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	hartrees
Energy at 0K	-248.009945
Energy at 298.15K	-248.016040
HF Energy	-247.746942
Nuclear repulsion energy	205.835764

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3243	3078	6.67
2	A₁	3220	3056	8.92
3	A₁	3203	3040	9.13
4	A₁	1652	1568	21.69
5	A₁	1538	1460	3.84
6	A₁	1262	1198	2.49
7	A₁	1107	1051	3.34
8	A₁	1056	1002	4.75
9	A₁	1014	962	6.86
10	A₁	615	583	4.24
11	A₂	987	937	0.00
12	A₂	898	852	0.00
13	A₂	385	365	0.00
14	B₁	987	937	0.02
15	B₁	954	905	0.00
16	B₁	756	717	17.94
17	B₁	713	677	39.41
18	B₁	418	396	3.38
19	B₂	3235	3071	30.52
20	B₂	3201	3039	28.00
21	B₂	1646	1562	6.92
22	B₂	1495	1419	26.84
23	B₂	1408	1336	0.02
24	B₂	1331	1263	0.10
25	B₂	1194	1133	1.72
26	B₂	1093	1038	0.30
27	B₂	671	637	0.39

Atom	y (Å)	z (Å)
N1	0.000	1.417
C2	0.000	-1.388
C3	1.143	0.726
C4	-1.143	0.726
C5	1.197	-0.673
C6	-1.197	-0.673
H7	0.000	-2.469
H8	2.056	1.307
H9	-2.056	1.307
H10	2.149	-1.187
H11	-2.149	-1.187

	N1	C2	C3	C4	C5	C6	H7	H8	H9	H10	H11
N1		2.8056	1.3357	1.3357	2.4088	2.4088	3.8864	2.0586	2.0586	3.3766	3.3766
C2	2.8056		2.4035	2.4035	1.3948	1.3948	1.0808	3.3898	3.3898	2.1586	2.1586
C3	1.3357	2.4035		2.2857	1.4000	2.7264	3.3934	1.0820	3.2508	2.1615	3.8075
C4	1.3357	2.4035	2.2857		2.7264	1.4000	3.3934	3.2508	1.0820	3.8075	2.1615
C5	2.4088	1.3948	1.4000	2.7264		2.3946	2.1587	2.1580	3.8081	1.0818	3.3857
C6	2.4088	1.3948	2.7264	1.4000	2.3946		2.1587	3.8081	2.1580	3.3857	1.0818
H7	3.8864	1.0808	3.3934	3.3934	2.1587	2.1587		4.2994	4.2994	2.5025	2.5025
H8	2.0586	3.3898	1.0820	3.2508	2.1580	3.8081	4.2994		4.1112	2.4958	4.8888
H9	2.0586	3.3898	3.2508	1.0820	3.8081	2.1580	4.2994	4.1112		4.8888	2.4958
H10	3.3766	2.1586	2.1615	3.8075	1.0818	3.3857	2.5025	2.4958	4.8888		4.2983
H11	3.3766	2.1586	3.8075	2.1615	3.3857	1.0818	2.5025	4.8888	2.4958	4.2983

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C3	C5	123.395	N1	C3	H8	116.353
N1	C4	C6	123.395	N1	C4	H9	116.353
C2	C5	C3	118.633	C2	C5	H10	120.765
C2	C6	C4	118.633	C2	C6	H11	120.765
C3	N1	C4	117.665	C3	C5	H10	120.602
C4	C6	H11	120.602	C5	C2	C6	118.279
C5	C2	H7	120.861	C5	C3	H8	120.252
C6	C2	H7	120.861	C6	C4	H9	120.252

All results from a given calculation for C₅H₅N (Pyridine)

using model chemistry: B2PLYP/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	-0.455
2	C	-0.124
3	C	0.048
4	C	0.048
5	C	-0.185
6	C	-0.185
7	H	0.175
8	H	0.169
9	H	0.169
10	H	0.170
11	H	0.170

<r²>	121.634
(<r²>)^1/2	11.029

All results from a given calculation for C5H5N (Pyridine)

using model chemistry: B2PLYP/6-31G*

States and conformations

All results from a given calculation for C₅H₅N (Pyridine)