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	hartrees
Energy at 0K	-248.216177
Energy at 298.15K	-248.222366
Nuclear repulsion energy	204.948955

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3232	3109	4.40
2	A₁	3208	3086	22.10
3	A₁	3196	3075	1.46
4	A₁	1629	1568	16.37
5	A₁	1526	1468	6.56
6	A₁	1262	1215	2.02
7	A₁	1109	1067	1.52
8	A₁	1059	1019	6.56
9	A₁	1005	967	5.16
10	A₁	629	606	4.03
11	A₂	1019	980	0.00
12	A₂	919	884	0.00
13	A₂	392	377	0.00
14	B₁	1043	1004	0.02
15	B₁	976	938	0.00
16	B₁	774	745	10.66
17	B₁	737	709	58.33
18	B₁	433	416	4.70
19	B₂	3221	3098	47.51
20	B₂	3198	3076	14.52
21	B₂	1625	1564	5.41
22	B₂	1493	1436	28.31
23	B₂	1416	1363	0.40
24	B₂	1301	1252	0.60
25	B₂	1212	1166	1.30
26	B₂	1093	1052	0.39
27	B₂	682	656	0.55

Atom	y (Å)	z (Å)
N1	0.000	1.422
C2	0.000	-1.387
C3	1.158	0.724
C4	-1.158	0.724
C5	1.205	-0.675
C6	-1.205	-0.675
H7	0.000	-2.472
H8	2.069	1.313
H9	-2.069	1.313
H10	2.160	-1.189
H11	-2.160	-1.189

	N1	C2	C3	C4	C5	C6	H7	H8	H9	H10	H11
N1		2.8090	1.3520	1.3520	2.4182	2.4182	3.8945	2.0722	2.0722	3.3886	3.3886
C2	2.8090		2.4072	2.4072	1.3996	1.3996	1.0855	3.4016	3.4016	2.1691	2.1691
C3	1.3520	2.4072		2.3153	1.3991	2.7452	3.3993	1.0855	3.2803	2.1593	3.8294
C4	1.3520	2.4072	2.3153		2.7452	1.3991	3.3993	3.2803	1.0855	3.8294	2.1593
C5	2.4182	1.3996	1.3991	2.7452		2.4096	2.1642	2.1674	3.8301	1.0849	3.4039
C6	2.4182	1.3996	2.7452	1.3991	2.4096		2.1642	3.8301	2.1674	3.4039	1.0849
H7	3.8945	1.0855	3.3993	3.3993	2.1642	2.1642		4.3140	4.3140	2.5127	2.5127
H8	2.0722	3.4016	1.0855	3.2803	2.1674	3.8301	4.3140		4.1386	2.5033	4.9139
H9	2.0722	3.4016	3.2803	1.0855	3.8301	2.1674	4.3140	4.1386		4.9139	2.5033
H10	3.3886	2.1691	2.1593	3.8294	1.0849	3.4039	2.5127	2.5033	4.9139		4.3202
H11	3.3886	2.1691	3.8294	2.1593	3.4039	1.0849	2.5127	4.9139	2.5033	4.3202

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C3	C5	123.036	N1	C3	H8	116.022
N1	C4	C6	123.036	N1	C4	H9	116.022
C2	C5	C3	118.659	C2	C5	H10	121.118
C2	C6	C4	118.659	C2	C6	H11	121.118
C3	N1	C4	117.791	C3	C5	H10	120.222
C4	C6	H11	120.222	C5	C2	C6	118.817
C5	C2	H7	120.591	C5	C3	H8	120.942
C6	C2	H7	120.591	C6	C4	H9	120.942

All results from a given calculation for C₅H₅N (Pyridine)

using model chemistry: B3LYP/6-31G

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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Number	Element	Mulliken
1	N	-0.368
2	C	-0.118
3	C	-0.001
4	C	-0.001
5	C	-0.110
6	C	-0.110
7	H	0.142
8	H	0.146
9	H	0.146
10	H	0.138
11	H	0.138

<r²>	122.670
(<r²>)^1/2	11.076

All results from a given calculation for C5H5N (Pyridine)

using model chemistry: B3LYP/6-31G

States and conformations

All results from a given calculation for C₅H₅N (Pyridine)