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	hartrees
Energy at 0K	-248.252299
Energy at 298.15K	-248.258474
HF Energy	-248.252299
Nuclear repulsion energy	206.782224

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3230	3089	6.10
2	A₁	3203	3064	6.02
3	A₁	3174	3036	7.19
4	A₁	1664	1591	26.45
5	A₁	1528	1461	4.35
6	A₁	1254	1199	3.89
7	A₁	1108	1060	5.97
8	A₁	1058	1012	4.78
9	A₁	1024	979	7.32
10	A₁	621	594	4.33
11	A₂	1024	979	0.00
12	A₂	906	866	0.00
13	A₂	388	371	0.00
14	B₁	1027	982	0.01
15	B₁	973	931	0.10
16	B₁	771	737	5.75
17	B₁	721	689	73.39
18	B₁	421	403	3.38
19	B₂	3222	3082	22.41
20	B₂	3171	3033	30.10
21	B₂	1656	1584	11.69
22	B₂	1487	1422	29.01
23	B₂	1386	1325	0.13
24	B₂	1292	1236	0.00
25	B₂	1175	1123	2.98
26	B₂	1090	1043	0.01
27	B₂	674	645	0.38

Atom	y (Å)	z (Å)
N1	0.000	1.416
C2	0.000	-1.379
C3	1.135	0.718
C4	-1.135	0.718
C5	1.191	-0.670
C6	-1.191	-0.670
H7	0.000	-2.463
H8	2.049	1.304
H9	-2.049	1.304
H10	2.149	-1.177
H11	-2.149	-1.177

	N1	C2	C3	C4	C5	C6	H7	H8	H9	H10	H11
N1		2.7949	1.3326	1.3326	2.4016	2.4016	3.8789	2.0524	2.0524	3.3671	3.3671
C2	2.7949		2.3848	2.3848	1.3868	1.3868	1.0840	3.3766	3.3766	2.1582	2.1582
C3	1.3326	2.3848		2.2707	1.3887	2.7091	3.3777	1.0860	3.2383	2.1486	3.7914
C4	1.3326	2.3848	2.2707		2.7091	1.3887	3.3777	3.2383	1.0860	3.7914	2.1486
C5	2.4016	1.3868	1.3887	2.7091		2.3830	2.1533	2.1523	3.7947	1.0832	3.3784
C6	2.4016	1.3868	2.7091	1.3887	2.3830		2.1533	3.7947	2.1523	3.3784	1.0832
H7	3.8789	1.0840	3.3777	3.3777	2.1533	2.1533		4.2889	4.2889	2.5044	2.5044
H8	2.0524	3.3766	1.0860	3.2383	2.1523	3.7947	4.2889		4.0988	2.4830	4.8764
H9	2.0524	3.3766	3.2383	1.0860	3.7947	2.1523	4.2889	4.0988		4.8764	2.4830
H10	3.3671	2.1582	2.1486	3.7914	1.0832	3.3784	2.5044	2.4830	4.8764		4.2974
H11	3.3671	2.1582	3.7914	2.1486	3.3784	1.0832	2.5044	4.8764	2.4830	4.2974

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C3	C5	123.888	N1	C3	H8	115.748
N1	C4	C6	123.888	N1	C4	H9	115.748
C2	C5	C3	118.463	C2	C5	H10	121.306
C2	C6	C4	118.463	C2	C6	H11	121.306
C3	N1	C4	116.856	C3	C5	H10	120.231
C4	C6	H11	120.231	C5	C2	C6	118.441
C5	C2	H7	120.779	C5	C3	H8	120.364
C6	C2	H7	120.779	C6	C4	H9	120.364

All results from a given calculation for C₅H₅N (Pyridine)

using model chemistry: wB97X-D/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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Number	Element	Mulliken
1	N	-0.304
2	C	-0.015
3	C	0.061
4	C	0.061
5	C	-0.205
6	C	-0.205
7	H	0.121
8	H	0.126
9	H	0.126
10	H	0.117
11	H	0.117

<r²>	120.796
(<r²>)^1/2	10.991

All results from a given calculation for C5H5N (Pyridine)

using model chemistry: wB97X-D/6-311G**

States and conformations

All results from a given calculation for C₅H₅N (Pyridine)