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	hartrees
Energy at 0K	-248.300616
Energy at 298.15K	-248.306755
Nuclear repulsion energy	206.320501

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3203	3091	7.57
2	A₁	3178	3067	5.77
3	A₁	3153	3043	8.57
4	A₁	1625	1568	24.04
5	A₁	1516	1463	3.68
6	A₁	1247	1203	2.45
7	A₁	1096	1058	2.33
8	A₁	1049	1012	6.02
9	A₁	1010	974	7.25
10	A₁	611	590	4.83
11	A₂	1003	968	0.00
12	A₂	906	874	0.00
13	A₂	387	373	0.00
14	B₁	1017	981	0.00
15	B₁	967	933	0.03
16	B₁	774	747	5.41
17	B₁	727	701	41.04
18	B₁	421	407	3.32
19	B₂	3194	3082	26.96
20	B₂	3150	3040	29.95
21	B₂	1621	1564	8.69
22	B₂	1473	1421	26.61
23	B₂	1384	1336	0.04
24	B₂	1295	1250	0.01
25	B₂	1172	1131	1.82
26	B₂	1079	1041	0.28
27	B₂	666	643	0.25

Atom	y (Å)	z (Å)
N1	0.000	1.417
C2	0.000	-1.382
C3	1.140	0.720
C4	-1.140	0.720
C5	1.196	-0.671
C6	-1.196	-0.671
H7	0.000	-2.468
H8	2.057	1.305
H9	-2.057	1.305
H10	2.154	-1.179
H11	-2.154	-1.179

	N1	C2	C3	C4	C5	C6	H7	H8	H9	H10	H11
N1		2.7999	1.3358	1.3358	2.4067	2.4067	3.8850	2.0599	2.0599	3.3737	3.3737
C2	2.7999		2.3917	2.3917	1.3911	1.3911	1.0852	3.3842	3.3842	2.1631	2.1631
C3	1.3358	2.3917		2.2790	1.3928	2.7184	3.3855	1.0878	3.2494	2.1535	3.8018
C4	1.3358	2.3917	2.2790		2.7184	1.3928	3.3855	3.2494	1.0878	3.8018	2.1535
C5	2.4067	1.3911	1.3928	2.7184		2.3912	2.1578	2.1558	3.8058	1.0844	3.3875
C6	2.4067	1.3911	2.7184	1.3928	2.3912		2.1578	3.8058	2.1558	3.3875	1.0844
H7	3.8850	1.0852	3.3855	3.3855	2.1578	2.1578		4.2968	4.2968	2.5094	2.5094
H8	2.0599	3.3842	1.0878	3.2494	2.1558	3.8058	4.2968		4.1138	2.4863	4.8888
H9	2.0599	3.3842	3.2494	1.0878	3.8058	2.1558	4.2968	4.1138		4.8888	2.4863
H10	3.3737	2.1631	2.1535	3.8018	1.0844	3.3875	2.5094	2.4863	4.8888		4.3072
H11	3.3737	2.1631	3.8018	2.1535	3.3875	1.0844	2.5094	4.8888	2.4863	4.3072

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C3	C5	123.761	N1	C3	H8	116.039
N1	C4	C6	123.761	N1	C4	H9	116.039
C2	C5	C3	118.437	C2	C5	H10	121.313
C2	C6	C4	118.437	C2	C6	H11	121.313
C3	N1	C4	117.092	C3	C5	H10	120.250
C4	C6	H11	120.250	C5	C2	C6	118.512
C5	C2	H7	120.744	C5	C3	H8	120.200
C6	C2	H7	120.744	C6	C4	H9	120.200

All results from a given calculation for C₅H₅N (Pyridine)

using model chemistry: B3LYP/6-31G(2df,p)

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	-0.252
2	C	-0.078
3	C	0.013
4	C	0.013
5	C	-0.112
6	C	-0.112
7	H	0.108
8	H	0.108
9	H	0.108
10	H	0.102
11	H	0.102

<r²>	121.050
(<r²>)^1/2	11.002

All results from a given calculation for C5H5N (Pyridine)

using model chemistry: B3LYP/6-31G(2df,p)

States and conformations

All results from a given calculation for C₅H₅N (Pyridine)