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	hartrees
Energy at 0K	-248.171804
Energy at 298.15K	-248.177940
HF Energy	-248.171804
Nuclear repulsion energy	206.404842

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3235	3064	1.60
2	A₁	3216	3045	14.29
3	A₁	3206	3036	1.29
4	A₁	1688	1599	24.34
5	A₁	1546	1464	4.65
6	A₁	1263	1196	2.98
7	A₁	1112	1053	4.44
8	A₁	1068	1011	1.19
9	A₁	1021	967	9.08
10	A₁	612	579	4.14
11	A₂	1023	969	0.00
12	A₂	906	858	0.00
13	A₂	390	370	0.00
14	B₁	1028	974	0.01
15	B₁	980	928	0.00
16	B₁	768	727	6.56
17	B₁	723	685	54.16
18	B₁	421	399	3.58
19	B₂	3229	3057	24.53
20	B₂	3207	3037	19.71
21	B₂	1685	1595	11.88
22	B₂	1503	1423	29.19
23	B₂	1397	1323	0.01
24	B₂	1312	1242	0.00
25	B₂	1176	1114	1.91
26	B₂	1102	1044	0.23
27	B₂	671	635	0.43

Atom	y (Å)	z (Å)
N1	0.000	1.412
C2	0.000	-1.385
C3	1.139	0.725
C4	-1.139	0.725
C5	1.194	-0.671
C6	-1.194	-0.671
H7	0.000	-2.466
H8	2.052	1.307
H9	-2.052	1.307
H10	2.147	-1.185
H11	-2.147	-1.185

	N1	C2	C3	C4	C5	C6	H7	H8	H9	H10	H11
N1		2.7971	1.3303	1.3303	2.4014	2.4014	3.8787	2.0547	2.0547	3.3695	3.3695
C2	2.7971		2.3976	2.3976	1.3913	1.3913	1.0816	3.3847	3.3847	2.1562	2.1562
C3	1.3303	2.3976		2.2779	1.3971	2.7189	3.3885	1.0827	3.2436	2.1593	3.8005
C4	1.3303	2.3976	2.2779		2.7189	1.3971	3.3885	3.2436	1.0827	3.8005	2.1593
C5	2.4014	1.3913	1.3971	2.7189		2.3884	2.1562	2.1560	3.8014	1.0823	3.3804
C6	2.4014	1.3913	2.7189	1.3971	2.3884		2.1562	3.8014	2.1560	3.3804	1.0823
H7	3.8787	1.0816	3.3885	3.3885	2.1562	2.1562		4.2952	4.2952	2.5004	2.5004
H8	2.0547	3.3847	1.0827	3.2436	2.1560	3.8014	4.2952		4.1039	2.4935	4.8825
H9	2.0547	3.3847	3.2436	1.0827	3.8014	2.1560	4.2952	4.1039		4.8825	2.4935
H10	3.3695	2.1562	2.1593	3.8005	1.0823	3.3804	2.5004	2.4935	4.8825		4.2938
H11	3.3695	2.1562	3.8005	2.1593	3.3804	1.0823	2.5004	4.8825	2.4935	4.2938

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C3	C5	123.376	N1	C3	H8	116.372
N1	C4	C6	123.376	N1	C4	H9	116.372
C2	C5	C3	118.600	C2	C5	H10	120.803
C2	C6	C4	118.600	C2	C6	H11	120.803
C3	N1	C4	117.780	C3	C5	H10	120.598
C4	C6	H11	120.598	C5	C2	C6	118.268
C5	C2	H7	120.866	C5	C3	H8	120.252
C6	C2	H7	120.866	C6	C4	H9	120.252

All results from a given calculation for C₅H₅N (Pyridine)

using model chemistry: M06-2X/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	-0.428
2	C	-0.138
3	C	0.022
4	C	0.022
5	C	-0.173
6	C	-0.173
7	H	0.178
8	H	0.172
9	H	0.172
10	H	0.173
11	H	0.173

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for C5H5N (Pyridine)

using model chemistry: M06-2X/6-31G*

States and conformations

All results from a given calculation for C₅H₅N (Pyridine)