NIST 07021517383D 1 1.00000 -1009.43848 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 22 24 0 0 0 0 0 0 0 0999 V2000 -3.6270 0.1037 -0.2689 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3914 -1.2657 -0.3654 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0949 -1.7619 -0.3096 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5682 0.9901 -0.1156 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0316 -0.8777 -0.1562 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2423 -1.4062 -0.1048 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2415 1.4069 0.0941 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2682 0.4974 -0.0592 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2691 -0.4966 0.0484 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5691 -0.9894 0.1047 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6279 -0.1030 0.2579 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3923 1.2665 0.3544 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0957 1.7627 0.2987 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0324 0.8784 0.1454 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4299 2.1062 0.5021 F 0 0 0 0 0 0 0 0 0 0 0 0 4.8888 -0.5617 0.3141 F 0 0 0 0 0 0 0 0 0 0 0 0 -4.8880 0.5624 -0.3252 F 0 0 0 0 0 0 0 0 0 0 0 0 -4.4290 -2.1054 -0.5132 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.9126 -2.8278 -0.3847 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7522 2.0557 -0.0404 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7530 -2.0550 0.0295 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9135 2.8286 0.3737 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 1 0 0 0 0 1 4 2 0 0 0 0 2 18 1 0 0 0 0 2 1 1 0 0 0 0 3 2 2 0 0 0 0 3 19 1 0 0 0 0 4 8 1 0 0 0 0 4 20 1 0 0 0 0 5 3 1 0 0 0 0 5 8 2 0 0 0 0 6 5 1 0 0 0 0 7 14 1 0 0 0 0 8 7 1 0 0 0 0 9 6 1 0 0 0 0 9 14 2 0 0 0 0 10 9 1 0 0 0 0 10 21 1 0 0 0 0 11 16 1 0 0 0 0 11 10 2 0 0 0 0 11 12 1 0 0 0 0 12 15 1 0 0 0 0 13 12 2 0 0 0 0 13 22 1 0 0 0 0 14 13 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. > 2015-07-02 > R223997 > B3LYP/6-31G* > 0.0017 debye > -1009.43847961 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 22.8350 0.0291 78.6179 0.0000 154.5749 0.0000 155.1154 0.1342 174.3111 0.0000 209.3976 4.9614 263.8076 0.0000 266.7789 0.0000 279.3508 0.0290 309.6329 0.0000 310.2714 0.0000 313.3100 0.0000 414.7991 0.0000 418.0849 1.6829 420.9870 0.0305 457.2395 0.0000 465.1202 1.8506 465.9183 0.0000 551.9682 16.4847 570.6147 0.0000 596.2544 0.0000 610.1074 0.0003 623.0583 0.0000 638.2135 27.1324 646.6536 0.0023 649.0787 0.0000 746.7842 0.0000 758.2549 0.0000 773.1656 7.3054 813.4610 16.8128 823.7312 0.0000 824.9539 0.0000 836.1244 0.0000 871.2209 0.1480 872.5685 105.0864 931.2210 183.9412 1113.8428 5.3756 1175.4213 0.0008 1178.4838 0.0004 1217.2125 564.7488 1218.2812 0.5215 1236.4709 0.0090 1237.1989 34.6439 1266.7677 100.0653 1336.9776 154.8341 1347.6942 0.0061 1394.0939 0.0006 1425.0482 95.5762 1451.5113 0.0002 1493.9067 27.3984 1557.2594 1335.9816 1579.8164 0.0016 1660.5628 10.4635 1667.7370 0.0001 1685.0636 0.0004 1702.4211 4.6063 3240.6101 0.3413 3240.8856 1.8422 3241.8884 0.0518 3242.1502 0.0114 > 1.36214 GHz 0.18867 GHz 0.16572 GHz > Gaussian 09, Revision D.01 > Ashley Zhang $$$$