NIST 06251420523D 1 1.00000 -1028.42987 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 32 32 0 0 0 0 0 0 0 0999 V2000 6.1568 1.1284 0.1557 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7690 0.9777 0.1634 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1814 -0.1531 -0.4147 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9842 -1.1260 -0.9961 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3806 -0.9860 -1.0153 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9567 0.1519 -0.4341 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9043 2.0065 0.8431 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4797 3.2293 0.8404 F 0 0 0 0 0 0 0 0 0 0 0 0 3.6706 1.6836 2.1361 F 0 0 0 0 0 0 0 0 0 0 0 0 2.6986 2.1233 0.2440 F 0 0 0 0 0 0 0 0 0 0 0 0 7.1844 -2.0734 -1.6690 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6255 -3.0584 -2.1323 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7023 -1.9605 -1.7596 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4527 -2.5443 -0.5381 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1868 -4.0341 -0.2886 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8984 -4.2960 0.4708 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5578 -5.5981 0.4109 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3536 -5.9540 1.1108 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2669 -3.4627 1.0868 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6078 2.0086 0.6011 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1018 -0.2621 -0.4118 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5512 -2.0109 -1.4496 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0331 0.2860 -0.4304 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9925 -2.5192 -2.6558 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0112 -0.9198 -1.9047 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5246 -2.4019 -0.7168 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1977 -1.9834 0.3670 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1667 -4.6064 -1.2222 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9980 -4.4627 0.3156 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2346 -7.0272 0.9595 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4438 -5.7227 2.1756 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5000 -5.4103 0.6982 H 0 0 0 0 0 0 0 0 0 0 0 0 5 11 1 0 11 12 2 0 2 7 1 0 11 13 1 0 7 8 1 0 13 14 1 0 7 9 1 0 14 15 1 0 15 16 1 0 7 10 1 0 16 17 1 0 17 18 1 0 16 19 2 0 1 6 2 0 6 5 1 0 5 4 2 0 4 3 1 0 3 2 2 0 1 2 1 0 1 20 1 0 3 21 1 0 4 22 1 0 6 23 1 0 13 24 1 0 13 25 1 0 14 26 1 0 14 27 1 0 15 28 1 0 15 29 1 0 18 30 1 0 18 31 1 0 18 32 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. > 2014-06-25 > R195996 > B3LYP/6-31G* > 2.9732 debye > -1028.42986564 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 17.2595 0.0054 21.3528 0.3514 30.4598 0.1187 36.6032 2.8181 45.9188 0.0874 68.5354 3.5620 89.6137 0.7720 130.8060 0.1567 138.2285 2.2474 149.0697 2.5890 178.1603 8.6264 195.3875 1.4149 223.5826 4.2770 257.6782 0.4855 275.0117 2.4884 311.2814 13.0590 351.0314 7.2368 377.5901 4.6561 397.3935 1.6832 417.0751 0.2705 443.9560 4.0633 470.5661 0.1471 487.8612 5.3357 509.0879 9.3637 573.7390 4.6055 576.5509 3.0896 589.3528 0.8600 597.6575 5.7012 648.2948 0.5272 657.8710 0.7859 703.2208 15.3321 720.3629 17.8721 772.2116 7.5915 793.7664 3.8066 849.2859 25.6525 852.9405 17.2414 871.4682 16.9901 899.5012 6.4553 900.5160 5.7230 970.3794 8.1035 977.8896 45.4334 999.4666 5.0113 1012.7505 15.5848 1032.4029 33.3613 1041.5286 7.6936 1066.2549 13.6364 1090.3473 101.8930 1109.6256 10.2329 1141.7655 40.3924 1180.3731 12.4861 1185.1977 0.6726 1189.1010 245.9578 1212.5698 159.3950 1215.4816 19.0521 1220.7168 28.1425 1230.3218 128.6570 1257.5529 156.5098 1273.7131 121.9187 1308.0975 170.6021 1339.7353 216.3466 1348.0151 109.0140 1364.8879 7.2840 1371.4276 20.8532 1402.7159 17.7688 1416.3322 50.6990 1451.6028 33.5756 1487.2495 12.2909 1494.0902 14.5155 1509.1764 7.5776 1513.0409 6.1724 1520.1340 10.9279 1524.1675 6.9190 1558.1007 22.6731 1630.5388 7.7090 1673.8244 2.5152 1764.1844 150.2280 1819.0084 215.5413 3049.8172 11.0803 3064.9357 21.5809 3071.6716 23.3643 3076.7227 26.2567 3103.6114 7.7551 3110.0021 6.8410 3121.2245 28.9925 3152.7293 19.7202 3182.9110 19.4939 3214.3364 6.2630 3217.8221 1.0956 3229.8090 7.0291 3235.1080 2.2403 > 0.72515 GHz 0.16591 GHz 0.15419 GHz > Gaussian 09, Revision D.01 > Sonia Dermer $$$$