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	hartrees
Energy at 0K	-246.929355
Energy at 298.15K	-246.935347
Nuclear repulsion energy	206.977316

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3123	3093	5.53
2	A₁	3100	3071	2.71
3	A₁	3070	3040	5.24
4	A₁	1617	1602	23.52
5	A₁	1479	1464	4.17
6	A₁	1214	1202	3.59
7	A₁	1074	1064	7.26
8	A₁	1042	1032	2.76
9	A₁	996	987	10.50
10	A₁	597	592	4.20
11	A₂	959	950	0.00
12	A₂	863	854	0.00
13	A₂	357	354	0.00
14	B₁	972	963	0.01
15	B₁	918	909	0.04
16	B₁	751	744	2.00
17	B₁	689	683	82.79
18	B₁	404	400	3.09
19	B₂	3115	3085	19.41
20	B₂	3066	3037	32.00
21	B₂	1621	1606	10.51
22	B₂	1445	1431	27.99
23	B₂	1362	1349	0.73
24	B₂	1333	1320	0.02
25	B₂	1136	1125	1.69
26	B₂	1061	1050	0.11
27	B₂	655	649	0.44

Atom	y (Å)	z (Å)
N1	0.000	1.408
C2	0.000	-1.375
C3	1.134	0.718
C4	-1.134	0.718
C5	1.190	-0.668
C6	-1.190	-0.668
H7	0.000	-2.470
H8	2.059	1.310
H9	-2.059	1.310
H10	2.157	-1.182
H11	-2.157	-1.182

	N1	C2	C3	C4	C5	C6	H7	H8	H9	H10	H11
N1		2.7834	1.3280	1.3280	2.3931	2.3931	3.8784	2.0616	2.0616	3.3702	3.3702
C2	2.7834		2.3806	2.3806	1.3844	1.3844	1.0950	3.3840	3.3840	2.1652	2.1652
C3	1.3280	2.3806		2.2688	1.3869	2.7063	3.3838	1.0983	3.2481	2.1570	3.7998
C4	1.3280	2.3806	2.2688		2.7063	1.3869	3.3838	3.2481	1.0983	3.7998	2.1570
C5	2.3931	1.3844	1.3869	2.7063		2.3803	2.1597	2.1606	3.8041	1.0944	3.3859
C6	2.3931	1.3844	2.7063	1.3869	2.3803		2.1597	3.8041	2.1606	3.3859	1.0944
H7	3.8784	1.0950	3.3838	3.3838	2.1597	2.1597		4.3048	4.3048	2.5121	2.5121
H8	2.0616	3.3840	1.0983	3.2481	2.1606	3.8041	4.3048		4.1185	2.4938	4.8971
H9	2.0616	3.3840	3.2481	1.0983	3.8041	2.1606	4.3048	4.1185		4.8971	2.4938
H10	3.3702	2.1652	2.1570	3.7998	1.0944	3.3859	2.5121	2.4938	4.8971		4.3130
H11	3.3702	2.1652	3.7998	2.1570	3.3859	1.0944	2.5121	4.8971	2.4938	4.3130

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C3	C5	123.630	N1	C3	H8	116.034
N1	C4	C6	123.630	N1	C4	H9	116.034
C2	C5	C3	118.416	C2	C5	H10	121.283
C2	C6	C4	118.416	C2	C6	H11	121.283
C3	N1	C4	117.347	C3	C5	H10	120.301
C4	C6	H11	120.301	C5	C2	C6	118.560
C5	C2	H7	120.720	C5	C3	H8	120.336
C6	C2	H7	120.720	C6	C4	H9	120.336

All results from a given calculation for C₅H₅N (Pyridine)

using model chemistry: SVWN/6-311G*

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	-0.259
2	C	-0.124
3	C	-0.076
4	C	-0.076
5	C	-0.298
6	C	-0.298
7	H	0.227
8	H	0.229
9	H	0.229
10	H	0.222
11	H	0.222

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for C5H5N (Pyridine)

using model chemistry: SVWN/6-311G*

States and conformations

All results from a given calculation for C₅H₅N (Pyridine)