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	hartrees
Energy at 0K	-287.513164
Energy at 298.15K	-287.520855
HF Energy	-287.513164
Nuclear repulsion energy	272.373812

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3142	3098	20.44
2	A'	3129	3085	30.98
3	A'	3114	3070	3.97
4	A'	3083	3040	29.05
5	A'	3071	3028	19.30
6	A'	2987	2945	20.85
7	A'	1591	1569	50.71
8	A'	1574	1551	14.07
9	A'	1473	1453	16.43
10	A'	1464	1444	31.66
11	A'	1427	1407	15.29
12	A'	1378	1359	4.09
13	A'	1298	1280	6.33
14	A'	1281	1263	0.10
15	A'	1233	1216	10.01
16	A'	1156	1139	3.30
17	A'	1103	1088	1.55
18	A'	1051	1036	4.83
19	A'	998	984	2.52
20	A'	971	957	2.48
21	A'	805	793	0.86
22	A'	630	621	1.94
23	A'	543	536	1.40
24	A'	348	343	2.65
25	A"	3045	3002	13.64
26	A"	1447	1427	5.72
27	A"	1036	1022	4.58
28	A"	979	966	0.06
29	A"	947	933	0.00
30	A"	873	861	0.00
31	A"	741	730	26.24
32	A"	734	724	16.87
33	A"	466	460	3.88
34	A"	399	394	3.32
35	A"	187	185	2.50
36	A"	29	29	0.65

Atom	x (Å)	y (Å)	z (Å)
N1	1.193	0.255	0.000
C2	0.000	0.878	0.000
C3	-1.207	0.168	0.000
C4	-1.180	-1.225	0.000
C5	0.054	-1.871	0.000
C6	1.205	-1.082	0.000
C7	0.032	2.383	0.000
H8	-2.153	0.703	0.000
H9	-2.105	-1.794	0.000
H10	0.127	-2.954	0.000
H11	2.190	-1.549	0.000
H12	-0.974	2.810	0.000
H13	0.572	2.748	0.880
H14	0.572	2.748	-0.880

	N1	C2	C3	C4	C5	C6	C7	H8	H9	H10	H11	H12	H13	H14
N1		1.3457	2.4021	2.7966	2.4119	1.3375	2.4237	3.3755	3.8832	3.3815	2.0615	3.3502	2.7158	2.7158
C2	1.3457		1.4008	2.4110	2.7491	2.3008	1.5052	2.1597	3.4018	3.8338	3.2689	2.1639	2.1447	2.1447
C3	2.4021	1.4008		1.3928	2.3972	2.7171	2.5380	1.0862	2.1576	3.3950	3.8064	2.6525	3.2556	3.2556
C4	2.7966	2.4110	1.3928		1.3927	2.3892	3.8055	2.1595	1.0866	2.1674	3.3851	4.0401	4.4303	4.4303
C5	2.4119	2.7491	2.3972	1.3927		1.3953	4.2534	3.3903	2.1607	1.0856	2.1596	4.7923	4.7305	4.7305
C6	1.3375	2.3008	2.7171	2.3892	1.3953		3.6581	3.8028	3.3861	2.1600	1.0897	4.4607	3.9809	3.9809
C7	2.4237	1.5052	2.5380	3.8055	4.2534	3.6581		2.7554	4.6919	5.3374	4.4852	1.0929	1.0952	1.0952
H8	3.3755	2.1597	1.0862	2.1595	3.3903	3.8028	2.7554		2.4978	4.3094	4.8917	2.4140	3.5183	3.5183
H9	3.8832	3.4018	2.1576	1.0866	2.1607	3.3861	4.6919	2.4978		2.5157	4.3019	4.7411	5.3456	5.3456
H10	3.3815	3.8338	3.3950	2.1674	1.0856	2.1600	5.3374	4.3094	2.5157		2.4954	5.8682	5.7868	5.7868
H11	2.0615	3.2689	3.8064	3.3851	2.1596	1.0897	4.4852	4.8917	4.3019	2.4954		5.3864	4.6756	4.6756
H12	3.3502	2.1639	2.6525	4.0401	4.7923	4.4607	1.0929	2.4140	4.7411	5.8682	5.3864		1.7798	1.7798
H13	2.7158	2.1447	3.2556	4.4303	4.7305	3.9809	1.0952	3.5183	5.3456	5.7868	4.6756	1.7798		1.7597
H14	2.7158	2.1447	3.2556	4.4303	4.7305	3.9809	1.0952	3.5183	5.3456	5.7868	4.6756	1.7798	1.7597

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	121.799	N1	C2	C7	116.569
N1	C6	C5	123.573	N1	C6	H11	116.260
C2	N1	C6	118.627	C2	C3	C4	119.200
C2	C3	H8	120.141	C2	C7	H12	111.871
C2	C7	H13	110.009	C2	C7	H14	110.009
C3	C2	C7	121.633	C3	C4	C5	118.880
C3	C4	H9	120.388	C4	C3	H8	120.659
C4	C5	C6	117.921	C4	C5	H10	121.506
C5	C4	H9	120.732	C5	C6	H11	120.167
C6	C5	H10	120.573	H12	C7	H13	108.842
H12	C7	H14	108.842	H13	C7	H14	107.140

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

using model chemistry: B97D3/cc-pVTZ

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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Number	Element	Mulliken
1	N	-0.160
2	C	0.112
3	C	-0.115
4	C	-0.108
5	C	-0.082
6	C	-0.074
7	C	-0.240
8	H	0.098
9	H	0.098
10	H	0.105
11	H	0.100
12	H	0.077
13	H	0.094
14	H	0.094

	x	y	z	Total
	-1.644	-0.611	0.000	1.754
CHELPG
AIM
ESP

	x	y	z
x	11.929	-0.177	0.000
y	-0.177	14.551	0.000
z	0.000	0.000	6.355

<r²>	192.258
(<r²>)^1/2	13.866

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

using model chemistry: B97D3/cc-pVTZ

States and conformations

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