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	hartrees
Energy at 0K	-246.774554
Energy at 298.15K	-246.781001
Nuclear repulsion energy	208.434577

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3353	3047	4.72
2	A₁	3325	3021	13.41
3	A₁	3312	3009	2.68
4	A₁	1775	1613	41.50
5	A₁	1643	1493	6.61
6	A₁	1335	1213	6.53
7	A₁	1171	1064	2.44
8	A₁	1117	1015	9.02
9	A₁	1084	985	3.44
10	A₁	657	597	5.14
11	A₂	1129	1026	0.00
12	A₂	981	892	0.00
13	A₂	434	394	0.00
14	B₁	1133	1029	0.23
15	B₁	1075	977	0.00
16	B₁	838	761	23.86
17	B₁	774	704	66.75
18	B₁	462	419	4.22
19	B₂	3346	3040	29.00
20	B₂	3311	3009	24.00
21	B₂	1765	1604	22.49
22	B₂	1591	1445	36.99
23	B₂	1499	1362	0.99
24	B₂	1298	1179	0.16
25	B₂	1163	1056	6.01
26	B₂	1142	1038	8.79
27	B₂	716	650	0.08

Atom	y (Å)	z (Å)
N1	0.000	1.396
C2	0.000	-1.368
C3	1.128	0.716
C4	-1.128	0.716
C5	1.187	-0.664
C6	-1.187	-0.664
H7	0.000	-2.442
H8	2.033	1.296
H9	-2.033	1.296
H10	2.135	-1.166
H11	-2.135	-1.166

	N1	C2	C3	C4	C5	C6	H7	H8	H9	H10	H11
N1		2.7638	1.3170	1.3170	2.3777	2.3777	3.8375	2.0358	2.0358	3.3346	3.3346
C2	2.7638		2.3702	2.3702	1.3801	1.3801	1.0737	3.3515	3.3515	2.1447	2.1447
C3	1.3170	2.3702		2.2565	1.3820	2.6958	3.3536	1.0748	3.2143	2.1344	3.7672
C4	1.3170	2.3702	2.2565		2.6958	1.3820	3.3536	3.2143	1.0748	3.7672	2.1344
C5	2.3777	1.3801	1.3820	2.6958		2.3744	2.1374	2.1353	3.7703	1.0723	3.3599
C6	2.3777	1.3801	2.6958	1.3820	2.3744		2.1374	3.7703	2.1353	3.3599	1.0723
H7	3.8375	1.0737	3.3536	3.3536	2.1374	2.1374		4.2551	4.2551	2.4874	2.4874
H8	2.0358	3.3515	1.0748	3.2143	2.1353	3.7703	4.2551		4.0666	2.4639	4.8411
H9	2.0358	3.3515	3.2143	1.0748	3.7703	2.1353	4.2551	4.0666		4.8411	2.4639
H10	3.3346	2.1447	2.1344	3.7672	1.0723	3.3599	2.4874	2.4639	4.8411		4.2702
H11	3.3346	2.1447	3.7672	2.1344	3.3599	1.0723	2.4874	4.8411	2.4639	4.2702

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C3	C5	123.498	N1	C3	H8	116.305
N1	C4	C6	123.498	N1	C4	H9	116.305
C2	C5	C3	118.213	C2	C5	H10	121.470
C2	C6	C4	118.213	C2	C6	H11	121.470
C3	N1	C4	117.894	C3	C5	H10	120.317
C4	C6	H11	120.317	C5	C2	C6	118.685
C5	C2	H7	120.658	C5	C3	H8	120.197
C6	C2	H7	120.658	C6	C4	H9	120.197

All results from a given calculation for C₅H₅N (Pyridine)

using model chemistry: HF/6-311+G(3df,2p)

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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Calc. vs exp. Bad Vib. HF vs MP2 Bad scale factors Low excited states Oddities NaCN Is not linear FAQ Help Units Choose Units Energy Bond length Rotational Constant Moment of Inertia Dipole and Quadrupole Polarizability Explanations Hartree cm-1 Debye Credits Just show me Show me a calculated geometry Summary Using older interface Limit Basis sets Method options List Recent molecules Choose a few Molecules Number of atoms By heavy atoms Diatomics InChI Deuterated Dimers Geometry Point group Point group count Bonds types Isodesmic reactions Bad point group Multiple conformers, states Vibrations Big anharmonicity Energy Enthalpy at 0 Kelvin Similar molecules Similar Isomers Cis/trans Tautomers Multiple conformers, states Ions, Dipoles, etc. List Ions Ionization changes point group Dipole Quadrupole Polarizability Proton Affinities Index of CCCBDB Feedback Error form Wants
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Number	Element	Mulliken
1	N	-1.249
2	C	0.162
3	C	0.129
4	C	0.129
5	C	0.110
6	C	0.110
7	H	0.125
8	H	0.123
9	H	0.123
10	H	0.119
11	H	0.119

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for C5H5N (Pyridine)

using model chemistry: HF/6-311+G(3df,2p)

States and conformations

All results from a given calculation for C₅H₅N (Pyridine)