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	hartrees
Energy at 0K	-248.239308
Energy at 298.15K	-248.245458
Nuclear repulsion energy	206.167619

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3237	3102	5.27
2	A₁	3211	3078	4.73
3	A₁	3184	3051	7.26
4	A₁	1666	1596	24.41
5	A₁	1521	1458	3.62
6	A₁	1246	1195	2.90
7	A₁	1100	1055	5.77
8	A₁	1060	1015	2.66
9	A₁	1018	975	9.21
10	A₁	610	584	4.25
11	A₂	1012	969	0.00
12	A₂	903	866	0.00
13	A₂	384	368	0.00
14	B₁	1025	982	0.00
15	B₁	966	925	0.02
16	B₁	769	737	6.17
17	B₁	722	692	52.49
18	B₁	419	401	3.03
19	B₂	3228	3094	20.73
20	B₂	3182	3049	27.00
21	B₂	1660	1590	10.88
22	B₂	1479	1417	26.64
23	B₂	1373	1316	0.00
24	B₂	1342	1286	0.02
25	B₂	1165	1116	1.89
26	B₂	1088	1043	0.01
27	B₂	667	639	0.39

Atom	y (Å)	z (Å)
N1	0.000	1.419
C2	0.000	-1.384
C3	1.137	0.721
C4	-1.137	0.721
C5	1.196	-0.672
C6	-1.196	-0.672
H7	0.000	-2.475
H8	2.060	1.309
H9	-2.060	1.309
H10	2.159	-1.183
H11	-2.159	-1.183

	N1	C2	C3	C4	C5	C6	H7	H8	H9	H10	H11
N1		2.8030	1.3345	1.3345	2.4087	2.4087	3.8942	2.0626	2.0626	3.3811	3.3811
C2	2.8030		2.3924	2.3924	1.3917	1.3917	1.0911	3.3904	3.3904	2.1683	2.1683
C3	1.3345	2.3924		2.2745	1.3939	2.7171	3.3922	1.0940	3.2506	2.1606	3.8065
C4	1.3345	2.3924	2.2745		2.7171	1.3939	3.3922	3.2506	1.0940	3.8065	2.1606
C5	2.4087	1.3917	1.3939	2.7171		2.3915	2.1637	2.1612	3.8108	1.0904	3.3934
C6	2.4087	1.3917	2.7171	1.3939	2.3915		2.1637	3.8108	2.1612	3.3934	1.0904
H7	3.8942	1.0911	3.3922	3.3922	2.1637	2.1637		4.3084	4.3084	2.5161	2.5161
H8	2.0626	3.3904	1.0940	3.2506	2.1612	3.8108	4.3084		4.1193	2.4941	4.8997
H9	2.0626	3.3904	3.2506	1.0940	3.8108	2.1612	4.3084	4.1193		4.8997	2.4941
H10	3.3811	2.1683	2.1606	3.8065	1.0904	3.3934	2.5161	2.4941	4.8997		4.3179
H11	3.3811	2.1683	3.8065	2.1606	3.3934	1.0904	2.5161	4.8997	2.4941	4.3179

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C3	C5	123.954	N1	C3	H8	115.922
N1	C4	C6	123.954	N1	C4	H9	115.922
C2	C5	C3	118.370	C2	C5	H10	121.273
C2	C6	C4	118.370	C2	C6	H11	121.273
C3	N1	C4	116.903	C3	C5	H10	120.357
C4	C6	H11	120.357	C5	C2	C6	118.450
C5	C2	H7	120.775	C5	C3	H8	120.124
C6	C2	H7	120.775	C6	C4	H9	120.124

All results from a given calculation for C₅H₅N (Pyridine)

using model chemistry: mPW1PW91/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	-0.227
2	C	0.056
3	C	0.110
4	C	0.110
5	C	-0.071
6	C	-0.071
7	H	0.016
8	H	0.027
9	H	0.027
10	H	0.011
11	H	0.011

<r²>	121.297
(<r²>)^1/2	11.013

All results from a given calculation for C5H5N (Pyridine)

using model chemistry: mPW1PW91/cc-pVDZ

States and conformations

All results from a given calculation for C₅H₅N (Pyridine)