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	hartrees
Energy at 0K	-245.112305
Energy at 298.15K	-245.118097
Nuclear repulsion energy	203.201303

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3502	3092	8.32
2	A₁	3479	3072	1.00
3	A₁	3452	3048	2.37
4	A₁	1728	1526	10.05
5	A₁	1590	1404	18.13
6	A₁	1286	1136	0.00
7	A₁	1142	1008	0.06
8	A₁	1092	965	1.38
9	A₁	1027	907	1.13
10	A₁	627	554	1.45
11	A₂	1041	919	0.00
12	A₂	939	829	0.00
13	A₂	390	344	0.00
14	B₁	1068	943	0.00
15	B₁	985	870	0.05
16	B₁	767	677	0.00
17	B₁	756	667	27.19
18	B₁	415	366	2.10
19	B₂	3492	3083	11.97
20	B₂	3452	3048	1.10
21	B₂	1721	1520	0.05
22	B₂	1531	1352	33.47
23	B₂	1428	1261	0.75
24	B₂	1269	1121	0.03
25	B₂	1227	1083	0.12
26	B₂	1134	1001	1.56
27	B₂	669	591	0.63

Atom	y (Å)	z (Å)
N1	0.000	1.476
C2	0.000	-1.403
C3	1.155	0.718
C4	-1.155	0.718
C5	1.202	-0.685
C6	-1.202	-0.685
H7	0.000	-2.500
H8	2.091	1.296
H9	-2.091	1.296
H10	2.168	-1.201
H11	-2.168	-1.201

	N1	C2	C3	C4	C5	C6	H7	H8	H9	H10	H11
N1		2.8790	1.3812	1.3812	2.4724	2.4724	3.9756	2.0992	2.0992	3.4452	3.4452
C2	2.8790		2.4148	2.4148	1.4004	1.4004	1.0966	3.4145	3.4145	2.1776	2.1776
C3	1.3812	2.4148		2.3091	1.4033	2.7424	3.4184	1.1009	3.2971	2.1705	3.8373
C4	1.3812	2.4148	2.3091		2.7424	1.4033	3.4184	3.2971	1.1009	3.8373	2.1705
C5	2.4724	1.4004	1.4033	2.7424		2.4042	2.1770	2.1710	3.8432	1.0957	3.4098
C6	2.4724	1.4004	2.7424	1.4033	2.4042		2.1770	3.8432	2.1710	3.4098	1.0957
H7	3.9756	1.0966	3.4184	3.4184	2.1770	2.1770		4.3337	4.3337	2.5273	2.5273
H8	2.0992	3.4145	1.1009	3.2971	2.1710	3.8432	4.3337		4.1830	2.4985	4.9378
H9	2.0992	3.4145	3.2971	1.1009	3.8432	2.1710	4.3337	4.1830		4.9378	2.4985
H10	3.4452	2.1776	2.1705	3.8373	1.0957	3.4098	2.5273	2.4985	4.9378		4.3366
H11	3.4452	2.1776	3.8373	2.1705	3.4098	1.0957	2.5273	4.9378	2.4985	4.3366

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C3	C5	125.227	N1	C3	H8	115.042
N1	C4	C6	125.227	N1	C4	H9	115.042
C2	C5	C3	118.925	C2	C5	H10	120.993
C2	C6	C4	118.925	C2	C6	H11	120.993
C3	N1	C4	113.428	C3	C5	H10	120.082
C4	C6	H11	120.082	C5	C2	C6	118.268
C5	C2	H7	120.866	C5	C3	H8	119.731
C6	C2	H7	120.866	C6	C4	H9	119.731

All results from a given calculation for C₅H₅N (Pyridine)

using model chemistry: B1B95/STO-3G

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	-0.216
2	C	-0.073
3	C	0.001
4	C	0.001
5	C	-0.087
6	C	-0.087
7	H	0.092
8	H	0.092
9	H	0.092
10	H	0.092
11	H	0.092

<r²>	122.881
(<r²>)^1/2	11.085

All results from a given calculation for C5H5N (Pyridine)

using model chemistry: B1B95/STO-3G

States and conformations

All results from a given calculation for C₅H₅N (Pyridine)