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	hartrees
Energy at 0K	-247.967930
Energy at 298.15K	-247.973877
Nuclear repulsion energy	204.750490

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3143	3091	9.34
2	A₁	3120	3068	5.58
3	A₁	3094	3043	12.03
4	A₁	1596	1570	19.57
5	A₁	1482	1458	2.64
6	A₁	1220	1199	2.47
7	A₁	1072	1054	3.98
8	A₁	1026	1009	2.76
9	A₁	980	964	7.64
10	A₁	592	582	3.73
11	A₂	951	935	0.00
12	A₂	866	852	0.00
13	A₂	361	355	0.00
14	B₁	969	953	0.02
15	B₁	919	904	0.00
16	B₁	737	725	5.14
17	B₁	694	683	48.48
18	B₁	401	395	2.91
19	B₂	3134	3082	32.13
20	B₂	3091	3040	34.87
21	B₂	1593	1567	7.67
22	B₂	1442	1418	22.75
23	B₂	1351	1328	0.04
24	B₂	1318	1296	0.61
25	B₂	1149	1130	1.21
26	B₂	1058	1041	0.09
27	B₂	648	638	0.35

Atom	y (Å)	z (Å)
N1	0.000	1.432
C2	0.000	-1.393
C3	1.146	0.725
C4	-1.146	0.725
C5	1.204	-0.677
C6	-1.204	-0.677
H7	0.000	-2.488
H8	2.072	1.316
H9	-2.072	1.316
H10	2.171	-1.191
H11	-2.171	-1.191

	N1	C2	C3	C4	C5	C6	H7	H8	H9	H10	H11
N1		2.8248	1.3468	1.3468	2.4282	2.4282	3.9200	2.0749	2.0749	3.4042	3.4042
C2	2.8248		2.4079	2.4079	1.4008	1.4008	1.0952	3.4101	3.4101	2.1799	2.1799
C3	1.3468	2.4079		2.2923	1.4028	2.7363	3.4112	1.0981	3.2717	2.1721	3.8300
C4	1.3468	2.4079	2.2923		2.7363	1.4028	3.4112	3.2717	1.0981	3.8300	2.1721
C5	2.4282	1.4008	1.4028	2.7363		2.4079	2.1749	2.1733	3.8341	1.0947	3.4134
C6	2.4282	1.4008	2.7363	1.4028	2.4079		2.1749	3.8341	2.1733	3.4134	1.0947
H7	3.9200	1.0952	3.4112	3.4112	2.1749	2.1749		4.3315	4.3315	2.5288	2.5288
H8	2.0749	3.4101	1.0981	3.2717	2.1733	3.8341	4.3315		4.1433	2.5083	4.9273
H9	2.0749	3.4101	3.2717	1.0981	3.8341	2.1733	4.3315	4.1433		4.9273	2.5083
H10	3.4042	2.1799	2.1721	3.8300	1.0947	3.4134	2.5288	2.5083	4.9273		4.3411
H11	3.4042	2.1799	3.8300	2.1721	3.4134	1.0947	2.5288	4.9273	2.5083	4.3411

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C3	C5	124.033	N1	C3	H8	115.765
N1	C4	C6	124.033	N1	C4	H9	115.765
C2	C5	C3	118.383	C2	C5	H10	121.263
C2	C6	C4	118.383	C2	C6	H11	121.263
C3	N1	C4	116.655	C3	C5	H10	120.354
C4	C6	H11	120.354	C5	C2	C6	118.512
C5	C2	H7	120.744	C5	C3	H8	120.202
C6	C2	H7	120.744	C6	C4	H9	120.202

All results from a given calculation for C₅H₅N (Pyridine)

using model chemistry: PBEPBEultrafine/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	-0.379
2	C	-0.116
3	C	0.017
4	C	0.017
5	C	-0.141
6	C	-0.141
7	H	0.152
8	H	0.150
9	H	0.150
10	H	0.146
11	H	0.146

<r²>	122.567
(<r²>)^1/2	11.071

All results from a given calculation for C5H5N (Pyridine)

using model chemistry: PBEPBEultrafine/6-31G*

States and conformations

All results from a given calculation for C₅H₅N (Pyridine)