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	hartrees
Energy at 0K	-287.485677
Energy at 298.15K	-287.493329
HF Energy	-287.485677
Nuclear repulsion energy	271.792216

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3140	3095	22.83
2	A'	3128	3083	35.31
3	A'	3113	3068	4.46
4	A'	3083	3039	30.80
5	A'	3071	3027	22.34
6	A'	2985	2942	22.87
7	A'	1592	1569	50.27
8	A'	1574	1551	14.46
9	A'	1472	1451	13.87
10	A'	1464	1443	35.63
11	A'	1423	1403	15.77
12	A'	1378	1358	4.19
13	A'	1296	1278	5.67
14	A'	1284	1265	0.09
15	A'	1231	1213	8.99
16	A'	1154	1138	3.19
17	A'	1101	1086	1.90
18	A'	1049	1034	4.83
19	A'	996	982	2.45
20	A'	971	957	2.74
21	A'	804	792	0.89
22	A'	629	620	1.77
23	A'	543	535	1.45
24	A'	348	343	2.63
25	A"	3046	3003	17.20
26	A"	1448	1428	6.86
27	A"	1035	1020	5.13
28	A"	972	958	0.02
29	A"	941	928	0.00
30	A"	872	859	0.01
31	A"	738	728	35.74
32	A"	731	721	9.76
33	A"	465	458	4.30
34	A"	398	393	3.46
35	A"	187	184	2.65
36	A"	20	20	0.77

Atom	x (Å)	y (Å)	z (Å)
N1	1.196	0.257	0.000
C2	0.000	0.879	0.000
C3	-1.211	0.168	0.000
C4	-1.184	-1.228	0.000
C5	0.053	-1.875	0.000
C6	1.207	-1.084	0.000
C7	0.034	2.387	0.000
H8	-2.158	0.705	0.000
H9	-2.111	-1.798	0.000
H10	0.127	-2.960	0.000
H11	2.194	-1.551	0.000
H12	-0.974	2.817	0.000
H13	0.575	2.751	0.882
H14	0.575	2.751	-0.882

	N1	C2	C3	C4	C5	C6	C7	H8	H9	H10	H11	H12	H13	H14
N1		1.3484	2.4092	2.8048	2.4185	1.3404	2.4268	3.3840	3.8934	3.3897	2.0642	3.3560	2.7176	2.7176
C2	1.3484		1.4041	2.4160	2.7539	2.3038	1.5084	2.1647	3.4088	3.8407	3.2732	2.1689	2.1481	2.1481
C3	2.4092	1.4041		1.3963	2.4029	2.7231	2.5437	1.0882	2.1625	3.4026	3.8142	2.6590	3.2617	3.2617
C4	2.8048	2.4160	1.3963		1.3961	2.3948	3.8137	2.1645	1.0886	2.1723	3.3927	4.0498	4.4385	4.4385
C5	2.4185	2.7539	2.4029	1.3961		1.3987	4.2615	3.3980	2.1655	1.0877	2.1646	4.8026	4.7379	4.7379
C6	1.3404	2.3038	2.7231	2.3948	1.3987		3.6633	3.8107	3.3937	2.1648	1.0917	4.4686	3.9851	3.9851
C7	2.4268	1.5084	2.5437	3.8137	4.2615	3.6633		2.7621	4.7022	5.3474	4.4910	1.0952	1.0972	1.0972
H8	3.3840	2.1647	1.0882	2.1645	3.3980	3.8107	2.7621		2.5039	4.3191	4.9015	2.4209	3.5259	3.5259
H9	3.8934	3.4088	2.1625	1.0886	2.1655	3.3937	4.7022	2.5039		2.5213	4.3114	4.7529	5.3560	5.3560
H10	3.3897	3.8407	3.4026	2.1723	1.0877	2.1648	5.3474	4.3191	2.5213		2.5013	5.8806	5.7960	5.7960
H11	2.0642	3.2732	3.8142	3.3927	2.1646	1.0917	4.4910	4.9015	4.3114	2.5013		5.3950	4.6799	4.6799
H12	3.3560	2.1689	2.6590	4.0498	4.8026	4.4686	1.0952	2.4209	4.7529	5.8806	5.3950		1.7836	1.7836
H13	2.7176	2.1481	3.2617	4.4385	4.7379	3.9851	1.0972	3.5259	5.3560	5.7960	4.6799	1.7836		1.7637
H14	2.7176	2.1481	3.2617	4.4385	4.7379	3.9851	1.0972	3.5259	5.3560	5.7960	4.6799	1.7836	1.7637

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	121.897	N1	C2	C7	116.465
N1	C6	C5	123.634	N1	C6	H11	116.178
C2	N1	C6	118.548	C2	C3	C4	119.150
C2	C3	H8	120.181	C2	C7	H12	111.921
C2	C7	H13	109.972	C2	C7	H14	109.972
C3	C2	C7	121.638	C3	C4	C5	118.865
C3	C4	H9	120.396	C4	C3	H8	120.669
C4	C5	C6	117.906	C4	C5	H10	121.512
C5	C4	H9	120.739	C5	C6	H11	120.188
C6	C5	H10	120.582	H12	C7	H13	108.841
H12	C7	H14	108.841	H13	C7	H14	107.165

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

using model chemistry: B97D3/6-311G**

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	-0.318
2	C	0.069
3	C	-0.130
4	C	0.004
5	C	-0.171
6	C	0.064
7	C	-0.242
8	H	0.087
9	H	0.093
10	H	0.090
11	H	0.101
12	H	0.101
13	H	0.127
14	H	0.127

	x	y	z	Total
	-1.648	-0.644	0.000	1.769
CHELPG
AIM
ESP

	x	y	z
x	11.460	-0.174	0.000
y	-0.174	14.017	0.000
z	0.000	0.000	5.551

<r²>	192.857
(<r²>)^1/2	13.887

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

using model chemistry: B97D3/6-311G**

States and conformations

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