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	hartrees
Energy at 0K	-247.983034
Energy at 298.15K	-247.989015
Nuclear repulsion energy	205.160663

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3135	3103	8.18
2	A₁	3111	3079	3.72
3	A₁	3081	3049	8.72
4	A₁	1579	1563	20.67
5	A₁	1466	1451	3.04
6	A₁	1211	1199	2.09
7	A₁	1066	1055	3.18
8	A₁	1024	1013	4.00
9	A₁	979	969	7.85
10	A₁	588	582	4.35
11	A₂	961	951	0.00
12	A₂	874	865	0.00
13	A₂	361	357	0.00
14	B₁	977	966	0.00
15	B₁	928	919	0.00
16	B₁	748	740	3.01
17	B₁	701	693	43.41
18	B₁	400	396	2.87
19	B₂	3126	3094	25.62
20	B₂	3078	3047	30.77
21	B₂	1577	1561	7.62
22	B₂	1427	1412	23.26
23	B₂	1334	1320	0.01
24	B₂	1306	1293	0.29
25	B₂	1137	1126	1.25
26	B₂	1051	1040	0.10
27	B₂	643	637	0.27

Atom	y (Å)	z (Å)
N1	0.000	1.429
C2	0.000	-1.390
C3	1.144	0.723
C4	-1.144	0.723
C5	1.201	-0.675
C6	-1.201	-0.675
H7	0.000	-2.484
H8	2.069	1.312
H9	-2.069	1.312
H10	2.167	-1.188
H11	-2.167	-1.188

	N1	C2	C3	C4	C5	C6	H7	H8	H9	H10	H11
N1		2.8197	1.3441	1.3441	2.4232	2.4232	3.9132	2.0723	2.0723	3.3975	3.3975
C2	2.8197		2.4032	2.4032	1.3978	1.3978	1.0935	3.4036	3.4036	2.1760	2.1760
C3	1.3441	2.4032		2.2875	1.3997	2.7302	3.4049	1.0968	3.2663	2.1675	3.8222
C4	1.3441	2.4032	2.2875		2.7302	1.3997	3.4049	3.2663	1.0968	3.8222	2.1675
C5	2.4232	1.3978	1.3997	2.7302		2.4022	2.1711	2.1687	3.8267	1.0930	3.4064
C6	2.4232	1.3978	2.7302	1.3997	2.4022		2.1711	3.8267	2.1687	3.4064	1.0930
H7	3.9132	1.0935	3.4049	3.4049	2.1711	2.1711		4.3232	4.3232	2.5246	2.5246
H8	2.0723	3.4036	1.0968	3.2663	2.1687	3.8267	4.3232		4.1380	2.5018	4.9182
H9	2.0723	3.4036	3.2663	1.0968	3.8267	2.1687	4.3232	4.1380		4.9182	2.5018
H10	3.3975	2.1760	2.1675	3.8222	1.0930	3.4064	2.5246	2.5018	4.9182		4.3330
H11	3.3975	2.1760	3.8222	2.1675	3.4064	1.0930	2.5246	4.9182	2.5018	4.3330

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C3	C5	124.037	N1	C3	H8	115.837
N1	C4	C6	124.037	N1	C4	H9	115.837
C2	C5	C3	118.418	C2	C5	H10	121.275
C2	C6	C4	118.418	C2	C6	H11	121.275
C3	N1	C4	116.622	C3	C5	H10	120.307
C4	C6	H11	120.307	C5	C2	C6	118.467
C5	C2	H7	120.766	C5	C3	H8	120.126
C6	C2	H7	120.766	C6	C4	H9	120.126

All results from a given calculation for C₅H₅N (Pyridine)

using model chemistry: PBEPBE/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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Number	Element	Mulliken
1	N	-0.262
2	C	-0.084
3	C	0.015
4	C	0.015
5	C	-0.120
6	C	-0.120
7	H	0.113
8	H	0.114
9	H	0.114
10	H	0.107
11	H	0.107

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for C5H5N (Pyridine)

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

States and conformations

All results from a given calculation for C₅H₅N (Pyridine)