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	hartrees
Energy at 0K	-248.191087
Energy at 298.15K	-248.197207
Nuclear repulsion energy	207.025032

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3221	3085	6.36
2	A₁	3196	3061	5.62
3	A₁	3168	3034	8.23
4	A₁	1648	1578	23.62
5	A₁	1519	1455	4.21
6	A₁	1249	1197	2.41
7	A₁	1099	1053	3.63
8	A₁	1054	1009	2.53
9	A₁	1010	968	9.13
10	A₁	598	573	4.77
11	A₂	1009	966	0.00
12	A₂	907	869	0.00
13	A₂	380	364	0.00
14	B₁	1022	978	0.01
15	B₁	969	928	0.02
16	B₁	774	742	5.09
17	B₁	725	694	43.81
18	B₁	415	397	3.20
19	B₂	3214	3078	23.33
20	B₂	3166	3032	30.63
21	B₂	1646	1577	10.21
22	B₂	1477	1414	26.48
23	B₂	1377	1318	0.00
24	B₂	1327	1271	0.00
25	B₂	1167	1117	1.66
26	B₂	1086	1040	0.15
27	B₂	658	630	0.31

Atom	y (Å)	z (Å)
N1	0.000	1.413
C2	0.000	-1.378
C3	1.134	0.718
C4	-1.134	0.718
C5	1.191	-0.669
C6	-1.191	-0.669
H7	0.000	-2.462
H8	2.051	1.302
H9	-2.051	1.302
H10	2.148	-1.177
H11	-2.148	-1.177

	N1	C2	C3	C4	C5	C6	H7	H8	H9	H10	H11
N1		2.7904	1.3297	1.3297	2.3985	2.3985	3.8746	2.0537	2.0537	3.3646	3.3646
C2	2.7904		2.3830	2.3830	1.3862	1.3862	1.0842	3.3745	3.3745	2.1577	2.1577
C3	1.3297	2.3830		2.2679	1.3885	2.7077	3.3763	1.0869	3.2377	2.1494	3.7900
C4	1.3297	2.3830	2.2679		2.7077	1.3885	3.3763	3.2377	1.0869	3.7900	2.1494
C5	2.3985	1.3862	1.3885	2.7077		2.3827	2.1526	2.1504	3.7943	1.0833	3.3781
C6	2.3985	1.3862	2.7077	1.3885	2.3827		2.1526	3.7943	2.1504	3.3781	1.0833
H7	3.8746	1.0842	3.3763	3.3763	2.1526	2.1526		4.2864	4.2864	2.5035	2.5035
H8	2.0537	3.3745	1.0869	3.2377	2.1504	3.7943	4.2864		4.1014	2.4808	4.8761
H9	2.0537	3.3745	3.2377	1.0869	3.7943	2.1504	4.2864	4.1014		4.8761	2.4808
H10	3.3646	2.1577	2.1494	3.7900	1.0833	3.3781	2.5035	2.4808	4.8761		4.2967
H11	3.3646	2.1577	3.7900	2.1494	3.3781	1.0833	2.5035	4.8761	2.4808	4.2967

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C3	C5	123.855	N1	C3	H8	116.020
N1	C4	C6	123.855	N1	C4	H9	116.020
C2	C5	C3	118.376	C2	C5	H10	121.311
C2	C6	C4	118.376	C2	C6	H11	121.311
C3	N1	C4	117.029	C3	C5	H10	120.313
C4	C6	H11	120.313	C5	C2	C6	118.508
C5	C2	H7	120.746	C5	C3	H8	120.125
C6	C2	H7	120.746	C6	C4	H9	120.125

All results from a given calculation for C₅H₅N (Pyridine)

using model chemistry: B1B95/6-31G(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	-0.283
2	C	-0.086
3	C	0.023
4	C	0.023
5	C	-0.134
6	C	-0.134
7	H	0.121
8	H	0.119
9	H	0.119
10	H	0.116
11	H	0.116

<r²>	120.197
(<r²>)^1/2	10.963

All results from a given calculation for C5H5N (Pyridine)

using model chemistry: B1B95/6-31G(2df,p)

States and conformations

All results from a given calculation for C₅H₅N (Pyridine)