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	hartrees
Energy at 0K	-246.798328
Energy at 298.15K	-246.804609
HF Energy	-246.798328
Nuclear repulsion energy	205.547459

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3256	3084	6.09
2	A₁	3218	3048	4.11
3	A₁	3196	3027	0.39
4	A₁	1636	1549	17.04
5	A₁	1538	1457	12.19
6	A₁	1274	1206	1.34
7	A₁	1124	1065	0.23
8	A₁	1075	1018	8.37
9	A₁	1016	963	5.14
10	A₁	638	604	4.50
11	A₂	1084	1027	0.00
12	A₂	950	900	0.00
13	A₂	408	386	0.00
14	B₁	1099	1041	0.02
15	B₁	1028	973	0.14
16	B₁	802	760	4.79
17	B₁	762	722	89.28
18	B₁	441	418	4.54
19	B₂	3248	3077	21.78
20	B₂	3209	3040	1.00
21	B₂	1636	1550	4.72
22	B₂	1501	1421	33.83
23	B₂	1430	1354	0.29
24	B₂	1248	1182	1.08
25	B₂	1207	1144	0.53
26	B₂	1100	1042	0.28
27	B₂	696	659	0.73

Atom	y (Å)	z (Å)
N1	0.000	1.418
C2	0.000	-1.382
C3	1.154	0.722
C4	-1.154	0.722
C5	1.201	-0.672
C6	-1.201	-0.672
H7	0.000	-2.464
H8	2.068	1.304
H9	-2.068	1.304
H10	2.154	-1.186
H11	-2.154	-1.186

	N1	C2	C3	C4	C5	C6	H7	H8	H9	H10	H11
N1		2.8001	1.3483	1.3483	2.4113	2.4113	3.8828	2.0708	2.0708	3.3796	3.3796
C2	2.8001		2.3992	2.3992	1.3953	1.3953	1.0828	3.3892	3.3892	2.1626	2.1626
C3	1.3483	2.3992		2.3087	1.3947	2.7373	3.3887	1.0831	3.2742	2.1535	3.8186
C4	1.3483	2.3992	2.3087		2.7373	1.3947	3.3887	3.2742	1.0831	3.8186	2.1535
C5	2.4113	1.3953	1.3947	2.7373		2.4029	2.1576	2.1576	3.8200	1.0820	3.3943
C6	2.4113	1.3953	2.7373	1.3947	2.4029		2.1576	3.8200	2.1576	3.3943	1.0820
H7	3.8828	1.0828	3.3887	3.3887	2.1576	2.1576		4.2982	4.2982	2.5045	2.5045
H8	2.0708	3.3892	1.0831	3.2742	2.1576	3.8200	4.2982		4.1353	2.4913	4.9009
H9	2.0708	3.3892	3.2742	1.0831	3.8200	2.1576	4.2982	4.1353		4.9009	2.4913
H10	3.3796	2.1626	2.1535	3.8186	1.0820	3.3943	2.5045	2.4913	4.9009		4.3074
H11	3.3796	2.1626	3.8186	2.1535	3.3943	1.0820	2.5045	4.9009	2.4913	4.3074

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C3	C5	123.054	N1	C3	H8	116.368
N1	C4	C6	123.054	N1	C4	H9	116.368
C2	C5	C3	118.621	C2	C5	H10	121.094
C2	C6	C4	118.621	C2	C6	H11	121.094
C3	N1	C4	117.767	C3	C5	H10	120.285
C4	C6	H11	120.285	C5	C2	C6	118.883
C5	C2	H7	120.558	C5	C3	H8	120.578
C6	C2	H7	120.558	C6	C4	H9	120.578

All results from a given calculation for C₅H₅N (Pyridine)

using model chemistry: M06-2X/3-21G*

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	-0.537
2	C	-0.173
3	C	0.056
4	C	0.056
5	C	-0.265
6	C	-0.265
7	H	0.226
8	H	0.232
9	H	0.232
10	H	0.219
11	H	0.219

<r²>	122.123
(<r²>)^1/2	11.051

All results from a given calculation for C5H5N (Pyridine)

using model chemistry: M06-2X/3-21G*

States and conformations

All results from a given calculation for C₅H₅N (Pyridine)