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	hartrees
Energy at 0K	-248.320224
Energy at 298.15K	-248.326322
HF Energy	-248.320224
Nuclear repulsion energy	206.044360

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3199	3087	9.90
2	A₁	3174	3063	7.30
3	A₁	3152	3042	10.38
4	A₁	1622	1566	22.86
5	A₁	1513	1460	3.18
6	A₁	1245	1201	2.40
7	A₁	1093	1054	2.85
8	A₁	1043	1006	4.97
9	A₁	1002	967	7.20
10	A₁	598	577	4.65
11	A₂	1000	965	0.00
12	A₂	906	874	0.00
13	A₂	377	364	0.00
14	B₁	1015	979	0.00
15	B₁	964	931	0.01
16	B₁	767	740	6.91
17	B₁	722	697	42.78
18	B₁	413	399	3.12
19	B₂	3190	3078	35.78
20	B₂	3150	3040	30.70
21	B₂	1615	1559	7.99
22	B₂	1468	1417	25.57
23	B₂	1382	1333	0.04
24	B₂	1305	1259	0.05
25	B₂	1170	1129	1.56
26	B₂	1076	1039	0.24
27	B₂	655	632	0.28

Atom	y (Å)	z (Å)
N1	0.000	1.422
C2	0.000	-1.385
C3	1.140	0.721
C4	-1.140	0.721
C5	1.197	-0.673
C6	-1.197	-0.673
H7	0.000	-2.470
H8	2.056	1.307
H9	-2.056	1.307
H10	2.155	-1.182
H11	-2.155	-1.182

	N1	C2	C3	C4	C5	C6	H7	H8	H9	H10	H11
N1		2.8066	1.3384	1.3384	2.4123	2.4123	3.8922	2.0595	2.0595	3.3797	3.3797
C2	2.8066		2.3940	2.3940	1.3925	1.3925	1.0856	3.3872	3.3872	2.1644	2.1644
C3	1.3384	2.3940		2.2799	1.3943	2.7204	3.3884	1.0879	3.2496	2.1561	3.8045
C4	1.3384	2.3940	2.2799		2.7204	1.3943	3.3884	3.2496	1.0879	3.8045	2.1561
C5	2.4123	1.3925	1.3943	2.7204		2.3934	2.1596	2.1581	3.8080	1.0850	3.3900
C6	2.4123	1.3925	2.7204	1.3943	2.3934		2.1596	3.8080	2.1581	3.3900	1.0850
H7	3.8922	1.0856	3.3884	3.3884	2.1596	2.1596		4.3007	4.3007	2.5107	2.5107
H8	2.0595	3.3872	1.0879	3.2496	2.1581	3.8080	4.3007		4.1127	2.4907	4.8916
H9	2.0595	3.3872	3.2496	1.0879	3.8080	2.1581	4.3007	4.1127		4.8916	2.4907
H10	3.3797	2.1644	2.1561	3.8045	1.0850	3.3900	2.5107	2.4907	4.8916		4.3097
H11	3.3797	2.1644	3.8045	2.1561	3.3900	1.0850	2.5107	4.8916	2.4907	4.3097

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C3	C5	123.937	N1	C3	H8	115.783
N1	C4	C6	123.937	N1	C4	H9	115.783
C2	C5	C3	118.419	C2	C5	H10	121.260
C2	C6	C4	118.419	C2	C6	H11	121.260
C3	N1	C4	116.795	C3	C5	H10	120.321
C4	C6	H11	120.321	C5	C2	C6	118.494
C5	C2	H7	120.753	C5	C3	H8	120.280
C6	C2	H7	120.753	C6	C4	H9	120.280

All results from a given calculation for C₅H₅N (Pyridine)

using model chemistry: TPSSh/6-31G(2df,p)

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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All results from a given calculation for C5H5N (Pyridine)

using model chemistry: TPSSh/6-31G(2df,p)

States and conformations

All results from a given calculation for C₅H₅N (Pyridine)