NIST 06181211513D 1 1.00000 -350.10049 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 21 22 0 0 1 0 0 0 0 0999 V2000 -0.2760 -1.5363 -0.2486 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3054 -0.4704 0.0654 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9442 1.0011 0.2093 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0326 1.6192 -0.8857 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2096 1.2405 -0.0163 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8086 -0.0862 -0.4119 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1597 -1.2551 -0.5234 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3816 -1.2000 -1.2500 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2373 1.1999 1.2076 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4291 -2.4860 0.2643 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0392 -0.7814 0.8090 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8589 1.5689 0.4178 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1733 2.7049 -0.9317 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0720 1.2174 -1.9023 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9967 1.9994 0.0375 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8663 -0.0728 -0.6722 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7349 -2.1240 -0.8457 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1745 -1.9283 -1.4021 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0873 -0.6691 -2.1501 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1958 2.1714 1.7126 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4016 0.4130 1.9502 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 7 1 0 0 0 0 1 8 1 0 0 0 0 1 10 1 0 0 0 0 2 3 2 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 4 5 1 0 0 0 0 4 13 1 0 0 0 0 4 14 1 0 0 0 0 5 6 1 0 0 0 0 5 9 1 0 0 0 0 5 15 1 0 0 0 0 6 7 2 0 0 0 0 6 16 1 0 0 0 0 7 17 1 0 0 0 0 8 9 1 0 0 0 0 8 18 1 0 0 0 0 8 19 1 0 0 0 0 9 20 1 0 0 0 0 9 21 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. > 2012-06-18 > 14993-07-8 > B3LYP/6-31G* > 0.3855 debye > -350.100485277 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 192.5662 0.2315 222.0568 0.0371 311.9870 0.1237 353.3857 0.4632 379.1486 1.5157 440.8214 1.5401 524.9421 0.1029 572.9097 0.3398 713.1699 2.8644 738.4876 25.8753 752.5944 1.3904 800.7331 0.4838 805.6663 0.2918 820.5549 1.3836 855.9733 10.4444 865.6161 2.3509 920.1843 1.2257 939.8565 1.1425 982.9681 0.8472 988.1830 4.8230 1002.3612 4.7823 1018.1521 3.8909 1061.8585 4.5744 1070.9737 1.9918 1095.5418 6.6032 1109.1482 1.7542 1123.5477 0.4500 1149.2817 1.0644 1164.8973 1.2155 1182.3607 1.1710 1184.8096 0.1684 1241.8122 0.3199 1270.1183 0.2103 1274.7209 0.9553 1280.5020 0.1584 1290.9260 2.1647 1373.5352 1.1671 1387.6922 0.7049 1408.6895 0.2861 1430.6700 0.7508 1451.6346 0.8425 1500.7945 0.8926 1520.9437 2.9527 1531.4626 1.5250 1720.9799 8.6767 3052.3343 22.8120 3063.2135 55.1600 3069.5131 44.7058 3083.4323 60.6823 3121.7212 29.1796 3123.3897 21.2091 3123.8270 17.9332 3133.7148 28.7421 3138.8823 25.5099 3148.3210 30.6373 3164.1493 49.4770 3230.9243 14.4184 > 2.56137 GHz 1.91362 GHz 1.43540 GHz > Gaussian 09, Revision C.01 > Katherine Hafner $$$$