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	hartrees
Energy at 0K	-286.655932
Energy at 298.15K	-286.663655
HF Energy	-285.734074
Nuclear repulsion energy	272.162958

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3254	3069	10.71
2	A'	3242	3057	16.81
3	A'	3227	3043	3.59
4	A'	3214	3031	17.81
5	A'	3205	3022	12.51
6	A'	3109	2932	13.47
7	A'	1669	1574	29.68
8	A'	1647	1554	6.50
9	A'	1556	1467	14.56
10	A'	1535	1447	30.85
11	A'	1486	1401	13.27
12	A'	1465	1382	0.83
13	A'	1407	1327	0.58
14	A'	1349	1272	2.94
15	A'	1291	1217	3.60
16	A'	1210	1141	1.83
17	A'	1151	1086	2.78
18	A'	1091	1029	4.39
19	A'	1039	979	2.39
20	A'	1010	953	4.94
21	A'	829	782	0.40
22	A'	639	603	1.97
23	A'	554	523	2.50
24	A'	358	338	2.67
25	A"	3197	3014	8.70
26	A"	1537	1450	5.93
27	A"	1086	1024	4.90
28	A"	933	880	0.05
29	A"	924	872	0.08
30	A"	885	834	0.00
31	A"	760	717	44.34
32	A"	679	640	1.60
33	A"	465	438	3.34
34	A"	400	378	3.02
35	A"	200	188	2.89
36	A"	32	30	0.62

Atom	x (Å)	y (Å)	z (Å)
N1	1.192	0.253	0.000
C2	0.000	0.880	0.000
C3	-1.211	0.172	0.000
C4	-1.185	-1.224	0.000
C5	0.050	-1.872	0.000
C6	1.207	-1.087	0.000
C7	0.042	2.385	0.000
H8	-2.157	0.708	0.000
H9	-2.113	-1.792	0.000
H10	0.120	-2.957	0.000
H11	2.192	-1.556	0.000
H12	-0.965	2.813	0.000
H13	0.579	2.745	0.882
H14	0.579	2.745	-0.882

	N1	C2	C3	C4	C5	C6	C7	H8	H9	H10	H11	H12	H13	H14
N1		1.3466	2.4042	2.7988	2.4131	1.3407	2.4223	3.3797	3.8872	3.3843	2.0674	3.3472	2.7136	2.7136
C2	1.3466		1.4023	2.4142	2.7523	2.3077	1.5060	2.1636	3.4065	3.8381	3.2767	2.1608	2.1435	2.1435
C3	2.4042	1.4023		1.3957	2.4015	2.7259	2.5429	1.0875	2.1616	3.3997	3.8160	2.6527	3.2565	3.2565
C4	2.7988	2.4142	1.3957		1.3951	2.3962	3.8115	2.1621	1.0883	2.1695	3.3931	4.0428	4.4322	4.4322
C5	2.4131	2.7523	2.4015	1.3951		1.3983	4.2573	3.3951	2.1645	1.0866	2.1648	4.7940	4.7309	4.7309
C6	1.3407	2.3077	2.7259	2.3962	1.3983		3.6626	3.8129	3.3943	2.1625	1.0905	4.4642	3.9826	3.9826
C7	2.4223	1.5060	2.5429	3.8115	4.2573	3.6626		2.7651	4.7003	5.3422	4.4896	1.0935	1.0939	1.0939
H8	3.3797	2.1636	1.0875	2.1621	3.3951	3.8129	2.7651		2.5006	4.3142	4.9026	2.4195	3.5236	3.5236
H9	3.8872	3.4065	2.1616	1.0883	2.1645	3.3943	4.7003	2.5006		2.5184	4.3111	4.7466	5.3496	5.3496
H10	3.3843	3.8381	3.3997	2.1695	1.0866	2.1625	5.3422	4.3142	2.5184		2.5003	5.8708	5.7881	5.7881
H11	2.0674	3.2767	3.8160	3.3931	2.1648	1.0905	4.4896	4.9026	4.3111	2.5003		5.3901	4.6779	4.6779
H12	3.3472	2.1608	2.6527	4.0428	4.7940	4.4642	1.0935	2.4195	4.7466	5.8708	5.3901		1.7791	1.7791
H13	2.7136	2.1435	3.2565	4.4322	4.7309	3.9826	1.0939	3.5236	5.3496	5.7881	4.6779	1.7791		1.7636
H14	2.7136	2.1435	3.2565	4.4322	4.7309	3.9826	1.0939	3.5236	5.3496	5.7881	4.6779	1.7791	1.7636

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	121.980	N1	C2	C7	116.125
N1	C6	C5	123.516	N1	C6	H11	116.120
C2	N1	C6	118.347	C2	C3	C4	119.266
C2	C3	H8	120.159	C2	C7	H12	111.467
C2	C7	H13	110.061	C2	C7	H14	110.061
C3	C2	C7	121.895	C3	C4	C5	118.750
C3	C4	H9	120.460	C4	C3	H8	120.575
C4	C5	C6	118.141	C4	C5	H10	121.405
C5	C4	H9	120.790	C5	C6	H11	120.364
C6	C5	H10	120.454	H12	C7	H13	108.856
H12	C7	H14	108.856	H13	C7	H14	107.438

All results from a given calculation for C₆H₇N (2-Methylpyridine)

using model chemistry: MP2/6-31G*

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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Calc. vs exp. Bad Vib. HF vs MP2 Bad scale factors Low excited states Oddities NaCN Is not linear FAQ Help Units Choose Units Energy Bond length Rotational Constant Moment of Inertia Dipole and Quadrupole Polarizability Explanations Hartree cm-1 Debye Credits Just show me Show me a calculated geometry Summary Using older interface Limit Basis sets Method options List Recent molecules Choose a few Molecules Number of atoms By heavy atoms Diatomics InChI Deuterated Dimers Geometry Point group Point group count Bonds types Isodesmic reactions Bad point group Multiple conformers, states Vibrations Big anharmonicity Energy Enthalpy at 0 Kelvin Similar molecules Similar Isomers Cis/trans Tautomers Multiple conformers, states Ions, Dipoles, etc. List Ions Ionization changes point group Dipole Quadrupole Polarizability Proton Affinities Index of CCCBDB Feedback Error form Wants
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All results from a given calculation for C6H7N (2-Methylpyridine)

using model chemistry: MP2/6-31G*

States and conformations

All results from a given calculation for C₆H₇N (2-Methylpyridine)