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	hartrees
Energy at 0K	-285.840910
Energy at 298.15K	-285.849203
HF Energy	-285.840910
Nuclear repulsion energy	275.390614

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3357	3042	11.86
2	A'	3347	3033	23.02
3	A'	3324	3013	10.47
4	A'	3311	3001	19.29
5	A'	3247	2943	23.76
6	A'	3176	2879	23.89
7	A'	1784	1617	90.03
8	A'	1760	1596	40.77
9	A'	1644	1490	28.72
10	A'	1611	1460	31.41
11	A'	1582	1434	15.27
12	A'	1538	1394	0.35
13	A'	1436	1301	11.94
14	A'	1351	1225	4.98
15	A'	1304	1182	0.27
16	A'	1209	1096	1.18
17	A'	1169	1059	18.07
18	A'	1143	1036	7.26
19	A'	1093	991	3.48
20	A'	1067	967	1.92
21	A'	871	790	0.14
22	A'	686	622	2.45
23	A'	589	534	2.13
24	A'	381	346	3.32
25	A"	3233	2930	17.86
26	A"	1596	1446	5.46
27	A"	1165	1056	4.49
28	A"	1129	1023	0.49
29	A"	1101	998	0.05
30	A"	987	895	0.07
31	A"	846	766	51.38
32	A"	815	739	13.83
33	A"	532	483	5.31
34	A"	461	418	3.75
35	A"	224	203	3.55
36	A"	76	68	0.51

Atom	x (Å)	y (Å)	z (Å)
N1	1.169	0.247	0.000
C2	0.000	0.864	0.000
C3	-1.196	0.164	0.000
C4	-1.163	-1.214	0.000
C5	0.057	-1.854	0.000
C6	1.192	-1.067	0.000
C7	0.035	2.367	0.000
H8	-2.129	0.692	0.000
H9	-2.077	-1.778	0.000
H10	0.134	-2.922	0.000
H11	2.165	-1.523	0.000
H12	-0.960	2.790	0.000
H13	0.567	2.724	0.873
H14	0.567	2.724	-0.873

	N1	C2	C3	C4	C5	C6	C7	H8	H9	H10	H11	H12	H13	H14
N1		1.3216	2.3659	2.7526	2.3771	1.3147	2.4033	3.3276	3.8260	3.3345	2.0314	3.3160	2.6941	2.6941
C2	1.3216		1.3852	2.3819	2.7183	2.2692	1.5030	2.1359	3.3607	3.7889	3.2226	2.1518	2.1312	2.1312
C3	2.3659	1.3852		1.3791	2.3753	2.6861	2.5229	1.0719	2.1331	3.3611	3.7603	2.6361	3.2277	3.2277
C4	2.7526	2.3819	1.3791		1.3779	2.3597	3.7763	2.1364	1.0734	2.1451	3.3425	4.0095	4.3891	4.3891
C5	2.3771	2.7183	2.3753	1.3779		1.3805	4.2203	3.3551	2.1355	1.0716	2.1334	4.7537	4.6878	4.6878
C6	1.3147	2.2692	2.6861	2.3597	1.3805		3.6232	3.7575	3.3450	2.1356	1.0747	4.4165	3.9401	3.9401
C7	2.4033	1.5030	2.5229	3.7763	4.2203	3.6232		2.7369	4.6519	5.2901	4.4345	1.0815	1.0826	1.0826
H8	3.3276	2.1359	1.0719	2.1364	3.3551	3.7575	2.7369		2.4701	4.2641	4.8312	2.4022	3.4868	3.4868
H9	3.8260	3.3607	2.1331	1.0734	2.1355	3.3450	4.6519	2.4701		2.4897	4.2494	4.7027	5.2931	5.2931
H10	3.3345	3.7889	3.3611	2.1451	1.0716	2.1356	5.2901	4.2641	2.4897		2.4661	5.8163	5.7298	5.7298
H11	2.0314	3.2226	3.7603	3.3425	2.1334	1.0747	4.4345	4.8312	4.2494	2.4661		5.3260	4.6210	4.6210
H12	3.3160	2.1518	2.6361	4.0095	4.7537	4.4165	1.0815	2.4022	4.7027	5.8163	5.3260		1.7596	1.7596
H13	2.6941	2.1312	3.2277	4.3891	4.6878	3.9401	1.0826	3.4868	5.2931	5.7298	4.6210	1.7596		1.7464
H14	2.6941	2.1312	3.2277	4.3891	4.6878	3.9401	1.0826	3.4868	5.2931	5.7298	4.6210	1.7596	1.7464

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	121.850	N1	C2	C7	116.461
N1	C6	C5	123.744	N1	C6	H11	116.101
C2	N1	C6	118.804	C2	C3	C4	119.003
C2	C3	H8	120.209	C2	C7	H12	111.692
C2	C7	H13	109.963	C2	C7	H14	109.963
C3	C2	C7	121.689	C3	C4	C5	118.979
C3	C4	H9	120.345	C4	C3	H8	120.788
C4	C5	C6	117.620	C4	C5	H10	121.765
C5	C4	H9	120.676	C5	C6	H11	120.155
C6	C5	H10	120.615	H12	C7	H13	108.797
H12	C7	H14	108.797	H13	C7	H14	107.524

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

using model chemistry: HF/Def2TZVPP

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	-0.431
2	C	0.277
3	C	-0.160
4	C	-0.054
5	C	-0.110
6	C	0.104
7	C	-0.181
8	H	0.081
9	H	0.096
10	H	0.090
11	H	0.077
12	H	0.062
13	H	0.075
14	H	0.075

	x	y	z	Total
	-1.742	-0.715	0.000	1.883
CHELPG
AIM
ESP

<r²>	189.155
(<r²>)^1/2	13.753

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

using model chemistry: HF/Def2TZVPP

States and conformations

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