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	hartrees
Energy at 0K	-250.352039
Energy at 298.15K	-250.363192
Nuclear repulsion energy	238.626672

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3414	3379	0.60
2	A	3099	3067	37.02
3	A	3074	3043	8.84
4	A	3015	2984	33.98
5	A	2981	2951	23.39
6	A	2976	2945	52.17
7	A	2959	2929	20.03
8	A	2931	2900	33.90
9	A	2912	2882	43.08
10	A	1674	1656	2.22
11	A	1446	1431	5.00
12	A	1433	1418	1.90
13	A	1418	1404	7.22
14	A	1414	1400	0.66
15	A	1369	1355	0.70
16	A	1340	1326	4.96
17	A	1320	1306	4.40
18	A	1299	1286	0.98
19	A	1283	1270	0.29
20	A	1216	1204	4.35
21	A	1173	1161	10.73
22	A	1154	1142	4.12
23	A	1093	1082	16.20
24	A	1070	1059	3.39
25	A	1022	1012	3.79
26	A	981	971	5.49
27	A	960	950	0.14
28	A	948	938	2.05
29	A	898	888	4.45
30	A	875	866	7.25
31	A	840	831	12.55
32	A	782	774	84.49
33	A	735	728	20.58
34	A	629	622	18.70
35	A	508	503	1.07
36	A	468	464	0.39
37	A	386	382	0.83
38	A	280	277	6.66
39	A	155	154	1.86

All results from a given calculation for C₅H₉N (1,2,3,6-Tetrahydropyridine)

using model chemistry: PBEPBE/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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HF vs MP2 Bad vib. Calc. vs exp. 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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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All results from a given calculation for C5H9N (1,2,3,6-Tetrahydropyridine)

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

States and conformations

All results from a given calculation for C₅H₉N (1,2,3,6-Tetrahydropyridine)