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	hartrees
Energy at 0K	-248.302037
Energy at 298.15K	-248.308105
HF Energy	-248.302037
Nuclear repulsion energy	205.634382

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3216	3085	10.03
2	A₁	3191	3062	12.28
3	A₁	3175	3046	11.99
4	A₁	1640	1574	21.99
5	A₁	1530	1468	2.80
6	A₁	1255	1204	2.81
7	A₁	1100	1055	3.69
8	A₁	1046	1004	3.81
9	A₁	1005	965	7.19
10	A₁	602	577	4.13
11	A₂	992	951	0.00
12	A₂	898	862	0.00
13	A₂	376	361	0.00
14	B₁	1008	967	0.00
15	B₁	955	917	0.00
16	B₁	758	727	9.60
17	B₁	716	686	48.36
18	B₁	414	397	3.28
19	B₂	3206	3076	45.09
20	B₂	3173	3044	31.59
21	B₂	1633	1567	8.01
22	B₂	1484	1424	25.21
23	B₂	1398	1342	0.03
24	B₂	1321	1267	0.21
25	B₂	1183	1135	1.53
26	B₂	1085	1041	0.22
27	B₂	660	633	0.38

Atom	y (Å)	z (Å)
N1	0.000	1.420
C2	0.000	-1.387
C3	1.145	0.724
C4	-1.145	0.724
C5	1.202	-0.674
C6	-1.202	-0.674
H7	0.000	-2.475
H8	2.063	1.311
H9	-2.063	1.311
H10	2.161	-1.185
H11	-2.161	-1.185

	N1	C2	C3	C4	C5	C6	H7	H8	H9	H10	H11
N1		2.8077	1.3397	1.3397	2.4146	2.4146	3.8950	2.0659	2.0659	3.3846	3.3846
C2	2.8077		2.4022	2.4022	1.3974	1.3974	1.0873	3.3970	3.3970	2.1700	2.1700
C3	1.3397	2.4022		2.2897	1.3997	2.7316	3.3979	1.0898	3.2611	2.1628	3.8173
C4	1.3397	2.4022	2.2897		2.7316	1.3997	3.3979	3.2611	1.0898	3.8173	2.1628
C5	2.4146	1.3974	1.3997	2.7316		2.4033	2.1648	2.1643	3.8210	1.0866	3.4008
C6	2.4146	1.3974	2.7316	1.3997	2.4033		2.1648	3.8210	2.1643	3.4008	1.0866
H7	3.8950	1.0873	3.3979	3.3979	2.1648	2.1648		4.3118	4.3118	2.5162	2.5162
H8	2.0659	3.3970	1.0898	3.2611	2.1643	3.8210	4.3118		4.1260	2.4984	4.9062
H9	2.0659	3.3970	3.2611	1.0898	3.8210	2.1643	4.3118	4.1260		4.9062	2.4984
H10	3.3846	2.1700	2.1628	3.8173	1.0866	3.4008	2.5162	2.4984	4.9062		4.3211
H11	3.3846	2.1700	3.8173	2.1628	3.4008	1.0866	2.5162	4.9062	2.4984	4.3211

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C3	C5	123.617	N1	C3	H8	116.116
N1	C4	C6	123.617	N1	C4	H9	116.116
C2	C5	C3	118.369	C2	C5	H10	121.253
C2	C6	C4	118.369	C2	C6	H11	121.253
C3	N1	C4	117.418	C3	C5	H10	120.378
C4	C6	H11	120.378	C5	C2	C6	118.609
C5	C2	H7	120.695	C5	C3	H8	120.266
C6	C2	H7	120.695	C6	C4	H9	120.266

All results from a given calculation for C₅H₅N (Pyridine)

using model chemistry: TPSSh/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	-0.424
2	C	-0.127
3	C	0.029
4	C	0.029
5	C	-0.171
6	C	-0.171
7	H	0.171
8	H	0.167
9	H	0.167
10	H	0.166
11	H	0.166

<r²>	121.647
(<r²>)^1/2	11.029

All results from a given calculation for C5H5N (Pyridine)

using model chemistry: TPSSh/6-31G*

States and conformations

All results from a given calculation for C₅H₅N (Pyridine)