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	hartrees
Energy at 0K	-287.304418
Energy at 298.15K	-287.312294
HF Energy	-287.304418
Nuclear repulsion energy	272.968119

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3237	3091	11.16
2	A'	3225	3079	18.66
3	A'	3209	3064	3.83
4	A'	3189	3045	19.33
5	A'	3165	3022	14.37
6	A'	3069	2930	16.35
7	A'	1667	1592	61.78
8	A'	1648	1573	19.17
9	A'	1524	1456	28.87
10	A'	1499	1431	28.77
11	A'	1464	1398	12.35
12	A'	1412	1348	5.61
13	A'	1341	1280	0.30
14	A'	1332	1271	5.24
15	A'	1272	1214	4.10
16	A'	1177	1124	3.96
17	A'	1131	1080	2.59
18	A'	1083	1034	4.84
19	A'	1022	976	3.31
20	A'	999	953	1.70
21	A'	829	791	0.68
22	A'	638	610	1.43
23	A'	554	529	1.54
24	A'	356	340	3.09
25	A"	3144	3002	7.61
26	A"	1476	1410	8.38
27	A"	1060	1012	6.35
28	A"	1013	968	0.11
29	A"	982	938	0.02
30	A"	901	861	0.01
31	A"	766	731	49.67
32	A"	751	717	8.14
33	A"	482	460	5.16
34	A"	414	395	3.88
35	A"	200	191	3.33
36	A"	63	60	0.82

Atom	x (Å)	y (Å)	z (Å)
N1	1.185	0.254	0.000
C2	0.000	0.877	0.000
C3	-1.207	0.168	0.000
C4	-1.177	-1.224	0.000
C5	0.057	-1.869	0.000
C6	1.206	-1.078	0.000
C7	0.033	2.379	0.000
H8	-2.153	0.703	0.000
H9	-2.102	-1.794	0.000
H10	0.132	-2.952	0.000
H11	2.191	-1.542	0.000
H12	-0.973	2.807	0.000
H13	0.571	2.742	0.881
H14	0.571	2.742	-0.881

	N1	C2	C3	C4	C5	C6	C7	H8	H9	H10	H11	H12	H13	H14
N1		1.3387	2.3942	2.7864	2.4044	1.3320	2.4172	3.3683	3.8735	3.3746	2.0588	3.3429	2.7096	2.7096
C2	1.3387		1.3999	2.4078	2.7462	2.2964	1.5026	2.1600	3.3991	3.8310	3.2637	2.1617	2.1402	2.1402
C3	2.3942	1.3999		1.3925	2.3975	2.7158	2.5348	1.0864	2.1569	3.3957	3.8048	2.6491	3.2499	3.2499
C4	2.7864	2.4078	1.3925		1.3920	2.3870	3.8005	2.1601	1.0871	2.1680	3.3832	4.0360	4.4223	4.4223
C5	2.4044	2.7462	2.3975	1.3920		1.3951	4.2480	3.3909	2.1603	1.0857	2.1596	4.7880	4.7222	4.7222
C6	1.3320	2.2964	2.7158	2.3870	1.3951		3.6503	3.8016	3.3847	2.1599	1.0895	4.4540	3.9708	3.9708
C7	2.4172	1.5026	2.5348	3.8005	4.2480	3.6503		2.7543	4.6876	5.3319	4.4759	1.0931	1.0943	1.0943
H8	3.3683	2.1600	1.0864	2.1601	3.3909	3.8016	2.7543		2.4978	4.3107	4.8902	2.4122	3.5145	3.5145
H9	3.8735	3.3991	2.1569	1.0871	2.1603	3.3847	4.6876	2.4978		2.5167	4.3011	4.7377	5.3383	5.3383
H10	3.3746	3.8310	3.3957	2.1680	1.0857	2.1599	5.3319	4.3107	2.5167		2.4956	5.8641	5.7782	5.7782
H11	2.0588	3.2637	3.8048	3.3832	2.1596	1.0895	4.4759	4.8902	4.3011	2.4956		5.3784	4.6640	4.6640
H12	3.3429	2.1617	2.6491	4.0360	4.7880	4.4540	1.0931	2.4122	4.7377	5.8641	5.3784		1.7789	1.7789
H13	2.7096	2.1402	3.2499	4.4223	4.7222	3.9708	1.0943	3.5145	5.3383	5.7782	4.6640	1.7789		1.7622
H14	2.7096	2.1402	3.2499	4.4223	4.7222	3.9708	1.0943	3.5145	5.3383	5.7782	4.6640	1.7789	1.7622

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	121.888	N1	C2	C7	116.464
N1	C6	C5	123.670	N1	C6	H11	116.105
C2	N1	C6	118.593	C2	C3	C4	119.144
C2	C3	H8	120.105	C2	C7	H12	111.805
C2	C7	H13	110.008	C2	C7	H14	110.008
C3	C2	C7	121.649	C3	C4	C5	118.866
C3	C4	H9	120.385	C4	C3	H8	120.751
C4	C5	C6	117.841	C4	C5	H10	121.601
C5	C4	H9	120.750	C5	C6	H11	120.225
C6	C5	H10	120.559	H12	C7	H13	108.825
H12	C7	H14	108.825	H13	C7	H14	107.250

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

using model chemistry: HSEh1PBE/6-31+G**

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	-0.103
2	C	-0.133
3	C	0.312
4	C	-0.443
5	C	0.108
6	C	-0.206
7	C	-0.699
8	H	0.155
9	H	0.162
10	H	0.160
11	H	0.149
12	H	0.158
13	H	0.190
14	H	0.190

	x	y	z	Total
	-1.819	-0.697	0.000	1.948
CHELPG
AIM
ESP

	x	y	z
x	11.859	-0.050	0.000
y	-0.050	13.924	0.000
z	0.000	0.000	6.807

<r²>	191.611
(<r²>)^1/2	13.842

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

using model chemistry: HSEh1PBE/6-31+G**

States and conformations

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