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	hartrees
Energy at 0K	-287.278243
Energy at 298.15K	-287.286057
HF Energy	-286.971464
Nuclear repulsion energy	272.342834

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3243	3078	14.68
2	A'	3230	3066	23.74
3	A'	3216	3052	4.57
4	A'	3199	3037	23.34
5	A'	3171	3010	16.37
6	A'	3087	2931	16.37
7	A'	1660	1575	44.86
8	A'	1640	1557	13.67
9	A'	1543	1464	12.09
10	A'	1529	1452	33.22
11	A'	1484	1409	16.76
12	A'	1456	1382	0.57
13	A'	1347	1278	5.22
14	A'	1332	1265	0.08
15	A'	1278	1213	5.24
16	A'	1197	1137	3.07
17	A'	1143	1085	1.68
18	A'	1085	1030	4.45
19	A'	1032	980	2.13
20	A'	1005	954	4.10
21	A'	826	784	0.46
22	A'	641	609	2.00
23	A'	554	526	2.16
24	A'	356	338	2.57
25	A"	3157	2997	12.11
26	A"	1526	1449	5.30
27	A"	1085	1030	5.80
28	A"	981	931	0.01
29	A"	967	917	0.01
30	A"	898	853	0.01
31	A"	770	730	35.01
32	A"	732	695	4.58
33	A"	478	454	2.88
34	A"	414	393	3.15
35	A"	201	191	2.67
36	A"	47	45	0.66

Atom	x (Å)	y (Å)	z (Å)
N1	1.190	0.253	0.000
C2	0.000	0.878	0.000
C3	-1.210	0.169	0.000
C4	-1.181	-1.226	0.000
C5	0.054	-1.873	0.000
C6	1.207	-1.084	0.000
C7	0.036	2.386	0.000
H8	-2.155	0.704	0.000
H9	-2.107	-1.794	0.000
H10	0.127	-2.956	0.000
H11	2.191	-1.550	0.000
H12	-0.969	2.815	0.000
H13	0.573	2.751	0.880
H14	0.573	2.751	-0.880

	N1	C2	C3	C4	C5	C6	C7	H8	H9	H10	H11	H12	H13	H14
N1		1.3441	2.4014	2.7947	2.4112	1.3371	2.4252	3.3750	3.8810	3.3807	2.0626	3.3499	2.7189	2.7189
C2	1.3441		1.4021	2.4125	2.7518	2.3032	1.5089	2.1617	3.4029	3.8358	3.2704	2.1655	2.1472	2.1472
C3	2.4014	1.4021		1.3953	2.4019	2.7223	2.5433	1.0855	2.1589	3.3989	3.8106	2.6561	3.2584	3.2584
C4	2.7947	2.4125	1.3953		1.3945	2.3924	3.8117	2.1611	1.0863	2.1688	3.3874	4.0457	4.4343	4.4343
C5	2.4112	2.7518	2.4019	1.3945		1.3977	4.2598	3.3939	2.1619	1.0849	2.1611	4.7982	4.7356	4.7356
C6	1.3371	2.3032	2.7223	2.3924	1.3977		3.6622	3.8073	3.3890	2.1615	1.0888	4.4644	3.9848	3.9848
C7	2.4252	1.5089	2.5433	3.8117	4.2598	3.6622		2.7625	4.6980	5.3430	4.4877	1.0927	1.0935	1.0935
H8	3.3750	2.1617	1.0855	2.1611	3.3939	3.8073	2.7625		2.4987	4.3124	4.8952	2.4209	3.5221	3.5221
H9	3.8810	3.4029	2.1589	1.0863	2.1619	3.3890	4.6980	2.4987		2.5172	4.3042	4.7473	5.3492	5.3492
H10	3.3807	3.8358	3.3989	2.1688	1.0849	2.1615	5.3430	4.3124	2.5172		2.4971	5.8734	5.7911	5.7911
H11	2.0626	3.2704	3.8106	3.3874	2.1611	1.0888	4.4877	4.8952	4.3042	2.4971		5.3885	4.6787	4.6787
H12	3.3499	2.1655	2.6561	4.0457	4.7982	4.4644	1.0927	2.4209	4.7473	5.8734	5.3885		1.7769	1.7769
H13	2.7189	2.1472	3.2584	4.4343	4.7356	3.9848	1.0935	3.5221	5.3492	5.7911	4.6787	1.7769		1.7607
H14	2.7189	2.1472	3.2584	4.4343	4.7356	3.9848	1.0935	3.5221	5.3492	5.7911	4.6787	1.7769	1.7607

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	121.951	N1	C2	C7	116.314
N1	C6	C5	123.683	N1	C6	H11	116.103
C2	N1	C6	118.412	C2	C3	C4	119.181
C2	C3	H8	120.146	C2	C7	H12	111.690
C2	C7	H13	110.167	C2	C7	H14	110.167
C3	C2	C7	121.734	C3	C4	C5	118.852
C3	C4	H9	120.398	C4	C3	H8	120.672
C4	C5	C6	117.921	C4	C5	H10	121.526
C5	C4	H9	120.750	C5	C6	H11	120.215
C6	C5	H10	120.553	H12	C7	H13	108.732
H12	C7	H14	108.732	H13	C7	H14	107.229

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

using model chemistry: B2PLYP/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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Number	Element	Mulliken
1	N	-0.502
2	C	0.293
3	C	-0.208
4	C	-0.120
5	C	-0.193
6	C	0.049
7	C	-0.504
8	H	0.163
9	H	0.172
10	H	0.167
11	H	0.166
12	H	0.155
13	H	0.181
14	H	0.181

	x	y	z
x	10.559	-0.203	0.000
y	-0.203	12.595	0.000
z	0.000	0.000	4.466

<r²>	192.020
(<r²>)^1/2	13.857

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

using model chemistry: B2PLYP/6-31G*

States and conformations

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