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	hartrees
Energy at 0K	-248.195566
Energy at 298.15K	-248.201709
HF Energy	-248.195566
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3255	3088	6.89
2	A₁	3230	3063	7.47
3	A₁	3203	3038	11.10
4	A₁	1680	1593	24.92
5	A₁	1547	1468	4.24
6	A₁	1267	1202	3.15
7	A₁	1116	1059	4.79
8	A₁	1063	1008	3.07
9	A₁	1025	972	8.05
10	A₁	619	587	4.28
11	A₂	1018	966	0.00
12	A₂	906	859	0.00
13	A₂	391	371	0.00
14	B₁	1023	971	0.01
15	B₁	974	924	0.00
16	B₁	770	730	6.09
17	B₁	722	685	57.90
18	B₁	423	401	3.38
19	B₂	3248	3080	25.86
20	B₂	3200	3035	33.26
21	B₂	1673	1587	11.17
22	B₂	1503	1426	28.00
23	B₂	1402	1330	0.06
24	B₂	1317	1249	0.00
25	B₂	1189	1128	2.47
26	B₂	1101	1044	0.05
27	B₂	675	640	0.41

Atom	y (Å)	z (Å)
N1	0.000	1.419
C2	0.000	-1.382
C3	1.137	0.719
C4	-1.137	0.719
C5	1.194	-0.671
C6	-1.194	-0.671
H7	0.000	-2.468
H8	2.053	1.306
H9	-2.053	1.306
H10	2.153	-1.179
H11	-2.153	-1.179

	N1	C2	C3	C4	C5	C6	H7	H8	H9	H10	H11
N1		2.8007	1.3352	1.3352	2.4068	2.4068	3.8866	2.0558	2.0558	3.3740	3.3740
C2	2.8007		2.3891	2.3891	1.3897	1.3897	1.0858	3.3824	3.3824	2.1624	2.1624
C3	1.3352	2.3891		2.2744	1.3913	2.7143	3.3838	1.0876	3.2435	2.1529	3.7984
C4	1.3352	2.3891	2.2744		2.7143	1.3913	3.3838	3.2435	1.0876	3.7984	2.1529
C5	2.4068	1.3897	1.3913	2.7143		2.3881	2.1574	2.1557	3.8015	1.0851	3.3853
C6	2.4068	1.3897	2.7143	1.3913	2.3881		2.1574	3.8015	2.1557	3.3853	1.0851
H7	3.8866	1.0858	3.3838	3.3838	2.1574	2.1574		4.2962	4.2962	2.5091	2.5091
H8	2.0558	3.3824	1.0876	3.2435	2.1557	3.8015	4.2962		4.1054	2.4874	4.8851
H9	2.0558	3.3824	3.2435	1.0876	3.8015	2.1557	4.2962	4.1054		4.8851	2.4874
H10	3.3740	2.1624	2.1529	3.7984	1.0851	3.3853	2.5091	2.4874	4.8851		4.3058
H11	3.3740	2.1624	3.7984	2.1529	3.3853	1.0851	2.5091	4.8851	2.4874	4.3058

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C3	C5	123.943	N1	C3	H8	115.724
N1	C4	C6	123.943	N1	C4	H9	115.724
C2	C5	C3	118.427	C2	C5	H10	121.312
C2	C6	C4	118.427	C2	C6	H11	121.312
C3	N1	C4	116.800	C3	C5	H10	120.261
C4	C6	H11	120.261	C5	C2	C6	118.461
C5	C2	H7	120.770	C5	C3	H8	120.333
C6	C2	H7	120.770	C6	C4	H9	120.333

All results from a given calculation for C₅H₅N (Pyridine)

using model chemistry: wB97X-D/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	-0.415
2	C	-0.137
3	C	0.017
4	C	0.017
5	C	-0.183
6	C	-0.183
7	H	0.182
8	H	0.175
9	H	0.175
10	H	0.177
11	H	0.177

<r²>	120.850
(<r²>)^1/2	10.993

All results from a given calculation for C5H5N (Pyridine)

using model chemistry: wB97X-D/6-31G*

States and conformations

All results from a given calculation for C₅H₅N (Pyridine)