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	hartrees
Energy at 0K	-246.913290
Energy at 298.15K	-246.919522
Nuclear repulsion energy	205.322793

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3225	3112	2.89
2	A₁	3198	3086	7.91
3	A₁	3183	3071	11.21
4	A₁	1602	1545	17.88
5	A₁	1523	1470	7.91
6	A₁	1263	1219	1.32
7	A₁	1117	1077	0.00
8	A₁	1063	1025	9.18
9	A₁	997	962	3.59
10	A₁	639	616	4.31
11	A₂	1044	1007	0.00
12	A₂	927	895	0.00
13	A₂	396	382	0.00
14	B₁	1064	1027	0.00
15	B₁	989	954	0.08
16	B₁	793	765	3.71
17	B₁	743	717	76.71
18	B₁	436	420	3.61
19	B₂	3216	3103	24.16
20	B₂	3179	3067	22.29
21	B₂	1599	1542	2.98
22	B₂	1488	1436	29.12
23	B₂	1424	1374	1.31
24	B₂	1245	1201	1.77
25	B₂	1216	1174	0.61
26	B₂	1081	1043	0.44
27	B₂	693	668	0.55

Atom	y (Å)	z (Å)
N1	0.000	1.422
C2	0.000	-1.384
C3	1.154	0.722
C4	-1.154	0.722
C5	1.202	-0.673
C6	-1.202	-0.673
H7	0.000	-2.468
H8	2.072	1.301
H9	-2.072	1.301
H10	2.156	-1.187
H11	-2.156	-1.187

	N1	C2	C3	C4	C5	C6	H7	H8	H9	H10	H11
N1		2.8060	1.3502	1.3502	2.4159	2.4159	3.8900	2.0753	2.0753	3.3848	3.3848
C2	2.8060		2.4012	2.4012	1.3965	1.3965	1.0841	3.3913	3.3913	2.1647	2.1647
C3	1.3502	2.4012		2.3086	1.3959	2.7386	3.3920	1.0851	3.2777	2.1558	3.8212
C4	1.3502	2.4012	2.3086		2.7386	1.3959	3.3920	3.2777	1.0851	3.8212	2.1558
C5	2.4159	1.3965	1.3959	2.7386		2.4046	2.1601	2.1574	3.8234	1.0832	3.3972
C6	2.4159	1.3965	2.7386	1.3959	2.4046		2.1601	3.8234	2.1574	3.3972	1.0832
H7	3.8900	1.0841	3.3920	3.3920	2.1601	2.1601		4.3009	4.3009	2.5074	2.5074
H8	2.0753	3.3913	1.0851	3.2777	2.1574	3.8234	4.3009		4.1435	2.4899	4.9056
H9	2.0753	3.3913	3.2777	1.0851	3.8234	2.1574	4.3009	4.1435		4.9056	2.4899
H10	3.3848	2.1647	2.1558	3.8212	1.0832	3.3972	2.5074	2.4899	4.9056		4.3115
H11	3.3848	2.1647	3.8212	2.1558	3.3972	1.0832	2.5074	4.9056	2.4899	4.3115

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C3	C5	123.221	N1	C3	H8	116.473
N1	C4	C6	123.221	N1	C4	H9	116.473
C2	C5	C3	118.609	C2	C5	H10	121.090
C2	C6	C4	118.609	C2	C6	H11	121.090
C3	N1	C4	117.499	C3	C5	H10	120.301
C4	C6	H11	120.301	C5	C2	C6	118.842
C5	C2	H7	120.579	C5	C3	H8	120.305
C6	C2	H7	120.579	C6	C4	H9	120.305

All results from a given calculation for C₅H₅N (Pyridine)

using model chemistry: B3LYP/3-21G

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	ESP
1	N	-0.527	-0.635
2	C	-0.148	0.223
3	C	0.068	0.467
4	C	0.068	0.467
5	C	-0.235	-0.520
6	C	-0.235	-0.520
7	H	0.202	0.087
8	H	0.211	0.019
9	H	0.211	0.019
10	H	0.194	0.196
11	H	0.194	0.196

<r²>	122.251
(<r²>)^1/2	11.057

All results from a given calculation for C5H5N (Pyridine)

using model chemistry: B3LYP/3-21G

States and conformations

All results from a given calculation for C₅H₅N (Pyridine)