NIST 07021519313D 1 1.00000 -613.43868 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 26 25 0 0 0 0 0 0 0 0999 V2000 -0.0633 -0.0047 -0.0395 F 0 0 0 0 0 0 0 0 0 0 0 0 1.1144 0.6605 -0.0478 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9354 0.3455 1.1816 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2759 1.0894 1.2220 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1054 0.7423 2.4639 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4455 1.4872 2.5198 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2879 1.1384 3.7530 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6270 1.8853 3.8105 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4659 1.5288 5.0418 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8277 1.9804 -0.1382 F 0 0 0 0 0 0 0 0 0 0 0 0 1.7611 0.3153 -1.1860 F 0 0 0 0 0 0 0 0 0 0 0 0 2.0900 -0.7395 1.1959 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3220 0.5979 2.0540 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0865 2.1698 1.1924 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8463 0.8478 0.3162 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2896 -0.3419 2.4876 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5232 0.9720 3.3685 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2587 2.5711 2.5016 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0222 1.2635 1.6102 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4764 0.0545 3.7696 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7107 1.3595 4.6632 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4381 2.9682 3.7971 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2022 1.6666 2.8996 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4149 2.0768 5.0515 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6997 0.4573 5.0654 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9323 1.7708 5.9692 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 10 1 0 0 0 0 2 3 1 0 0 0 0 2 11 1 0 0 0 0 3 4 1 0 0 0 0 3 12 1 0 0 0 0 3 13 1 0 0 0 0 4 5 1 0 0 0 0 4 14 1 0 0 0 0 4 15 1 0 0 0 0 5 6 1 0 0 0 0 5 16 1 0 0 0 0 5 17 1 0 0 0 0 6 7 1 0 0 0 0 6 18 1 0 0 0 0 6 19 1 0 0 0 0 7 8 1 0 0 0 0 7 20 1 0 0 0 0 7 21 1 0 0 0 0 8 9 1 0 0 0 0 8 22 1 0 0 0 0 8 23 1 0 0 0 0 9 24 1 0 0 0 0 9 25 1 0 0 0 0 9 26 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 > R175521 > B3LYP/6-31G* > 2.3045 debye > -613.438678908 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 35.3003 0.4931 48.8095 0.0042 55.2668 0.5175 90.0578 0.3240 108.1814 0.0170 142.4709 0.9559 151.1083 0.0667 159.9546 0.0059 218.0063 0.5314 247.4251 0.0015 265.8729 0.1212 362.4126 0.4084 388.6787 1.5191 424.4865 3.4753 478.5358 1.4300 529.8162 0.7425 561.9200 4.3831 651.7062 13.3956 740.0229 4.6751 748.4049 0.0373 779.4619 0.2029 844.0690 2.5983 845.2507 6.0879 906.3533 0.6733 930.5621 2.8586 1006.9603 1.2697 1017.9490 18.0583 1039.3982 8.5559 1055.0152 5.8935 1069.9948 0.9230 1074.9879 4.4974 1082.3224 64.2718 1141.2054 11.9868 1189.9845 186.5641 1222.5551 23.9060 1252.1652 41.1486 1265.8239 14.5994 1287.7083 161.6454 1295.3408 27.0053 1324.8262 61.7667 1333.7309 14.6988 1344.6547 3.7376 1353.3664 0.0207 1364.6215 37.9316 1376.8405 22.2927 1415.2299 25.2557 1427.5155 0.4244 1436.9786 24.4701 1442.4214 1.6907 1509.1872 6.5633 1515.2802 0.1374 1516.3208 0.4514 1521.6082 0.9085 1529.5192 5.9559 1530.5159 0.7465 1539.5779 1.1094 1545.1930 5.2468 3012.8730 0.6171 3014.6941 0.3539 3021.7766 14.8111 3029.6903 85.1578 3034.4510 0.4021 3041.7406 0.7094 3042.5397 40.6870 3050.3338 27.6366 3056.6211 0.4606 3071.1391 22.3727 3072.0580 67.3004 3089.4066 33.0596 3107.0308 67.0776 3112.5485 43.2203 3117.9727 36.4298 > 3.90741 GHz 0.25545 GHz 0.25323 GHz > Gaussian 09, Revision D.01 > Avi Newman $$$$