Pyridine, 2-methyl- NIST 07171309563D 1 1.00000 -287.60579 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 14 14 0 0 0 0 0 0 0 0999 V2000 3.3467 -4.0362 0.0107 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2963 -2.5294 -0.0550 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4610 -1.7572 -0.1537 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0727 -1.9723 -0.0135 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3555 -0.3685 -0.2112 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0889 0.2101 -0.1685 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9859 -0.6398 -0.0695 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3741 -4.4105 -0.0266 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8774 -4.3939 0.9341 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7849 -4.4737 -0.8224 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4330 -2.2414 -0.1848 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2471 0.2487 -0.2880 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9540 1.2868 -0.2101 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9778 -0.2281 -0.0331 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 6 5 1 0 5 3 2 0 3 2 1 0 2 4 2 0 4 7 1 0 6 7 2 0 1 8 1 0 1 9 1 0 1 10 1 0 3 11 1 0 5 12 1 0 6 13 1 0 7 14 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. > 2013-07-17 > 109-06-8 > Pyridine, 2-methyl- 2-Picoline 2-Methylpyridine Nsc 3409 > B3LYP/6-31G* > 1.8043 debye > -287.605793965 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 64.1897 0.7387 201.3608 2.5014 355.7617 2.5604 417.3041 3.1991 482.4590 2.5101 552.3309 1.8890 639.9426 1.9914 747.9071 5.1481 769.4058 29.6400 821.7810 0.6341 901.7776 0.0056 973.0764 0.0513 999.8295 3.2871 1003.6824 0.0377 1023.5487 3.0014 1075.5985 6.6692 1078.8349 4.2877 1133.7879 1.5568 1185.2811 3.1790 1264.1569 7.0763 1310.8709 0.6837 1338.9040 5.3859 1438.6404 1.1639 1474.8277 17.0444 1506.8908 5.2339 1518.0133 32.5133 1527.5342 12.3847 1632.1073 16.1676 1650.6583 49.1670 3055.7042 17.4070 3114.9698 13.5826 3136.1048 18.1292 3165.3331 27.4553 3187.1398 5.3485 3202.5044 27.2545 3214.1477 16.4301 > 5.69841 GHz 2.62262 GHz 1.81619 GHz > Gaussian 09, Revision D.01 > Michael Liou $$$$