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	hartrees
Energy at 0K	-287.523590
Energy at 298.15K
HF Energy	-287.523590
Nuclear repulsion energy	272.889985

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3246	3092	11.73
2	A'	3235	3082	19.98
3	A'	3217	3065	5.82
4	A'	3204	3052	18.01
5	A'	3167	3017	16.57
6	A'	3074	2928	19.02
7	A'	1679	1599	61.65
8	A'	1658	1580	21.00
9	A'	1537	1465	26.41
10	A'	1508	1437	30.39
11	A'	1475	1405	12.78
12	A'	1426	1358	4.86
13	A'	1346	1283	5.74
14	A'	1314	1252	0.95
15	A'	1275	1215	3.61
16	A'	1186	1129	4.98
17	A'	1139	1085	2.42
18	A'	1089	1037	4.84
19	A'	1028	979	2.86
20	A'	1006	959	1.77
21	A'	830	791	0.57
22	A'	643	612	1.48
23	A'	559	532	1.54
24	A'	363	346	3.18
25	A"	3151	3002	9.41
26	A"	1482	1412	8.35
27	A"	1069	1018	6.07
28	A"	1023	975	0.04
29	A"	984	938	0.07
30	A"	903	860	0.09
31	A"	765	728	47.72
32	A"	755	719	11.22
33	A"	484	461	5.01
34	A"	417	397	4.24
35	A"	198	189	3.85
36	A"	73i	70i	0.51

Atom	x (Å)	y (Å)	z (Å)
N1	1.186	0.252	0.000
C2	0.000	0.876	0.000
C3	-1.207	0.168	0.000
C4	-1.177	-1.223	0.000
C5	0.055	-1.869	0.000
C6	1.205	-1.080	0.000
C7	0.034	2.382	0.000
H8	-2.152	0.703	0.000
H9	-2.103	-1.792	0.000
H10	0.130	-2.952	0.000
H11	2.189	-1.546	0.000
H12	-0.971	2.812	0.000
H13	0.572	2.743	0.882
H14	0.572	2.743	-0.882

	N1	C2	C3	C4	C5	C6	C7	H8	H9	H10	H11	H12	H13	H14
N1		1.3396	2.3940	2.7860	2.4041	1.3331	2.4210	3.3679	3.8724	3.3734	2.0595	3.3466	2.7125	2.7125
C2	1.3396		1.3993	2.4072	2.7461	2.2981	1.5065	2.1591	3.3976	3.8300	3.2648	2.1655	2.1425	2.1425
C3	2.3940	1.3993		1.3922	2.3970	2.7164	2.5383	1.0857	2.1557	3.3945	3.8044	2.6542	3.2515	3.2515
C4	2.7860	2.4072	1.3922		1.3915	2.3869	3.8040	2.1588	1.0864	2.1671	3.3820	4.0408	4.4241	4.4241
C5	2.4041	2.7461	2.3970	1.3915		1.3946	4.2517	3.3894	2.1595	1.0849	2.1584	4.7924	4.7244	4.7244
C6	1.3331	2.2981	2.7164	2.3869	1.3946		3.6553	3.8015	3.3839	2.1580	1.0885	4.4593	3.9748	3.9748
C7	2.4210	1.5065	2.5383	3.8040	4.2517	3.6553		2.7572	4.6900	5.3348	4.4803	1.0930	1.0938	1.0938
H8	3.3679	2.1591	1.0857	2.1588	3.3894	3.8015	2.7572		2.4956	4.3086	4.8891	2.4177	3.5159	3.5159
H9	3.8724	3.3976	2.1557	1.0864	2.1595	3.3839	4.6900	2.4956		2.5161	4.2992	4.7416	5.3389	5.3389
H10	3.3734	3.8300	3.3945	2.1671	1.0849	2.1580	5.3348	4.3086	2.5161		2.4931	5.8678	5.7796	5.7796
H11	2.0595	3.2648	3.8044	3.3820	2.1584	1.0885	4.4803	4.8891	4.2992	2.4931		5.3828	4.6679	4.6679
H12	3.3466	2.1655	2.6542	4.0408	4.7924	4.4593	1.0930	2.4177	4.7416	5.8678	5.3828		1.7779	1.7779
H13	2.7125	2.1425	3.2515	4.4241	4.7244	3.9748	1.0938	3.5159	5.3389	5.7796	4.6679	1.7779		1.7631
H14	2.7125	2.1425	3.2515	4.4241	4.7244	3.9748	1.0938	3.5159	5.3389	5.7796	4.6679	1.7779	1.7631

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	121.863	N1	C2	C7	116.438
N1	C6	C5	123.602	N1	C6	H11	116.160
C2	N1	C6	118.597	C2	C3	C4	119.165
C2	C3	H8	120.128	C2	C7	H12	111.839
C2	C7	H13	109.950	C2	C7	H14	109.950
C3	C2	C7	121.699	C3	C4	C5	118.877
C3	C4	H9	120.353	C4	C3	H8	120.707
C4	C5	C6	117.896	C4	C5	H10	121.619
C5	C4	H9	120.770	C5	C6	H11	120.238
C6	C5	H10	120.485	H12	C7	H13	108.787
H12	C7	H14	108.787	H13	C7	H14	107.415

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

using model chemistry: wB97X-D/cc-pVDZ

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	-0.156
2	C	-0.090
3	C	0.238
4	C	-0.388
5	C	0.047
6	C	-0.163
7	C	-0.628
8	H	0.154
9	H	0.162
10	H	0.161
11	H	0.148
12	H	0.150
13	H	0.183
14	H	0.183

	x	y	z	Total
	-1.854	-0.736	0.000	1.994
CHELPG
AIM
ESP

	x	y	z
x	11.795	-0.048	0.000
y	-0.048	13.718	0.000
z	0.000	0.000	6.819

<r²>	191.680
(<r²>)^1/2	13.845

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

using model chemistry: wB97X-D/cc-pVDZ

States and conformations

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