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	hartrees
Energy at 0K	-287.471411
Energy at 298.15K
HF Energy	-287.471411
Nuclear repulsion energy	273.047819

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3242	3070	8.98
2	A'	3228	3057	13.54
3	A'	3215	3044	3.19
4	A'	3194	3025	20.42
5	A'	3173	3005	12.24
6	A'	3086	2922	11.04
7	A'	1696	1606	55.06
8	A'	1678	1589	20.59
9	A'	1546	1464	25.71
10	A'	1525	1444	27.76
11	A'	1487	1408	15.09
12	A'	1436	1360	1.49
13	A'	1345	1274	3.43
14	A'	1315	1246	1.30
15	A'	1280	1213	3.89
16	A'	1180	1118	3.69
17	A'	1140	1080	1.80
18	A'	1097	1038	3.85
19	A'	1028	974	5.33
20	A'	1009	956	1.76
21	A'	834	790	0.42
22	A'	639	606	1.82
23	A'	555	526	2.15
24	A'	357	338	2.67
25	A"	3161	2994	7.57
26	A"	1503	1423	5.75
27	A"	1076	1019	6.93
28	A"	1026	972	0.03
29	A"	987	935	0.20
30	A"	911	863	0.01
31	A"	774	733	33.42
32	A"	754	714	7.06
33	A"	481	456	3.12
34	A"	419	396	3.60
35	A"	202	191	3.03
36	A"	55i	52i	0.59

Atom	x (Å)	y (Å)	z (Å)
N1	1.186	0.254	0.000
C2	0.000	0.874	0.000
C3	-1.207	0.168	0.000
C4	-1.177	-1.224	0.000
C5	0.055	-1.868	0.000
C6	1.204	-1.077	0.000
C7	0.035	2.380	0.000
H8	-2.151	0.705	0.000
H9	-2.103	-1.794	0.000
H10	0.130	-2.950	0.000
H11	2.189	-1.542	0.000
H12	-0.971	2.808	0.000
H13	0.573	2.741	0.881
H14	0.573	2.741	-0.881

	N1	C2	C3	C4	C5	C6	C7	H8	H9	H10	H11	H12	H13	H14
N1		1.3382	2.3949	2.7875	2.4047	1.3315	2.4176	3.3675	3.8742	3.3739	2.0574	3.3428	2.7085	2.7085
C2	1.3382		1.3985	2.4052	2.7422	2.2926	1.5067	2.1577	3.3964	3.8262	3.2602	2.1643	2.1427	2.1427
C3	2.3949	1.3985		1.3917	2.3954	2.7139	2.5370	1.0860	2.1561	3.3930	3.8027	2.6507	3.2506	3.2506
C4	2.7875	2.4052	1.3917		1.3909	2.3861	3.8020	2.1603	1.0867	2.1662	3.3818	4.0368	4.4223	4.4223
C5	2.4047	2.7422	2.3954	1.3909		1.3948	4.2480	3.3892	2.1591	1.0850	2.1589	4.7872	4.7207	4.7207
C6	1.3315	2.2926	2.7139	2.3861	1.3948		3.6497	3.7992	3.3835	2.1590	1.0893	4.4526	3.9689	3.9689
C7	2.4176	1.5067	2.5370	3.8020	4.2480	3.6497		2.7539	4.6891	5.3312	4.4749	1.0929	1.0939	1.0939
H8	3.3675	2.1577	1.0860	2.1603	3.3892	3.7992	2.7539		2.4989	4.3088	4.8875	2.4117	3.5132	3.5132
H9	3.8742	3.3964	2.1561	1.0867	2.1591	3.3835	4.6891	2.4989		2.5149	4.2993	4.7387	5.3382	5.3382
H10	3.3739	3.8262	3.3930	2.1662	1.0850	2.1590	5.3312	4.3088	2.5149		2.4944	5.8627	5.7759	5.7759
H11	2.0574	3.2602	3.8027	3.3818	2.1589	1.0893	4.4749	4.8875	4.2993	2.4944		5.3768	4.6618	4.6618
H12	3.3428	2.1643	2.6507	4.0368	4.7872	4.4526	1.0929	2.4117	4.7387	5.8627	5.3768		1.7790	1.7790
H13	2.7085	2.1427	3.2506	4.4223	4.7207	3.9689	1.0939	3.5132	5.3382	5.7759	4.6618	1.7790		1.7627
H14	2.7085	2.1427	3.2506	4.4223	4.7207	3.9689	1.0939	3.5132	5.3382	5.7759	4.6618	1.7790	1.7627

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	122.106	N1	C2	C7	116.257
N1	C6	C5	123.757	N1	C6	H11	116.035
C2	N1	C6	118.356	C2	C3	C4	119.088
C2	C3	H8	120.044	C2	C7	H12	111.734
C2	C7	H13	109.941	C2	C7	H14	109.941
C3	C2	C7	121.636	C3	C4	C5	118.828
C3	C4	H9	120.413	C4	C3	H8	120.867
C4	C5	C6	117.865	C4	C5	H10	121.583
C5	C4	H9	120.760	C5	C6	H11	120.209
C6	C5	H10	120.552	H12	C7	H13	108.879
H12	C7	H14	108.879	H13	C7	H14	107.356

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

using model chemistry: M06-2X/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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Number	Element	Mulliken
1	N	-0.470
2	C	0.258
3	C	-0.190
4	C	-0.134
5	C	-0.181
6	C	0.022
7	C	-0.523
8	H	0.165
9	H	0.174
10	H	0.170
11	H	0.169
12	H	0.161
13	H	0.189
14	H	0.189

	x	y	z	Total
	-1.681	-0.712	0.000	1.825
CHELPG
AIM
ESP

	x	y	z
x	10.516	-0.193	0.000
y	-0.193	12.519	0.000
z	0.000	0.000	4.511

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: M06-2X/6-31G*

States and conformations

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