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	hartrees
Energy at 0K	-248.317389
Energy at 298.15K	-248.323466
HF Energy	-248.317389
Nuclear repulsion energy	205.521289

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3213	3092	9.34
2	A₁	3190	3070	8.95
3	A₁	3175	3056	5.16
4	A₁	1630	1569	22.54
5	A₁	1517	1460	1.59
6	A₁	1246	1199	3.86
7	A₁	1094	1053	5.58
8	A₁	1042	1003	3.75
9	A₁	1004	967	5.22
10	A₁	601	578	3.42
11	A₂	997	959	0.00
12	A₂	895	861	0.00
13	A₂	374	360	0.00
14	B₁	1009	971	0.00
15	B₁	956	920	0.03
16	B₁	754	726	15.78
17	B₁	713	686	65.06
18	B₁	410	395	3.70
19	B₂	3204	3084	38.77
20	B₂	3174	3055	25.80
21	B₂	1624	1563	9.61
22	B₂	1474	1418	24.62
23	B₂	1387	1335	0.03
24	B₂	1317	1267	0.09
25	B₂	1174	1130	1.99
26	B₂	1078	1038	0.02
27	B₂	658	633	0.36

Atom	y (Å)	z (Å)
N1	0.000	1.420
C2	0.000	-1.388
C3	1.147	0.725
C4	-1.147	0.725
C5	1.203	-0.674
C6	-1.203	-0.674
H7	0.000	-2.475
H8	2.064	1.312
H9	-2.064	1.312
H10	2.161	-1.185
H11	-2.161	-1.185

	N1	C2	C3	C4	C5	C6	H7	H8	H9	H10	H11
N1		2.8079	1.3406	1.3406	2.4149	2.4149	3.8947	2.0667	2.0667	3.3843	3.3843
C2	2.8079		2.4043	2.4043	1.3984	1.3984	1.0868	3.3983	3.3983	2.1707	2.1707
C3	1.3406	2.4043		2.2931	1.4006	2.7343	3.3992	1.0888	3.2635	2.1626	3.8194
C4	1.3406	2.4043	2.2931		2.7343	1.4006	3.3992	3.2635	1.0888	3.8194	2.1626
C5	2.4149	1.3984	1.4006	2.7343		2.4050	2.1651	2.1648	3.8228	1.0860	3.4021
C6	2.4149	1.3984	2.7343	1.4006	2.4050		2.1651	3.8228	2.1648	3.4021	1.0860
H7	3.8947	1.0868	3.3992	3.3992	2.1651	2.1651		4.3125	4.3125	2.5170	2.5170
H8	2.0667	3.3983	1.0888	3.2635	2.1648	3.8228	4.3125		4.1277	2.4982	4.9074
H9	2.0667	3.3983	3.2635	1.0888	3.8228	2.1648	4.3125	4.1277		4.9074	2.4982
H10	3.3843	2.1707	2.1626	3.8194	1.0860	3.4021	2.5170	2.4982	4.9074		4.3223
H11	3.3843	2.1707	3.8194	2.1626	3.4021	1.0860	2.5170	4.9074	2.4982	4.3223

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C3	C5	123.501	N1	C3	H8	116.196
N1	C4	C6	123.501	N1	C4	H9	116.196
C2	C5	C3	118.401	C2	C5	H10	121.284
C2	C6	C4	118.401	C2	C6	H11	121.284
C3	N1	C4	117.578	C3	C5	H10	120.315
C4	C6	H11	120.315	C5	C2	C6	118.618
C5	C2	H7	120.691	C5	C3	H8	120.303
C6	C2	H7	120.691	C6	C4	H9	120.303

All results from a given calculation for C₅H₅N (Pyridine)

using model chemistry: TPSSh/6-31+G**

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	-0.107
2	C	-0.395
3	C	-0.319
4	C	-0.319
5	C	0.186
6	C	0.186
7	H	0.160
8	H	0.148
9	H	0.148
10	H	0.157
11	H	0.157

<r²>	122.335
(<r²>)^1/2	11.060

All results from a given calculation for C5H5N (Pyridine)

using model chemistry: TPSSh/6-31+G**

States and conformations

All results from a given calculation for C₅H₅N (Pyridine)