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	hartrees
Energy at 0K	-248.170697
Energy at 298.15K	-248.176807
Nuclear repulsion energy	206.783967

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3248	3083	6.28
2	A₁	3223	3059	7.84
3	A₁	3201	3039	10.26
4	A₁	1672	1588	23.33
5	A₁	1541	1463	3.91
6	A₁	1263	1199	2.93
7	A₁	1110	1053	4.68
8	A₁	1062	1008	1.70
9	A₁	1017	966	8.62
10	A₁	605	574	4.11
11	A₂	1005	954	0.00
12	A₂	905	859	0.00
13	A₂	383	364	0.00
14	B₁	1020	968	0.00
15	B₁	965	916	0.02
16	B₁	767	728	8.54
17	B₁	721	685	49.87
18	B₁	418	397	3.35
19	B₂	3240	3076	27.44
20	B₂	3199	3036	32.44
21	B₂	1671	1587	10.55
22	B₂	1498	1422	26.74
23	B₂	1398	1327	0.00
24	B₂	1343	1275	0.01
25	B₂	1183	1123	1.69
26	B₂	1098	1042	0.11
27	B₂	667	633	0.42

Atom	y (Å)	z (Å)
N1	0.000	1.414
C2	0.000	-1.380
C3	1.135	0.719
C4	-1.135	0.719
C5	1.193	-0.670
C6	-1.193	-0.670
H7	0.000	-2.464
H8	2.051	1.305
H9	-2.051	1.305
H10	2.151	-1.178
H11	-2.151	-1.178

	N1	C2	C3	C4	C5	C6	H7	H8	H9	H10	H11
N1		2.7937	1.3310	1.3310	2.4014	2.4014	3.8784	2.0542	2.0542	3.3681	3.3681
C2	2.7937		2.3862	2.3862	1.3882	1.3882	1.0848	3.3783	3.3783	2.1600	2.1600
C3	1.3310	2.3862		2.2705	1.3905	2.7114	3.3800	1.0871	3.2398	2.1519	3.7943
C4	1.3310	2.3862	2.2705		2.7114	1.3905	3.3800	3.2398	1.0871	3.7943	2.1519
C5	2.4014	1.3882	1.3905	2.7114		2.3862	2.1548	2.1531	3.7981	1.0839	3.3820
C6	2.4014	1.3882	2.7114	1.3905	2.3862		2.1548	3.7981	2.1531	3.3820	1.0839
H7	3.8784	1.0848	3.3800	3.3800	2.1548	2.1548		4.2911	4.2911	2.5059	2.5059
H8	2.0542	3.3783	1.0871	3.2398	2.1531	3.7981	4.2911		4.1025	2.4848	4.8805
H9	2.0542	3.3783	3.2398	1.0871	3.7981	2.1531	4.2911	4.1025		4.8805	2.4848
H10	3.3681	2.1600	2.1519	3.7943	1.0839	3.3820	2.5059	2.4848	4.8805		4.3011
H11	3.3681	2.1600	3.7943	2.1519	3.3820	1.0839	2.5059	4.8805	2.4848	4.3011

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C3	C5	123.850	N1	C3	H8	115.949
N1	C4	C6	123.850	N1	C4	H9	115.949
C2	C5	C3	118.357	C2	C5	H10	121.305
C2	C6	C4	118.357	C2	C6	H11	121.305
C3	N1	C4	117.067	C3	C5	H10	120.337
C4	C6	H11	120.337	C5	C2	C6	118.517
C5	C2	H7	120.741	C5	C3	H8	120.200
C6	C2	H7	120.741	C6	C4	H9	120.200

All results from a given calculation for C₅H₅N (Pyridine)

using model chemistry: B1B95/6-31G*

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	-0.414
2	C	-0.128
3	C	0.023
4	C	0.023
5	C	-0.171
6	C	-0.171
7	H	0.171
8	H	0.166
9	H	0.166
10	H	0.167
11	H	0.167

<r²>	120.489
(<r²>)^1/2	10.977

All results from a given calculation for C5H5N (Pyridine)

using model chemistry: B1B95/6-31G*

States and conformations

All results from a given calculation for C₅H₅N (Pyridine)