3-Dodecene, (3E)- NIST 07071310263D 1 1.00000 -471.73653 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 36 35 0 0 0 0 0 0 0 0999 V2000 103.8886 10.1617 0.2690 C 0 0 0 0 0 0 0 0 0 0 0 0 102.6042 9.3233 0.2570 C 0 0 0 0 0 0 0 0 0 0 0 0 102.8570 7.8197 0.0861 C 0 0 0 0 0 0 0 0 0 0 0 0 103.6294 11.6719 0.4340 C 0 0 0 0 0 0 0 0 0 0 0 0 101.5736 6.9792 0.0741 C 0 0 0 0 0 0 0 0 0 0 0 0 104.8943 12.4848 0.4918 C 0 0 0 0 0 0 0 0 0 0 0 0 101.8260 5.4757 -0.0972 C 0 0 0 0 0 0 0 0 0 0 0 0 105.2510 13.4265 -0.3861 C 0 0 0 0 0 0 0 0 0 0 0 0 100.5431 4.6346 -0.1073 C 0 0 0 0 0 0 0 0 0 0 0 0 106.5183 14.2365 -0.3317 C 0 0 0 0 0 0 0 0 0 0 0 0 100.8041 3.1342 -0.2754 C 0 0 0 0 0 0 0 0 0 0 0 0 106.2581 15.7472 -0.2026 C 0 0 0 0 0 0 0 0 0 0 0 0 104.5426 9.8156 1.0829 H 0 0 0 0 0 0 0 0 0 0 0 0 104.4479 9.9955 -0.6621 H 0 0 0 0 0 0 0 0 0 0 0 0 101.9482 9.6753 -0.5532 H 0 0 0 0 0 0 0 0 0 0 0 0 102.0495 9.4949 1.1916 H 0 0 0 0 0 0 0 0 0 0 0 0 103.5137 7.4680 0.8957 H 0 0 0 0 0 0 0 0 0 0 0 0 103.4114 7.6493 -0.8487 H 0 0 0 0 0 0 0 0 0 0 0 0 102.9980 12.0280 -0.3913 H 0 0 0 0 0 0 0 0 0 0 0 0 103.0498 11.8267 1.3578 H 0 0 0 0 0 0 0 0 0 0 0 0 100.9167 7.3311 -0.7353 H 0 0 0 0 0 0 0 0 0 0 0 0 101.0193 7.1496 1.0091 H 0 0 0 0 0 0 0 0 0 0 0 0 105.5703 12.2565 1.3197 H 0 0 0 0 0 0 0 0 0 0 0 0 102.4835 5.1231 0.7116 H 0 0 0 0 0 0 0 0 0 0 0 0 102.3791 5.3040 -1.0328 H 0 0 0 0 0 0 0 0 0 0 0 0 104.5752 13.6556 -1.2141 H 0 0 0 0 0 0 0 0 0 0 0 0 99.8871 4.9848 -0.9170 H 0 0 0 0 0 0 0 0 0 0 0 0 99.9900 4.8074 0.8270 H 0 0 0 0 0 0 0 0 0 0 0 0 107.1385 13.8944 0.5070 H 0 0 0 0 0 0 0 0 0 0 0 0 107.1056 14.0584 -1.2454 H 0 0 0 0 0 0 0 0 0 0 0 0 99.8688 2.5626 -0.2790 H 0 0 0 0 0 0 0 0 0 0 0 0 101.4282 2.7466 0.5392 H 0 0 0 0 0 0 0 0 0 0 0 0 101.3254 2.9255 -1.2179 H 0 0 0 0 0 0 0 0 0 0 0 0 107.1983 16.3107 -0.1985 H 0 0 0 0 0 0 0 0 0 0 0 0 105.6508 16.1169 -1.0377 H 0 0 0 0 0 0 0 0 0 0 0 0 105.7200 15.9739 0.7247 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 4 1 0 2 3 1 0 3 5 1 0 4 6 1 0 5 7 1 0 6 8 2 0 7 9 1 0 8 10 1 0 9 11 1 0 10 12 1 0 1 13 1 0 1 14 1 0 2 15 1 0 2 16 1 0 3 17 1 0 3 18 1 0 4 19 1 0 4 20 1 0 5 21 1 0 5 22 1 0 6 23 1 0 7 24 1 0 7 25 1 0 8 26 1 0 9 27 1 0 9 28 1 0 10 29 1 0 10 30 1 0 11 31 1 0 11 32 1 0 11 33 1 0 12 34 1 0 12 35 1 0 12 36 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. > 2013-07-07 > 7206-14-6 > 3-Dodecene, (3E)- 3-Dodecene, (E)- trans-3-Dodecene γ-trans-Dodecene > B3LYP/6-31G* > 0.0534 debye > -471.736526828 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 25.0714 0.0066 41.5985 0.0123 55.2526 0.0371 57.0121 0.0122 95.2230 0.1370 98.1463 0.0264 111.0066 0.0328 122.6440 0.0458 159.6146 0.0136 164.1447 0.0099 182.7713 0.2737 212.6823 0.1004 220.7347 0.0096 248.3503 0.0030 299.4763 0.1404 318.7305 0.8242 346.3155 0.0136 429.3079 0.1889 453.5601 0.9433 511.4290 1.0486 535.9153 0.1801 738.7157 5.0808 741.8489 0.0263 756.9995 0.3333 773.7473 2.2372 804.6815 0.7626 833.2663 1.2700 876.6754 0.4214 904.5715 1.8450 913.0969 2.3711 957.9824 1.1321 997.5559 0.1985 1001.5744 0.2570 1014.5385 22.6900 1020.2843 0.3888 1039.2258 2.8848 1051.5504 0.2886 1064.4120 0.9595 1072.9819 0.4216 1075.5573 1.1236 1084.6904 4.5249 1102.7475 2.2275 1121.1359 0.4983 1147.6636 2.0053 1199.0377 0.1859 1229.6807 0.1044 1246.3711 6.3582 1266.3657 0.0253 1287.1408 0.2159 1297.7035 0.0274 1308.4132 0.3541 1331.3521 3.6380 1336.4186 6.0079 1340.7044 0.4537 1346.7386 1.7114 1350.4953 2.0178 1354.0828 1.7435 1356.0429 0.0291 1378.0946 2.6305 1398.8170 0.3987 1413.7852 1.5462 1425.3842 0.2419 1427.5675 0.5015 1435.5357 0.6832 1440.6295 0.9915 1509.0254 1.8700 1511.5917 1.9913 1513.9485 0.0870 1515.6182 0.1274 1517.8282 0.3577 1523.9082 0.4324 1527.5157 5.3721 1529.3677 5.6634 1532.4194 0.7846 1536.8195 2.9756 1539.9561 0.3062 1545.1289 4.2912 1754.3368 0.0954 3006.5148 18.6381 3010.7045 4.8008 3012.1230 0.9768 3014.4366 2.8928 3016.8867 31.3290 3019.8518 2.9896 3026.2027 5.6271 3029.4718 166.3199 3031.4253 1.7015 3035.0635 8.6209 3041.2858 44.0786 3043.6516 5.0354 3045.3055 38.5776 3052.2287 8.5928 3060.0754 2.9844 3065.9536 10.0860 3070.9280 24.2565 3079.5557 163.0460 3105.8797 69.9792 3110.3839 46.7697 3110.7792 31.3601 3118.7782 36.3958 3121.5693 4.0994 3127.0762 79.6625 > 5.79278 GHz 0.15521 GHz 0.15378 GHz > Gaussian 09, Revision D.01 > Michael Liou $$$$