307 1116.1360 0.4518 1148.0307 132.4046 1151.0124 14.9731 1192.2267 11.2442 1212.6462 10.0826 1235.4773 1.3764 1282.5903 107.5438 1301.8136 6.7666 1333.6837 0.9441 1362.4657 4.4689 1364.9094 3.1628 1382.0415 34.4254 1426.4353 11.5816 1443.3200 10.2146 1460.5825 1.6776 1512.1078 1.1254 1514.5321 0.5505 1517.3745 0.1169 1534.8947 10.1862 1539.1359 8.6093 1563.0800 104.8606 1646.9754 4.0884 1669.9370 28.6242 3040.0998 15.7642 3045.4187 31.8452 3058.5003 17.3368 3098.9031 7.2406 3105.1864 13.0641 3109.7678 57.4058 3131.3552 12.5802 3134.5237 36.9875 3189.8732 11.3855 3192.1059 11.3722 3221.6523 6.6367 3222.5185 4.9240 3729.2734 5.2748 > 2.32607 GHz 0.45263 GHz 0.42521 GHz > Gaussian 09, Revision D.01 > Ashley Zhang $$$$