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	hartrees
Energy at 0K	-248.009700
Energy at 298.15K	-248.015819
Nuclear repulsion energy	206.413619

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3243	3084	6.48
2	A₁	3218	3060	7.22
3	A₁	3196	3039	10.04
4	A₁	1669	1587	24.05
5	A₁	1539	1464	4.04
6	A₁	1261	1200	3.02
7	A₁	1110	1056	4.80
8	A₁	1061	1009	2.43
9	A₁	1019	970	8.56
10	A₁	612	582	4.09
11	A₂	1003	954	0.00
12	A₂	903	859	0.00
13	A₂	385	366	0.00
14	B₁	1017	968	0.00
15	B₁	964	917	0.01
16	B₁	768	731	7.94
17	B₁	721	686	53.48
18	B₁	420	400	3.35
19	B₂	3235	3076	27.01
20	B₂	3193	3037	31.78
21	B₂	1666	1584	10.20
22	B₂	1496	1423	27.49
23	B₂	1397	1328	0.00
24	B₂	1345	1279	0.02
25	B₂	1183	1125	1.73
26	B₂	1097	1043	0.07
27	B₂	671	638	0.40

Atom	y (Å)	z (Å)
N1	0.000	1.412
C2	0.000	-1.385
C3	1.138	0.725
C4	-1.138	0.725
C5	1.194	-0.671
C6	-1.194	-0.671
H7	0.000	-2.467
H8	2.052	1.307
H9	-2.052	1.307
H10	2.147	-1.185
H11	-2.147	-1.185

	N1	C2	C3	C4	C5	C6	H7	H8	H9	H10	H11
N1		2.7969	1.3296	1.3296	2.4010	2.4010	3.8788	2.0543	2.0543	3.3698	3.3698
C2	2.7969		2.3969	2.3969	1.3911	1.3911	1.0819	3.3844	3.3844	2.1563	2.1563
C3	1.3296	2.3969		2.2763	1.3967	2.7178	3.3882	1.0833	3.2425	2.1599	3.8000
C4	1.3296	2.3969	2.2763		2.7178	1.3967	3.3882	3.2425	1.0833	3.8000	2.1599
C5	2.4010	1.3911	1.3967	2.7178		2.3880	2.1565	2.1558	3.8008	1.0829	3.3804
C6	2.4010	1.3911	2.7178	1.3967	2.3880		2.1565	3.8008	2.1558	3.3804	1.0829
H7	3.8788	1.0819	3.3882	3.3882	2.1565	2.1565		4.2953	4.2953	2.5005	2.5005
H8	2.0543	3.3844	1.0833	3.2425	2.1558	3.8008	4.2953		4.1033	2.4939	4.8825
H9	2.0543	3.3844	3.2425	1.0833	3.8008	2.1558	4.2953	4.1033		4.8825	2.4939
H10	3.3698	2.1563	2.1599	3.8000	1.0829	3.3804	2.5005	2.4939	4.8825		4.2941
H11	3.3698	2.1563	3.8000	2.1599	3.3804	1.0829	2.5005	4.8825	2.4939	4.2941

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C3	C5	123.425	N1	C3	H8	116.355
N1	C4	C6	123.425	N1	C4	H9	116.355
C2	C5	C3	118.582	C2	C5	H10	120.777
C2	C6	C4	118.582	C2	C6	H11	120.777
C3	N1	C4	117.734	C3	C5	H10	120.641
C4	C6	H11	120.641	C5	C2	C6	118.251
C5	C2	H7	120.874	C5	C3	H8	120.220
C6	C2	H7	120.874	C6	C4	H9	120.220

All results from a given calculation for C₅H₅N (Pyridine)

using model chemistry: HSEh1PBE/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	-0.418
2	C	-0.135
3	C	0.020
4	C	0.020
5	C	-0.182
6	C	-0.182
7	H	0.180
8	H	0.174
9	H	0.174
10	H	0.175
11	H	0.175

<r²>	120.890
(<r²>)^1/2	10.995

All results from a given calculation for C5H5N (Pyridine)

using model chemistry: HSEh1PBE/6-31G*

States and conformations

All results from a given calculation for C₅H₅N (Pyridine)