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	hartrees
Energy at 0K	-285.885313
Energy at 298.15K
HF Energy	-285.885313
Nuclear repulsion energy	272.010941

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3247	3076	3.58
2	A'	3232	3061	5.14
3	A'	3221	3051	1.70
4	A'	3137	2972	10.26
5	A'	3135	2969	8.92
6	A'	3058	2897	5.90
7	A'	1645	1558	40.43
8	A'	1633	1546	11.84
9	A'	1555	1473	22.30
10	A'	1521	1441	43.41
11	A'	1491	1412	6.56
12	A'	1462	1385	15.65
13	A'	1353	1281	6.58
14	A'	1296	1228	4.61
15	A'	1249	1183	2.31
16	A'	1211	1147	1.31
17	A'	1155	1094	1.60
18	A'	1089	1031	5.86
19	A'	1049	994	2.09
20	A'	1006	953	2.14
21	A'	835	791	0.85
22	A'	664	629	2.08
23	A'	568	538	2.27
24	A'	353	334	3.32
25	A"	3129	2963	4.12
26	A"	1537	1456	7.71
27	A"	1121	1062	13.11
28	A"	1090	1033	0.02
29	A"	1031	976	0.66
30	A"	957	906	0.00
31	A"	806	763	57.01
32	A"	797	755	1.99
33	A"	499	473	5.56
34	A"	435	412	5.42
35	A"	210	199	4.45
36	A"	65i	62i	0.55

Atom	x (Å)	y (Å)	z (Å)
N1	1.193	0.248	0.000
C2	0.000	0.881	0.000
C3	-1.207	0.176	0.000
C4	-1.182	-1.218	0.000
C5	0.048	-1.873	0.000
C6	1.208	-1.098	0.000
C7	0.037	2.391	0.000
H8	-2.145	0.717	0.000
H9	-2.107	-1.783	0.000
H10	0.111	-2.953	0.000
H11	2.184	-1.568	0.000
H12	-0.971	2.813	0.000
H13	0.577	2.744	0.883
H14	0.577	2.744	-0.883

	N1	C2	C3	C4	C5	C6	C7	H8	H9	H10	H11	H12	H13	H14
N1		1.3508	2.4009	2.7916	2.4104	1.3458	2.4356	3.3705	3.8749	3.3793	2.0689	3.3562	2.7189	2.7189
C2	1.3508		1.3975	2.4094	2.7548	2.3184	1.5107	2.1508	3.3965	3.8360	3.2817	2.1623	2.1415	2.1415
C3	2.4009	1.3975		1.3946	2.4031	2.7299	2.5402	1.0826	2.1561	3.3954	3.8131	2.6476	3.2495	3.2495
C4	2.7916	2.4094	1.3946		1.3942	2.3932	3.8099	2.1611	1.0833	2.1639	3.3846	4.0370	4.4250	4.4250
C5	2.4104	2.7548	2.4031	1.3942		1.3949	4.2646	3.3937	2.1570	1.0818	2.1574	4.7960	4.7312	4.7312
C6	1.3458	2.3184	2.7299	2.3932	1.3949		3.6805	3.8120	3.3847	2.1555	1.0837	4.4769	3.9927	3.9927
C7	2.4356	1.5107	2.5402	3.8099	4.2646	3.6805		2.7498	4.6925	5.3451	4.5045	1.0921	1.0943	1.0943
H8	3.3705	2.1508	1.0826	2.1611	3.3937	3.8120	2.7498		2.5002	4.3077	4.8947	2.4026	3.5072	3.5072
H9	3.8749	3.3965	2.1561	1.0833	2.1570	3.3847	4.6925	2.5002		2.5074	4.2962	4.7346	5.3370	5.3370
H10	3.3793	3.8360	3.3954	2.1639	1.0818	2.1555	5.3451	4.3077	2.5074		2.4934	5.8671	5.7847	5.7847
H11	2.0689	3.2817	3.8131	3.3846	2.1574	1.0837	4.5045	4.8947	4.2962	2.4934		5.3992	4.6864	4.6864
H12	3.3562	2.1623	2.6476	4.0370	4.7960	4.4769	1.0921	2.4026	4.7346	5.8671	5.3992		1.7837	1.7837
H13	2.7189	2.1415	3.2495	4.4250	4.7312	3.9927	1.0943	3.5072	5.3370	5.7847	4.6864	1.7837		1.7667
H14	2.7189	2.1415	3.2495	4.4250	4.7312	3.9927	1.0943	3.5072	5.3370	5.7847	4.6864	1.7837	1.7667

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	121.750	N1	C2	C7	116.568
N1	C6	C5	123.155	N1	C6	H11	116.352
C2	N1	C6	118.575	C2	C3	C4	119.300
C2	C3	H8	119.742	C2	C7	H12	111.337
C2	C7	H13	109.548	C2	C7	H14	109.548
C3	C2	C7	121.682	C3	C4	C5	119.018
C3	C4	H9	120.429	C4	C3	H8	120.958
C4	C5	C6	118.202	C4	C5	H10	121.328
C5	C4	H9	120.553	C5	C6	H11	120.493
C6	C5	H10	120.470	H12	C7	H13	109.338
H12	C7	H14	109.338	H13	C7	H14	107.655

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

using model chemistry: M06-2X/3-21G*

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	-0.565
2	C	0.226
3	C	-0.228
4	C	-0.172
5	C	-0.268
6	C	0.056
7	C	-0.577
8	H	0.210
9	H	0.222
10	H	0.215
11	H	0.227
12	H	0.194
13	H	0.230
14	H	0.230

	x	y	z	Total
	-1.756	-0.699	0.000	1.890
CHELPG
AIM
ESP

	x	y	z
x	9.782	-0.276	0.000
y	-0.276	11.807	0.000
z	0.000	0.000	3.656

<r²>	192.635
(<r²>)^1/2	13.879

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

using model chemistry: M06-2X/3-21G*

States and conformations

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