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	hartrees
Energy at 0K	-285.923606
Energy at 298.15K
HF Energy	-285.923606
Nuclear repulsion energy	272.418204

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3264	3094	5.96
2	A'	3251	3082	11.98
3	A'	3233	3064	6.22
4	A'	3226	3057	12.48
5	A'	3183	3016	11.18
6	A'	3096	2934	8.41
7	A'	1647	1561	39.81
8	A'	1633	1548	10.71
9	A'	1560	1478	23.02
10	A'	1531	1451	43.40
11	A'	1500	1422	8.07
12	A'	1469	1393	21.02
13	A'	1367	1295	7.45
14	A'	1299	1231	5.67
15	A'	1264	1198	3.15
16	A'	1227	1163	1.53
17	A'	1162	1102	2.01
18	A'	1091	1034	6.25
19	A'	1054	999	1.61
20	A'	1011	958	2.01
21	A'	835	791	1.16
22	A'	670	635	2.03
23	A'	571	542	1.90
24	A'	359	341	3.49
25	A"	3162	2997	6.95
26	A"	1546	1466	8.80
27	A"	1124	1065	15.28
28	A"	1080	1024	0.01
29	A"	1030	976	0.12
30	A"	952	902	0.00
31	A"	801	759	11.19
32	A"	794	753	52.12
33	A"	501	475	6.15
34	A"	435	412	4.55
35	A"	206	196	4.31
36	A"	74i	71i	0.89

Atom	x (Å)	y (Å)	z (Å)
N1	1.186	0.244	0.000
C2	0.000	0.882	0.000
C3	-1.205	0.176	0.000
C4	-1.177	-1.217	0.000
C5	0.053	-1.873	0.000
C6	1.211	-1.098	0.000
C7	0.031	2.392	0.000
H8	-2.145	0.713	0.000
H9	-2.103	-1.781	0.000
H10	0.117	-2.953	0.000
H11	2.187	-1.573	0.000
H12	-0.976	2.817	0.000
H13	0.570	2.747	0.884
H14	0.570	2.747	-0.884

	N1	C2	C3	C4	C5	C6	C7	H8	H9	H10	H11	H12	H13	H14
N1		1.3472	2.3921	2.7785	2.4008	1.3414	2.4391	3.3644	3.8623	3.3705	2.0739	3.3616	2.7254	2.7254
C2	1.3472		1.3963	2.4068	2.7553	2.3205	1.5100	2.1518	3.3933	3.8365	3.2877	2.1675	2.1412	2.1412
C3	2.3921	1.3963		1.3940	2.4044	2.7310	2.5368	1.0825	2.1537	3.3968	3.8161	2.6507	3.2466	3.2466
C4	2.7785	2.4068	1.3940		1.3937	2.3908	3.8059	2.1593	1.0838	2.1648	3.3824	4.0395	4.4216	4.4216
C5	2.4008	2.7553	2.4044	1.3937		1.3934	4.2646	3.3936	2.1573	1.0819	2.1546	4.8016	4.7320	4.7320
C6	1.3414	2.3205	2.7310	2.3908	1.3934		3.6834	3.8131	3.3831	2.1536	1.0855	4.4843	3.9966	3.9966
C7	2.4391	1.5100	2.5368	3.8059	4.2646	3.6834		2.7485	4.6869	5.3451	4.5129	1.0935	1.0946	1.0946
H8	3.3644	2.1518	1.0825	2.1593	3.3936	3.8131	2.7485		2.4945	4.3073	4.8979	2.4073	3.5061	3.5061
H9	3.8623	3.3933	2.1537	1.0838	2.1573	3.3831	4.6869	2.4945		2.5096	4.2941	4.7345	5.3322	5.3322
H10	3.3705	3.8365	3.3968	2.1648	1.0819	2.1536	5.3451	4.3073	2.5096		2.4872	5.8726	5.7857	5.7857
H11	2.0739	3.2877	3.8161	3.3824	2.1546	1.0855	4.5129	4.8979	4.2941	2.4872		5.4110	4.6966	4.6966
H12	3.3616	2.1675	2.6507	4.0395	4.8016	4.4843	1.0935	2.4073	4.7345	5.8726	5.4110		1.7826	1.7826
H13	2.7254	2.1412	3.2466	4.4216	4.7320	3.9966	1.0946	3.5061	5.3322	5.7857	4.6966	1.7826		1.7675
H14	2.7254	2.1412	3.2466	4.4216	4.7320	3.9966	1.0946	3.5061	5.3322	5.7857	4.6966	1.7826	1.7675

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	121.357	N1	C2	C7	117.111
N1	C6	C5	122.760	N1	C6	H11	117.025
C2	N1	C6	119.330	C2	C3	C4	119.214
C2	C3	H8	119.940	C2	C7	H12	111.725
C2	C7	H13	109.555	C2	C7	H14	109.555
C3	C2	C7	121.532	C3	C4	C5	119.196
C3	C4	H9	120.220	C4	C3	H8	120.846
C4	C5	C6	118.144	C4	C5	H10	121.448
C5	C4	H9	120.584	C5	C6	H11	120.215
C6	C5	H10	120.408	H12	C7	H13	109.118
H12	C7	H14	109.118	H13	C7	H14	107.680

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

using model chemistry: wB97X-D/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	-0.579
2	C	0.267
3	C	-0.250
4	C	-0.177
5	C	-0.282
6	C	0.049
7	C	-0.634
8	H	0.220
9	H	0.232
10	H	0.225
11	H	0.237
12	H	0.207
13	H	0.243
14	H	0.243

	x	y	z	Total
	-1.769	-0.694	0.000	1.900
CHELPG
AIM
ESP

	x	y	z
x	9.852	-0.288	0.000
y	-0.288	11.861	0.000
z	0.000	0.000	3.686

<r²>	191.868
(<r²>)^1/2	13.852

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

using model chemistry: wB97X-D/3-21G*

States and conformations

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