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	hartrees
Energy at 0K	-287.647514
Energy at 298.15K	-287.655293
HF Energy	-287.647514
Nuclear repulsion energy	272.525874

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3199	3087	18.05
2	A'	3185	3073	27.77
3	A'	3169	3058	4.39
4	A'	3142	3032	26.31
5	A'	3123	3014	18.77
6	A'	3037	2931	19.73
7	A'	1628	1571	48.27
8	A'	1610	1554	14.90
9	A'	1508	1456	12.98
10	A'	1498	1446	31.20
11	A'	1456	1405	17.76
12	A'	1411	1361	0.76
13	A'	1325	1278	4.50
14	A'	1306	1260	1.04
15	A'	1252	1209	8.82
16	A'	1173	1132	3.01
17	A'	1123	1084	1.47
18	A'	1069	1032	4.47
19	A'	1012	977	3.66
20	A'	987	952	3.11
21	A'	811	783	0.59
22	A'	625	603	2.11
23	A'	541	522	2.09
24	A'	340	328	2.27
25	A"	3102	2994	13.16
26	A"	1487	1435	4.03
27	A"	1058	1021	4.99
28	A"	1008	973	0.05
29	A"	978	944	0.05
30	A"	909	877	0.00
31	A"	774	747	27.70
32	A"	750	724	5.90
33	A"	476	460	2.60
34	A"	408	394	3.00
35	A"	197	190	2.39
36	A"	42	40	0.57

Atom	x (Å)	y (Å)	z (Å)
N1	1.189	0.253	0.000
C2	0.000	0.876	0.000
C3	-1.208	0.168	0.000
C4	-1.179	-1.225	0.000
C5	0.055	-1.872	0.000
C6	1.205	-1.081	0.000
C7	0.035	2.386	0.000
H8	-2.153	0.702	0.000
H9	-2.104	-1.795	0.000
H10	0.128	-2.954	0.000
H11	2.190	-1.547	0.000
H12	-0.971	2.814	0.000
H13	0.573	2.750	0.881
H14	0.573	2.750	-0.881

	N1	C2	C3	C4	C5	C6	C7	H8	H9	H10	H11	H12	H13	H14
N1		1.3418	2.3986	2.7918	2.4088	1.3345	2.4243	3.3720	3.8781	3.3783	2.0596	3.3495	2.7181	2.7181
C2	1.3418		1.4004	2.4095	2.7480	2.2981	1.5102	2.1601	3.4000	3.8320	3.2653	2.1675	2.1487	2.1487
C3	2.3986	1.4004		1.3935	2.3987	2.7172	2.5425	1.0857	2.1573	3.3958	3.8058	2.6565	3.2584	3.2584
C4	2.7918	2.4095	1.3935		1.3928	2.3885	3.8096	2.1599	1.0863	2.1673	3.3839	4.0444	4.4330	4.4330
C5	2.4088	2.7480	2.3987	1.3928		1.3959	4.2573	3.3912	2.1604	1.0849	2.1594	4.7962	4.7334	4.7334
C6	1.3345	2.2981	2.7172	2.3885	1.3959		3.6587	3.8023	3.3855	2.1606	1.0891	4.4613	3.9815	3.9815
C7	2.4243	1.5102	2.5425	3.8096	4.2573	3.6587		2.7605	4.6958	5.3405	4.4839	1.0932	1.0946	1.0946
H8	3.3720	2.1601	1.0857	2.1599	3.3912	3.8023	2.7605		2.4975	4.3098	4.8905	2.4196	3.5215	3.5215
H9	3.8781	3.4000	2.1573	1.0863	2.1604	3.3855	4.6958	2.4975		2.5157	4.3011	4.7456	5.3479	5.3479
H10	3.3783	3.8320	3.3958	2.1673	1.0849	2.1606	5.3405	4.3098	2.5157		2.4959	5.8715	5.7889	5.7889
H11	2.0596	3.2653	3.8058	3.3839	2.1594	1.0891	4.4839	4.8905	4.3011	2.4959		5.3853	4.6745	4.6745
H12	3.3495	2.1675	2.6565	4.0444	4.7962	4.4613	1.0932	2.4196	4.7456	5.8715	5.3853		1.7788	1.7788
H13	2.7181	2.1487	3.2584	4.4330	4.7334	3.9815	1.0946	3.5215	5.3479	5.7889	4.6745	1.7788		1.7614
H14	2.7181	2.1487	3.2584	4.4330	4.7334	3.9815	1.0946	3.5215	5.3479	5.7889	4.6745	1.7788	1.7614

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	121.994	N1	C2	C7	116.309
N1	C6	C5	123.805	N1	C6	H11	116.013
C2	N1	C6	118.329	C2	C3	C4	119.176
C2	C3	H8	120.123	C2	C7	H12	111.726
C2	C7	H13	110.141	C2	C7	H14	110.141
C3	C2	C7	121.696	C3	C4	C5	118.840
C3	C4	H9	120.401	C4	C3	H8	120.701
C4	C5	C6	117.855	C4	C5	H10	121.532
C5	C4	H9	120.758	C5	C6	H11	120.182
C6	C5	H10	120.613	H12	C7	H13	108.785
H12	C7	H14	108.785	H13	C7	H14	107.137

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

using model chemistry: TPSSh/6-31G(2df,p)

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: TPSSh/6-31G(2df,p)

States and conformations

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