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	hartrees
Energy at 0K	-248.153846
Energy at 298.15K	-248.160066
Nuclear repulsion energy	205.580003

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3266	3092	3.02
2	A₁	3242	3069	19.35
3	A₁	3230	3058	0.74
4	A₁	1657	1568	16.56
5	A₁	1539	1457	8.40
6	A₁	1274	1206	2.19
7	A₁	1120	1061	2.90
8	A₁	1070	1013	5.58
9	A₁	1019	965	5.74
10	A₁	630	597	3.86
11	A₂	1035	980	0.00
12	A₂	930	880	0.00
13	A₂	392	371	0.00
14	B₁	1057	1001	0.01
15	B₁	988	935	0.02
16	B₁	783	741	12.79
17	B₁	742	703	71.65
18	B₁	434	410	4.86
19	B₂	3256	3082	39.47
20	B₂	3232	3060	13.20
21	B₂	1653	1565	6.35
22	B₂	1505	1425	30.80
23	B₂	1422	1346	0.27
24	B₂	1335	1263	0.38
25	B₂	1219	1154	1.28
26	B₂	1106	1047	0.11
27	B₂	685	648	0.67

Atom	y (Å)	z (Å)
N1	0.000	1.417
C2	0.000	-1.383
C3	1.153	0.722
C4	-1.153	0.722
C5	1.201	-0.672
C6	-1.201	-0.672
H7	0.000	-2.466
H8	2.063	1.311
H9	-2.063	1.311
H10	2.155	-1.186
H11	-2.155	-1.186

	N1	C2	C3	C4	C5	C6	H7	H8	H9	H10	H11
N1		2.7997	1.3467	1.3467	2.4102	2.4102	3.8836	2.0654	2.0654	3.3792	3.3792
C2	2.7997		2.3997	2.3997	1.3955	1.3955	1.0839	3.3928	3.3928	2.1639	2.1639
C3	1.3467	2.3997		2.3067	1.3950	2.7364	3.3904	1.0836	3.2696	2.1545	3.8188
C4	1.3467	2.3997	2.3067		2.7364	1.3950	3.3904	3.2696	1.0836	3.8188	2.1545
C5	2.4102	1.3955	1.3950	2.7364		2.4025	2.1591	2.1625	3.8194	1.0831	3.3952
C6	2.4102	1.3955	2.7364	1.3950	2.4025		2.1591	3.8194	2.1625	3.3952	1.0831
H7	3.8836	1.0839	3.3904	3.3904	2.1591	2.1591		4.3041	4.3041	2.5068	2.5068
H8	2.0654	3.3928	1.0836	3.2696	2.1625	3.8194	4.3041		4.1254	2.4986	4.9013
H9	2.0654	3.3928	3.2696	1.0836	3.8194	2.1625	4.3041	4.1254		4.9013	2.4986
H10	3.3792	2.1639	2.1545	3.8188	1.0831	3.3952	2.5068	2.4986	4.9013		4.3098
H11	3.3792	2.1639	3.8188	2.1545	3.3952	1.0831	2.5068	4.9013	2.4986	4.3098

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C3	C5	123.053	N1	C3	H8	115.968
N1	C4	C6	123.053	N1	C4	H9	115.968
C2	C5	C3	118.625	C2	C5	H10	121.112
C2	C6	C4	118.625	C2	C6	H11	121.112
C3	N1	C4	117.830	C3	C5	H10	120.262
C4	C6	H11	120.262	C5	C2	C6	118.814
C5	C2	H7	120.593	C5	C3	H8	120.979
C6	C2	H7	120.593	C6	C4	H9	120.979

All results from a given calculation for C₅H₅N (Pyridine)

using model chemistry: mPW1PW91/6-31G

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	-0.402
2	C	-0.154
3	C	-0.016
4	C	-0.016
5	C	-0.163
6	C	-0.163
7	H	0.184
8	H	0.185
9	H	0.185
10	H	0.180
11	H	0.180

<r²>	121.903
(<r²>)^1/2	11.041

All results from a given calculation for C5H5N (Pyridine)

using model chemistry: mPW1PW91/6-31G

States and conformations

All results from a given calculation for C₅H₅N (Pyridine)