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	hartrees
Energy at 0K	-248.059488
Energy at 298.15K	-248.065471
HF Energy	-248.059488
Nuclear repulsion energy	205.566687

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3127	3089	8.21
2	A₁	3104	3066	3.13
3	A₁	3076	3039	6.17
4	A₁	1579	1560	20.58
5	A₁	1466	1449	2.39
6	A₁	1207	1192	2.97
7	A₁	1065	1052	3.98
8	A₁	1025	1013	4.96
9	A₁	982	970	6.64
10	A₁	594	587	4.22
11	A₂	968	956	0.00
12	A₂	868	858	0.00
13	A₂	358	354	0.00
14	B₁	982	971	0.01
15	B₁	925	914	0.02
16	B₁	743	734	3.60
17	B₁	695	686	64.18
18	B₁	400	395	3.30
19	B₂	3118	3080	25.77
20	B₂	3074	3036	30.58
21	B₂	1576	1557	8.35
22	B₂	1429	1412	23.82
23	B₂	1339	1323	0.00
24	B₂	1293	1278	0.35
25	B₂	1137	1124	1.75
26	B₂	1051	1038	0.01
27	B₂	647	639	0.25

Atom	y (Å)	z (Å)
N1	0.000	1.424
C2	0.000	-1.387
C3	1.144	0.722
C4	-1.144	0.722
C5	1.199	-0.674
C6	-1.199	-0.674
H7	0.000	-2.478
H8	2.065	1.311
H9	-2.065	1.311
H10	2.162	-1.186
H11	-2.162	-1.186

	N1	C2	C3	C4	C5	C6	H7	H8	H9	H10	H11
N1		2.8113	1.3421	1.3421	2.4161	2.4161	3.9022	2.0685	2.0685	3.3889	3.3889
C2	2.8113		2.3996	2.3996	1.3949	1.3949	1.0909	3.3982	3.3982	2.1710	2.1710
C3	1.3421	2.3996		2.2877	1.3970	2.7269	3.3986	1.0937	3.2629	2.1625	3.8166
C4	1.3421	2.3996	2.2877		2.7269	1.3970	3.3986	3.2629	1.0937	3.8166	2.1625
C5	2.4161	1.3949	1.3970	2.7269		2.3973	2.1663	2.1659	3.8202	1.0907	3.3991
C6	2.4161	1.3949	2.7269	1.3970	2.3973		2.1663	3.8202	2.1659	3.3991	1.0907
H7	3.9022	1.0909	3.3986	3.3986	2.1663	2.1663		4.3157	4.3157	2.5184	2.5184
H8	2.0685	3.3982	1.0937	3.2629	2.1659	3.8202	4.3157		4.1309	2.4989	4.9095
H9	2.0685	3.3982	3.2629	1.0937	3.8202	2.1659	4.3157	4.1309		4.9095	2.4989
H10	3.3889	2.1710	2.1625	3.8166	1.0907	3.3991	2.5184	2.4989	4.9095		4.3232
H11	3.3889	2.1710	3.8166	2.1625	3.3991	1.0907	2.5184	4.9095	2.4989	4.3232

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C3	C5	123.781	N1	C3	H8	115.881
N1	C4	C6	123.781	N1	C4	H9	115.881
C2	C5	C3	118.517	C2	C5	H10	121.230
C2	C6	C4	118.517	C2	C6	H11	121.230
C3	N1	C4	116.931	C3	C5	H10	120.253
C4	C6	H11	120.253	C5	C2	C6	118.472
C5	C2	H7	120.764	C5	C3	H8	120.338
C6	C2	H7	120.764	C6	C4	H9	120.338

All results from a given calculation for C₅H₅N (Pyridine)

using model chemistry: PBEPBE/Def2TZVPP

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	-0.178
2	C	-0.114
3	C	-0.045
4	C	-0.045
5	C	-0.076
6	C	-0.076
7	H	0.116
8	H	0.102
9	H	0.102
10	H	0.108
11	H	0.108

<r²>	122.283
(<r²>)^1/2	11.058

All results from a given calculation for C5H5N (Pyridine)

using model chemistry: PBEPBE/Def2TZVPP

States and conformations

All results from a given calculation for C₅H₅N (Pyridine)