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	hartrees
Energy at 0K	-287.701382
Energy at 298.15K	-287.709267
HF Energy	-287.701382
Nuclear repulsion energy	273.119928

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3199	3089	11.40
2	A'	3188	3078	19.42
3	A'	3173	3063	3.81
4	A'	3151	3042	20.55
5	A'	3118	3010	16.68
6	A'	3040	2935	16.32
7	A'	1631	1575	54.23
8	A'	1613	1557	16.89
9	A'	1511	1458	21.09
10	A'	1497	1445	32.89
11	A'	1462	1411	14.34
12	A'	1416	1367	4.93
13	A'	1331	1285	7.30
14	A'	1284	1240	0.77
15	A'	1256	1213	5.74
16	A'	1180	1139	4.06
17	A'	1129	1090	1.94
18	A'	1073	1035	5.21
19	A'	1022	986	2.07
20	A'	996	961	2.59
21	A'	821	792	0.80
22	A'	645	622	1.62
23	A'	555	536	1.42
24	A'	358	345	2.87
25	A"	3096	2989	11.07
26	A"	1480	1429	7.21
27	A"	1064	1027	4.89
28	A"	1000	966	0.07
29	A"	970	937	0.00
30	A"	901	870	0.00
31	A"	764	738	50.19
32	A"	741	715	2.77
33	A"	478	461	3.67
34	A"	416	401	3.99
35	A"	199	192	3.01
36	A"	63	61	0.70

Atom	x (Å)	y (Å)	z (Å)
N1	1.183	0.250	0.000
C2	0.000	0.876	0.000
C3	-1.205	0.167	0.000
C4	-1.175	-1.222	0.000
C5	0.056	-1.868	0.000
C6	1.204	-1.081	0.000
C7	0.033	2.383	0.000
H8	-2.148	0.699	0.000
H9	-2.098	-1.790	0.000
H10	0.129	-2.948	0.000
H11	2.187	-1.546	0.000
H12	-0.971	2.810	0.000
H13	0.569	2.746	0.879
H14	0.569	2.746	-0.879

	N1	C2	C3	C4	C5	C6	C7	H8	H9	H10	H11	H12	H13	H14
N1		1.3387	2.3895	2.7803	2.3997	1.3314	2.4230	3.3615	3.8641	3.3673	2.0570	3.3453	2.7166	2.7166
C2	1.3387		1.3977	2.4051	2.7446	2.2980	1.5068	2.1552	3.3929	3.8260	3.2627	2.1637	2.1431	2.1431
C3	2.3895	1.3977		1.3902	2.3940	2.7134	2.5373	1.0828	2.1520	3.3887	3.7993	2.6529	3.2508	3.2508
C4	2.7803	2.4051	1.3902		1.3895	2.3834	3.8019	2.1540	1.0838	2.1626	3.3768	4.0376	4.4230	4.4230
C5	2.3997	2.7446	2.3940	1.3895		1.3924	4.2505	3.3832	2.1550	1.0823	2.1551	4.7891	4.7250	4.7250
C6	1.3314	2.2980	2.7134	2.3834	1.3924		3.6564	3.7957	3.3776	2.1543	1.0864	4.4576	3.9780	3.9780
C7	2.4230	1.5068	2.5373	3.8019	4.2505	3.6564		2.7547	4.6854	5.3312	4.4799	1.0904	1.0917	1.0917
H8	3.3615	2.1552	1.0828	2.1540	3.3832	3.7957	2.7547		2.4902	4.2995	4.8812	2.4169	3.5132	3.5132
H9	3.8641	3.3929	2.1520	1.0838	2.1550	3.3776	4.6854	2.4902		2.5098	4.2914	4.7365	5.3352	5.3352
H10	3.3673	3.8260	3.3887	2.1626	1.0823	2.1543	5.3312	4.2995	2.5098		2.4898	5.8618	5.7781	5.7781
H11	2.0570	3.2627	3.7993	3.3768	2.1551	1.0864	4.4799	4.8812	4.2914	2.4898		5.3793	4.6700	4.6700
H12	3.3453	2.1637	2.6529	4.0376	4.7891	4.4576	1.0904	2.4169	4.7365	5.8618	5.3793		1.7736	1.7736
H13	2.7166	2.1431	3.2508	4.4230	4.7250	3.9780	1.0917	3.5132	5.3352	5.7781	4.6700	1.7736		1.7575
H14	2.7166	2.1431	3.2508	4.4230	4.7250	3.9780	1.0917	3.5132	5.3352	5.7781	4.6700	1.7736	1.7575

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	121.660	N1	C2	C7	116.631
N1	C6	C5	123.507	N1	C6	H11	116.220
C2	N1	C6	118.777	C2	C3	C4	119.236
C2	C3	H8	120.117	C2	C7	H12	111.833
C2	C7	H13	110.100	C2	C7	H14	110.100
C3	C2	C7	121.709	C3	C4	C5	118.909
C3	C4	H9	120.373	C4	C3	H8	120.647
C4	C5	C6	117.911	C4	C5	H10	121.568
C5	C4	H9	120.718	C5	C6	H11	120.273
C6	C5	H10	120.521	H12	C7	H13	108.735
H12	C7	H14	108.735	H13	C7	H14	107.208

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

using model chemistry: B3LYP/TZVP

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	-0.041
2	C	0.016
3	C	-0.092
4	C	-0.134
5	C	-0.065
6	C	-0.140
7	C	-0.413
8	H	0.130
9	H	0.115
10	H	0.126
11	H	0.105
12	H	0.120
13	H	0.137
14	H	0.137

	x	y	z	Total
	-1.778	-0.710	0.000	1.914
CHELPG
AIM
ESP

	x	y	z
x	11.666	-0.117	0.000
y	-0.117	13.875	0.000
z	0.000	0.000	6.570

<r²>	191.741
(<r²>)^1/2	13.847

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

using model chemistry: B3LYP/TZVP

States and conformations

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