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	hartrees
Energy at 0K	-287.379314
Energy at 298.15K	-287.387235
HF Energy	-287.379314
Nuclear repulsion energy	274.070672

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3214	3089	10.48
2	A'	3202	3078	17.71
3	A'	3186	3062	3.87
4	A'	3159	3036	21.01
5	A'	3144	3022	13.75
6	A'	3055	2936	13.83
7	A'	1659	1594	59.50
8	A'	1641	1577	19.33
9	A'	1522	1462	30.09
10	A'	1494	1436	30.20
11	A'	1461	1404	11.16
12	A'	1403	1349	5.22
13	A'	1331	1279	5.24
14	A'	1320	1268	0.95
15	A'	1270	1221	5.73
16	A'	1174	1128	4.15
17	A'	1130	1086	1.93
18	A'	1082	1040	5.08
19	A'	1023	983	4.43
20	A'	996	957	1.52
21	A'	828	796	0.68
22	A'	640	615	1.94
23	A'	554	533	1.74
24	A'	354	340	2.81
25	A"	3121	2999	8.14
26	A"	1469	1412	7.13
27	A"	1061	1019	6.08
28	A"	1022	982	0.16
29	A"	989	950	0.04
30	A"	907	871	0.01
31	A"	771	741	34.45
32	A"	760	730	14.14
33	A"	484	466	4.53
34	A"	416	399	3.32
35	A"	201	193	2.80
36	A"	64	62	0.70

Atom	x (Å)	y (Å)	z (Å)
N1	1.181	0.253	0.000
C2	0.000	0.871	0.000
C3	-1.201	0.167	0.000
C4	-1.170	-1.218	0.000
C5	0.057	-1.860	0.000
C6	1.200	-1.073	0.000
C7	0.030	2.369	0.000
H8	-2.143	0.699	0.000
H9	-2.093	-1.787	0.000
H10	0.132	-2.939	0.000
H11	2.182	-1.537	0.000
H12	-0.973	2.795	0.000
H13	0.567	2.731	0.878
H14	0.567	2.731	-0.878

	N1	C2	C3	C4	C5	C6	C7	H8	H9	H10	H11	H12	H13	H14
N1		1.3329	2.3830	2.7735	2.3931	1.3261	2.4087	3.3540	3.8571	3.3602	2.0515	3.3313	2.6995	2.6995
C2	1.3329		1.3925	2.3952	2.7318	2.2850	1.4981	2.1504	3.3834	3.8131	3.2504	2.1552	2.1332	2.1332
C3	2.3830	1.3925		1.3852	2.3848	2.7019	2.5235	1.0829	2.1475	3.3796	3.7880	2.6379	3.2363	3.2363
C4	2.7735	2.3952	1.3852		1.3846	2.3749	3.7833	2.1505	1.0836	2.1580	3.3678	4.0177	4.4030	4.4030
C5	2.3931	2.7318	2.3848	1.3846		1.3879	4.2291	3.3749	2.1507	1.0821	2.1499	4.7668	4.7016	4.7016
C6	1.3261	2.2850	2.7019	2.3749	1.3879		3.6356	3.7842	3.3694	2.1505	1.0865	4.4361	3.9548	3.9548
C7	2.4087	1.4981	2.5235	3.7833	4.2291	3.6356		2.7413	4.6672	5.3096	4.4601	1.0897	1.0911	1.0911
H8	3.3540	2.1504	1.0829	2.1505	3.3749	3.7842	2.7413		2.4869	4.2914	4.8698	2.4000	3.4996	3.4996
H9	3.8571	3.3834	2.1475	1.0836	2.1507	3.3694	4.6672	2.4869		2.5052	4.2824	4.7164	5.3159	5.3159
H10	3.3602	3.8131	3.3796	2.1580	1.0821	2.1505	5.3096	4.2914	2.5052		2.4841	5.8393	5.7542	5.7542
H11	2.0515	3.2504	3.7880	3.3678	2.1499	1.0865	4.4601	4.8698	4.2824	2.4841		5.3592	4.6472	4.6472
H12	3.3313	2.1552	2.6379	4.0177	4.7668	4.4361	1.0897	2.4000	4.7164	5.8393	5.3592		1.7743	1.7743
H13	2.6995	2.1332	3.2363	4.4030	4.7016	3.9548	1.0911	3.4996	5.3159	5.7542	4.6472	1.7743		1.7566
H14	2.6995	2.1332	3.2363	4.4030	4.7016	3.9548	1.0911	3.4996	5.3159	5.7542	4.6472	1.7743	1.7566

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	121.935	N1	C2	C7	116.486
N1	C6	C5	123.696	N1	C6	H11	116.140
C2	N1	C6	118.487	C2	C3	C4	119.158
C2	C3	H8	120.105	C2	C7	H12	111.805
C2	C7	H13	109.951	C2	C7	H14	109.951
C3	C2	C7	121.580	C3	C4	C5	118.856
C3	C4	H9	120.395	C4	C3	H8	120.737
C4	C5	C6	117.870	C4	C5	H10	121.566
C5	C4	H9	120.749	C5	C6	H11	120.164
C6	C5	H10	120.564	H12	C7	H13	108.897
H12	C7	H14	108.897	H13	C7	H14	107.220

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

using model chemistry: HSEh1PBE/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	-0.177
2	C	0.112
3	C	-0.149
4	C	-0.113
5	C	-0.121
6	C	-0.075
7	C	-0.267
8	H	0.117
9	H	0.119
10	H	0.127
11	H	0.120
12	H	0.088
13	H	0.109
14	H	0.109

	x	y	z	Total
	-1.668	-0.636	0.000	1.785
CHELPG
AIM
ESP

	x	y	z
x	11.549	-0.180	0.000
y	-0.180	13.966	0.000
z	0.000	0.000	6.260

<r²>	190.092
(<r²>)^1/2	13.787

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

using model chemistry: HSEh1PBE/cc-pVTZ

States and conformations

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