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	hartrees
Energy at 0K	-248.269472
Energy at 298.15K	-248.275617
Nuclear repulsion energy	206.853881

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3227	3080	9.05
2	A₁	3201	3055	8.38
3	A₁	3180	3035	8.99
4	A₁	1661	1585	26.07
5	A₁	1533	1463	3.91
6	A₁	1257	1199	3.70
7	A₁	1106	1056	5.93
8	A₁	1058	1010	4.23
9	A₁	1023	976	8.04
10	A₁	615	587	4.14
11	A₂	1008	962	0.00
12	A₂	902	861	0.00
13	A₂	385	367	0.00
14	B₁	1017	971	0.00
15	B₁	964	920	0.02
16	B₁	770	735	8.35
17	B₁	721	688	73.62
18	B₁	421	402	3.33
19	B₂	3218	3071	35.07
20	B₂	3177	3032	34.38
21	B₂	1656	1580	10.31
22	B₂	1490	1422	29.41
23	B₂	1394	1331	0.05
24	B₂	1322	1262	0.03
25	B₂	1179	1125	2.28
26	B₂	1090	1041	0.00
27	B₂	672	642	0.38

Atom	y (Å)	z (Å)
N1	0.000	1.413
C2	0.000	-1.379
C3	1.135	0.719
C4	-1.135	0.719
C5	1.193	-0.670
C6	-1.193	-0.670
H7	0.000	-2.464
H8	2.050	1.306
H9	-2.050	1.306
H10	2.150	-1.178
H11	-2.150	-1.178

	N1	C2	C3	C4	C5	C6	H7	H8	H9	H10	H11
N1		2.7917	1.3306	1.3306	2.3997	2.3997	3.8762	2.0527	2.0527	3.3666	3.3666
C2	2.7917		2.3855	2.3855	1.3877	1.3877	1.0846	3.3782	3.3782	2.1594	2.1594
C3	1.3306	2.3855		2.2709	1.3898	2.7109	3.3790	1.0868	3.2390	2.1512	3.7938
C4	1.3306	2.3855	2.2709		2.7109	1.3898	3.3790	3.2390	1.0868	3.7938	2.1512
C5	2.3997	1.3877	1.3898	2.7109		2.3855	2.1542	2.1538	3.7972	1.0838	3.3812
C6	2.3997	1.3877	2.7109	1.3898	2.3855		2.1542	3.7972	2.1538	3.3812	1.0838
H7	3.8762	1.0846	3.3790	3.3790	2.1542	2.1542		4.2910	4.2910	2.5051	2.5051
H8	2.0527	3.3782	1.0868	3.2390	2.1538	3.7972	4.2910		4.0998	2.4862	4.8796
H9	2.0527	3.3782	3.2390	1.0868	3.7972	2.1538	4.2910	4.0998		4.8796	2.4862
H10	3.3666	2.1594	2.1512	3.7938	1.0838	3.3812	2.5051	2.4862	4.8796		4.3001
H11	3.3666	2.1594	3.7938	2.1512	3.3812	1.0838	2.5051	4.8796	2.4862	4.3001

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C3	C5	123.787	N1	C3	H8	115.868
N1	C4	C6	123.787	N1	C4	H9	115.868
C2	C5	C3	118.376	C2	C5	H10	121.293
C2	C6	C4	118.376	C2	C6	H11	121.293
C3	N1	C4	117.152	C3	C5	H10	120.331
C4	C6	H11	120.331	C5	C2	C6	118.521
C5	C2	H7	120.739	C5	C3	H8	120.345
C6	C2	H7	120.739	C6	C4	H9	120.345

All results from a given calculation for C₅H₅N (Pyridine)

using model chemistry: mPW1PW91/6-311G*

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	-0.318
2	C	-0.096
3	C	-0.020
4	C	-0.020
5	C	-0.303
6	C	-0.303
7	H	0.214
8	H	0.215
9	H	0.215
10	H	0.208
11	H	0.208

<r²>	120.709
(<r²>)^1/2	10.987

All results from a given calculation for C5H5N (Pyridine)

using model chemistry: mPW1PW91/6-311G*

States and conformations

All results from a given calculation for C₅H₅N (Pyridine)