2-Decene, 1-methoxy- NIST 07141420423D 1 1.00000 -507.62054 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 34 33 0 0 0 0 0 0 0 0999 V2000 -3.2944 -5.9864 -0.2591 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0255 -5.1290 -0.3029 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2810 -3.6520 0.0244 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0161 -2.7853 -0.0216 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2721 -1.3091 0.3091 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0078 -0.4426 0.2540 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2720 1.0385 0.5889 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9757 1.8776 0.5729 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2042 2.9081 -0.2444 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4769 3.6991 -0.2763 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1709 5.0780 -0.1209 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3124 5.8983 -0.2316 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0785 -7.0347 -0.4951 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7581 -5.9574 0.7348 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0393 -5.6290 -0.9809 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5664 -5.2043 -1.2990 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2858 -5.5332 0.4029 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7382 -3.5764 1.0224 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0241 -3.2485 -0.6798 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5614 -2.8596 -1.0206 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2724 -3.1908 0.6805 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7213 -1.2334 1.3106 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0197 -0.9048 -0.3894 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4422 -0.5084 -0.7463 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7410 -0.8443 0.9524 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7341 1.0932 1.5869 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0052 1.4508 -0.1169 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7519 1.5910 1.2864 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4418 3.2190 -0.9593 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1652 3.3603 0.5170 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9971 3.5473 -1.2412 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9801 6.9330 -0.1115 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0590 5.6716 0.5477 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8007 5.7914 -1.2148 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 13 1 0 0 0 0 1 14 1 0 0 0 0 1 15 1 0 0 0 0 2 3 1 0 0 0 0 2 16 1 0 0 0 0 2 17 1 0 0 0 0 3 4 1 0 0 0 0 3 18 1 0 0 0 0 3 19 1 0 0 0 0 4 5 1 0 0 0 0 4 20 1 0 0 0 0 4 21 1 0 0 0 0 5 6 1 0 0 0 0 5 22 1 0 0 0 0 5 23 1 0 0 0 0 6 7 1 0 0 0 0 6 24 1 0 0 0 0 6 25 1 0 0 0 0 7 8 1 0 0 0 0 7 26 1 0 0 0 0 7 27 1 0 0 0 0 8 9 2 0 0 0 0 8 28 1 0 0 0 0 9 10 1 0 0 0 0 9 29 1 0 0 0 0 10 11 1 0 0 0 0 10 30 1 0 0 0 0 10 31 1 0 0 0 0 11 12 1 0 0 0 0 12 32 1 0 0 0 0 12 33 1 0 0 0 0 12 34 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. > 2014-07-14 > U352663 > 2-Decene, 1-methoxy- 1-Methoxy-2-decene > B3LYP/6-31G* > 1.1854 debye > -507.620541668 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 24.7005 0.1214 37.3556 0.1214 51.4506 0.9404 62.9528 0.7294 92.1799 2.0657 94.6705 0.5032 102.2105 0.8340 118.4788 0.4572 146.4169 0.0221 159.5414 0.0459 210.8116 0.9109 221.4971 0.4340 240.3919 2.4904 250.8483 0.0135 292.2529 0.7984 313.3806 1.4849 359.3811 0.7259 399.0867 0.4773 468.2856 0.1360 520.4182 0.8609 561.3244 0.7783 738.7701 4.7392 744.7840 0.1226 770.4348 1.0935 799.5422 0.5493 849.7349 0.9747 905.0673 1.9277 931.7779 2.1909 966.6291 11.5641 997.9924 0.2252 1003.1657 18.7448 1015.8631 17.2131 1022.4298 19.8703 1035.3088 0.2960 1048.5958 1.1206 1069.4104 0.3466 1075.7444 1.2784 1081.6729 7.4870 1105.8039 11.6701 1145.9402 0.5268 1160.9191 177.9774 1180.1416 9.8153 1196.7042 11.3261 1228.8840 20.3946 1234.1317 18.4748 1250.8603 4.2142 1263.8100 5.4865 1280.2605 0.7912 1304.1523 0.9168 1317.4287 0.3993 1335.8633 0.3705 1342.6021 6.0046 1345.6634 3.6692 1353.0595 0.5901 1354.5434 0.2315 1369.0708 2.0533 1399.8524 5.6820 1421.1999 0.2537 1427.1037 0.0961 1433.8613 68.8515 1442.0907 0.9245 1501.4922 1.6463 1508.3616 1.5295 1513.6132 4.5881 1514.2927 0.1074 1515.8310 0.3814 1520.2994 0.1740 1529.0985 1.2478 1530.2106 5.7870 1530.3325 6.4361 1537.8669 0.1451 1544.0782 4.1842 1548.4964 1.4010 1758.9429 7.6522 2944.5753 48.9197 2981.6041 84.7220 2992.3156 62.3928 3010.3243 7.6894 3011.4366 0.2899 3013.5139 7.2227 3018.0636 6.7262 3022.7215 70.9172 3025.4869 2.1656 3029.5540 136.7360 3032.3446 7.5113 3038.4906 5.1648 3041.3775 44.7860 3049.7740 5.7866 3058.8454 4.5642 3069.5807 22.9740 3080.4305 129.4839 3106.0534 70.2209 3110.6349 45.1708 3128.9675 27.9443 3133.6704 37.1048 3157.4852 21.6921 > 6.26625 GHz 0.15577 GHz 0.15462 GHz > Gaussian 09, Revision D.01 > Sarah Pan $$$$