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	hartrees
Energy at 0K	-286.822378
Energy at 298.15K
HF Energy	-285.819977
Nuclear repulsion energy	272.896759

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3251	3082	9.47
2	A'	3239	3070	15.30
3	A'	3223	3055	3.21
4	A'	3207	3040	15.69
5	A'	3184	3018	13.77
6	A'	3088	2927	17.66
7	A'	1641	1556	29.62
8	A'	1621	1536	6.59
9	A'	1521	1442	11.87
10	A'	1513	1434	32.08
11	A'	1465	1389	12.23
12	A'	1434	1359	1.75
13	A'	1374	1302	0.52
14	A'	1336	1266	3.53
15	A'	1273	1207	4.14
16	A'	1188	1126	2.22
17	A'	1134	1075	2.78
18	A'	1077	1021	4.28
19	A'	1028	974	1.74
20	A'	1005	953	3.44
21	A'	821	778	0.50
22	A'	637	604	1.48
23	A'	553	524	1.86
24	A'	359	340	2.46
25	A"	3173	3008	9.28
26	A"	1475	1398	7.01
27	A"	1039	985	0.93
28	A"	827	784	0.07
29	A"	802	760	0.34
30	A"	737	698	8.69
31	A"	672	637	50.60
32	A"	428	406	2.77
33	A"	251	238	1.59
34	A"	170	161	2.26
35	A"	57i	54i	0.53
36	A"	492i	467i	0.01

Atom	x (Å)	y (Å)	z (Å)
N1	1.191	0.256	0.000
C2	0.000	0.875	0.000
C3	-1.206	0.168	0.000
C4	-1.178	-1.223	0.000
C5	0.055	-1.867	0.000
C6	1.206	-1.080	0.000
C7	0.031	2.378	0.000
H8	-2.149	0.702	0.000
H9	-2.101	-1.791	0.000
H10	0.129	-2.946	0.000
H11	2.186	-1.546	0.000
H12	-0.975	2.797	0.000
H13	0.562	2.740	0.880
H14	0.562	2.740	-0.880

	N1	C2	C3	C4	C5	C6	C7	H8	H9	H10	H11	H12	H13	H14
N1		1.3423	2.3989	2.7929	2.4077	1.3361	2.4180	3.3694	3.8766	3.3739	2.0586	3.3391	2.7090	2.7090
C2	1.3423		1.3980	2.4060	2.7422	2.2968	1.5029	2.1556	3.3944	3.8234	3.2620	2.1554	2.1375	2.1375
C3	2.3989	1.3980		1.3915	2.3940	2.7158	2.5319	1.0831	2.1541	3.3887	3.8010	2.6390	3.2429	3.2429
C4	2.7929	2.4060	1.3915		1.3908	2.3880	3.7979	2.1558	1.0837	2.1629	3.3796	4.0253	4.4168	4.4168
C5	2.4077	2.7422	2.3940	1.3908		1.3941	4.2443	3.3843	2.1569	1.0822	2.1553	4.7762	4.7172	4.7172
C6	1.3361	2.2968	2.7158	2.3880	1.3941		3.6517	3.7983	3.3821	2.1547	1.0856	4.4484	3.9723	3.9723
C7	2.4180	1.5029	2.5319	3.7979	4.2443	3.6517		2.7491	4.6821	5.3247	4.4766	1.0899	1.0904	1.0904
H8	3.3694	2.1556	1.0831	2.1558	3.3843	3.7983	2.7491		2.4937	4.3009	4.8831	2.4016	3.5041	3.5041
H9	3.8766	3.3944	2.1541	1.0837	2.1569	3.3821	4.6821	2.4937		2.5111	4.2939	4.7245	5.3291	5.3291
H10	3.3739	3.8234	3.3887	2.1629	1.0822	2.1547	5.3247	4.3009	2.5111		2.4885	5.8486	5.7701	5.7701
H11	2.0586	3.2620	3.8010	3.3796	2.1553	1.0856	4.4766	4.8831	4.2939	2.4885		5.3719	4.6668	4.6668
H12	3.3391	2.1554	2.6390	4.0253	4.7762	4.4484	1.0899	2.4016	4.7245	5.8486	5.3719		1.7727	1.7727
H13	2.7090	2.1375	3.2429	4.4168	4.7172	3.9723	1.0904	3.5041	5.3291	5.7701	4.6668	1.7727		1.7605
H14	2.7090	2.1375	3.2429	4.4168	4.7172	3.9723	1.0904	3.5041	5.3291	5.7701	4.6668	1.7727	1.7605

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	122.181	N1	C2	C7	116.281
N1	C6	C5	123.729	N1	C6	H11	116.052
C2	N1	C6	118.082	C2	C3	C4	119.202
C2	C3	H8	120.116	C2	C7	H12	111.475
C2	C7	H13	110.010	C2	C7	H14	110.010
C3	C2	C7	121.538	C3	C4	C5	118.733
C3	C4	H9	120.468	C4	C3	H8	120.681
C4	C5	C6	118.073	C4	C5	H10	121.500
C5	C4	H9	120.799	C5	C6	H11	120.218
C6	C5	H10	120.426	H12	C7	H13	108.796
H12	C7	H14	108.796	H13	C7	H14	107.660

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

using model chemistry: MP2/TZVP

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/TZVP

States and conformations

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