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	hartrees
Energy at 0K	-248.013031
Energy at 298.15K	-248.019094
HF Energy	-248.013031
Nuclear repulsion energy	204.530316

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3120	3104	7.40
2	A₁	3094	3078	2.63
3	A₁	3065	3050	4.26
4	A₁	1583	1575	19.82
5	A₁	1456	1449	2.02
6	A₁	1201	1195	3.37
7	A₁	1058	1053	5.76
8	A₁	1017	1012	2.49
9	A₁	972	967	6.33
10	A₁	584	581	3.89
11	A₂	1044	1039	0.00
12	A₂	894	890	0.00
13	A₂	371	369	0.00
14	B₁	1093	1087	0.01
15	B₁	953	948	0.00
16	B₁	745	741	5.79
17	B₁	705	701	63.19
18	B₁	403	401	3.37
19	B₂	3111	3095	22.44
20	B₂	3060	3044	28.61
21	B₂	1585	1577	9.71
22	B₂	1420	1413	21.18
23	B₂	1330	1323	0.39
24	B₂	1319	1312	0.02
25	B₂	1125	1119	1.81
26	B₂	1047	1041	0.00
27	B₂	639	636	0.21

Atom	y (Å)	z (Å)
N1	0.000	1.417
C2	0.000	-1.394
C3	1.149	0.731
C4	-1.149	0.731
C5	1.202	-0.674
C6	-1.202	-0.674
H7	0.000	-2.480
H8	2.070	1.310
H9	-2.070	1.310
H10	2.159	-1.191
H11	-2.159	-1.191

	N1	C2	C3	C4	C5	C6	H7	H8	H9	H10	H11
N1		2.8104	1.3383	1.3383	2.4118	2.4118	3.8971	2.0728	2.0728	3.3853	3.3853
C2	2.8104		2.4159	2.4159	1.4013	1.4013	1.0867	3.4050	3.4050	2.1685	2.1685
C3	1.3383	2.4159		2.2990	1.4063	2.7397	3.4112	1.0873	3.2711	2.1710	3.8263
C4	1.3383	2.4159	2.2990		2.7397	1.4063	3.4112	3.2711	1.0873	3.8263	2.1710
C5	2.4118	1.4013	1.4063	2.7397		2.4047	2.1699	2.1653	3.8268	1.0873	3.4008
C6	2.4118	1.4013	2.7397	1.4063	2.4047		2.1699	3.8268	2.1653	3.4008	1.0873
H7	3.8971	1.0867	3.4112	3.4112	2.1699	2.1699		4.3186	4.3186	2.5148	2.5148
H8	2.0728	3.4050	1.0873	3.2711	2.1653	3.8268	4.3186		4.1402	2.5022	4.9130
H9	2.0728	3.4050	3.2711	1.0873	3.8268	2.1653	4.3186	4.1402		4.9130	2.5022
H10	3.3853	2.1685	2.1710	3.8263	1.0873	3.4008	2.5148	2.5022	4.9130		4.3180
H11	3.3853	2.1685	3.8263	2.1710	3.4008	1.0873	2.5148	4.9130	2.5022	4.3180

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C3	C5	122.962	N1	C3	H8	117.045
N1	C4	C6	122.962	N1	C4	H9	117.045
C2	C5	C3	118.748	C2	C5	H10	120.722
C2	C6	C4	118.748	C2	C6	H11	120.722
C3	N1	C4	118.383	C3	C5	H10	120.530
C4	C6	H11	120.530	C5	C2	C6	118.196
C5	C2	H7	120.902	C5	C3	H8	119.993
C6	C2	H7	120.902	C6	C4	H9	119.993

All results from a given calculation for C₅H₅N (Pyridine)

using model chemistry: PBEPBE/Sadlej_pVTZ

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	-0.314
2	C	1.218
3	C	0.083
4	C	0.083
5	C	2.159
6	C	2.159
7	H	-1.248
8	H	-0.772
9	H	-0.772
10	H	-1.298
11	H	-1.298

<r²>	123.512
(<r²>)^1/2	11.114

All results from a given calculation for C5H5N (Pyridine)

using model chemistry: PBEPBE/Sadlej_pVTZ

States and conformations

All results from a given calculation for C₅H₅N (Pyridine)