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	hartrees
Energy at 0K	-247.988809
Energy at 298.15K	-247.994927
HF Energy	-247.988809
Nuclear repulsion energy	206.404997

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3243	3082	5.71
2	A₁	3218	3058	7.19
3	A₁	3197	3038	9.22
4	A₁	1671	1588	23.98
5	A₁	1540	1463	4.21
6	A₁	1262	1199	3.03
7	A₁	1111	1055	5.04
8	A₁	1062	1009	2.25
9	A₁	1019	969	8.58
10	A₁	611	581	4.04
11	A₂	1004	954	0.00
12	A₂	903	858	0.00
13	A₂	385	366	0.00
14	B₁	1018	967	0.00
15	B₁	964	916	0.01
16	B₁	768	730	7.90
17	B₁	721	685	54.89
18	B₁	420	399	3.35
19	B₂	3235	3074	25.55
20	B₂	3195	3036	30.17
21	B₂	1668	1585	10.25
22	B₂	1496	1422	27.67
23	B₂	1396	1327	0.00
24	B₂	1346	1279	0.01
25	B₂	1183	1124	1.75
26	B₂	1097	1043	0.05
27	B₂	670	637	0.41

Atom	y (Å)	z (Å)
N1	0.000	1.417
C2	0.000	-1.382
C3	1.137	0.720
C4	-1.137	0.720
C5	1.195	-0.671
C6	-1.195	-0.671
H7	0.000	-2.469
H8	2.055	1.308
H9	-2.055	1.308
H10	2.155	-1.180
H11	-2.155	-1.180

	N1	C2	C3	C4	C5	C6	H7	H8	H9	H10	H11
N1		2.7986	1.3336	1.3336	2.4058	2.4058	3.8856	2.0578	2.0578	3.3745	3.3745
C2	2.7986		2.3903	2.3903	1.3908	1.3908	1.0870	3.3847	3.3847	2.1642	2.1642
C3	1.3336	2.3903		2.2748	1.3927	2.7163	3.3861	1.0893	3.2458	2.1559	3.8015
C4	1.3336	2.3903	2.2748		2.7163	1.3927	3.3861	3.2458	1.0893	3.8015	2.1559
C5	2.4058	1.3908	1.3927	2.7163		2.3908	2.1589	2.1573	3.8052	1.0862	3.3887
C6	2.4058	1.3908	2.7163	1.3927	2.3908		2.1589	3.8052	2.1573	3.3887	1.0862
H7	3.8856	1.0870	3.3861	3.3861	2.1589	2.1589		4.2994	4.2994	2.5107	2.5107
H8	2.0578	3.3847	1.0893	3.2458	2.1573	3.8052	4.2994		4.1098	2.4899	4.8899
H9	2.0578	3.3847	3.2458	1.0893	3.8052	2.1573	4.2994	4.1098		4.8899	2.4899
H10	3.3745	2.1642	2.1559	3.8015	1.0862	3.3887	2.5107	2.4899	4.8899		4.3096
H11	3.3745	2.1642	3.8015	2.1559	3.3887	1.0862	2.5107	4.8899	2.4899	4.3096

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C3	C5	123.861	N1	C3	H8	115.911
N1	C4	C6	123.861	N1	C4	H9	115.911
C2	C5	C3	118.349	C2	C5	H10	121.307
C2	C6	C4	118.349	C2	C6	H11	121.307
C3	N1	C4	117.053	C3	C5	H10	120.344
C4	C6	H11	120.344	C5	C2	C6	118.527
C5	C2	H7	120.736	C5	C3	H8	120.228
C6	C2	H7	120.736	C6	C4	H9	120.228

All results from a given calculation for C₅H₅N (Pyridine)

using model chemistry: PBE1PBE/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	-0.421
2	C	-0.137
3	C	0.019
4	C	0.019
5	C	-0.188
6	C	-0.188
7	H	0.183
8	H	0.178
9	H	0.178
10	H	0.179
11	H	0.179

<r²>	120.893
(<r²>)^1/2	10.995

All results from a given calculation for C5H5N (Pyridine)

using model chemistry: PBE1PBE/6-31G*

States and conformations

All results from a given calculation for C₅H₅N (Pyridine)