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	hartrees
Energy at 0K	-248.180644
Energy at 298.15K	-248.186749
Nuclear repulsion energy	206.619542

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3233	3087	6.00
2	A₁	3208	3063	6.49
3	A₁	3182	3038	10.01
4	A₁	1661	1585	22.69
5	A₁	1528	1459	3.79
6	A₁	1253	1196	2.93
7	A₁	1102	1052	4.61
8	A₁	1056	1008	1.82
9	A₁	1012	966	8.59
10	A₁	602	575	4.12
11	A₂	1002	957	0.00
12	A₂	901	860	0.00
13	A₂	380	363	0.00
14	B₁	1016	970	0.00
15	B₁	961	917	0.00
16	B₁	764	729	7.81
17	B₁	719	686	47.49
18	B₁	415	396	3.39
19	B₂	3225	3079	24.38
20	B₂	3179	3036	31.98
21	B₂	1660	1585	10.38
22	B₂	1486	1419	25.88
23	B₂	1385	1322	0.00
24	B₂	1339	1278	0.03
25	B₂	1173	1120	1.62
26	B₂	1090	1041	0.10
27	B₂	664	634	0.41

Atom	y (Å)	z (Å)
N1	0.000	1.416
C2	0.000	-1.381
C3	1.136	0.720
C4	-1.136	0.720
C5	1.194	-0.671
C6	-1.194	-0.671
H7	0.000	-2.466
H8	2.054	1.304
H9	-2.054	1.304
H10	2.151	-1.179
H11	-2.151	-1.179

	N1	C2	C3	C4	C5	C6	H7	H8	H9	H10	H11
N1		2.7963	1.3325	1.3325	2.4037	2.4037	3.8813	2.0566	2.0566	3.3706	3.3706
C2	2.7963		2.3881	2.3881	1.3891	1.3891	1.0850	3.3802	3.3802	2.1609	2.1609
C3	1.3325	2.3881		2.2728	1.3916	2.7136	3.3821	1.0876	3.2431	2.1531	3.7967
C4	1.3325	2.3881	2.2728		2.7136	1.3916	3.3821	3.2431	1.0876	3.7967	2.1531
C5	2.4037	1.3891	1.3916	2.7136		2.3878	2.1558	2.1539	3.8008	1.0841	3.3838
C6	2.4037	1.3891	2.7136	1.3916	2.3878		2.1558	3.8008	2.1539	3.3838	1.0841
H7	3.8813	1.0850	3.3821	3.3821	2.1558	2.1558		4.2930	4.2930	2.5069	2.5069
H8	2.0566	3.3802	1.0876	3.2431	2.1539	3.8008	4.2930		4.1072	2.4851	4.8835
H9	2.0566	3.3802	3.2431	1.0876	3.8008	2.1539	4.2930	4.1072		4.8835	2.4851
H10	3.3706	2.1609	2.1531	3.7967	1.0841	3.3838	2.5069	2.4851	4.8835		4.3029
H11	3.3706	2.1609	3.7967	2.1531	3.3838	1.0841	2.5069	4.8835	2.4851	4.3029

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C3	C5	123.849	N1	C3	H8	116.014
N1	C4	C6	123.849	N1	C4	H9	116.014
C2	C5	C3	118.373	C2	C5	H10	121.295
C2	C6	C4	118.373	C2	C6	H11	121.295
C3	N1	C4	117.040	C3	C5	H10	120.332
C4	C6	H11	120.332	C5	C2	C6	118.517
C5	C2	H7	120.742	C5	C3	H8	120.137
C6	C2	H7	120.742	C6	C4	H9	120.137

All results from a given calculation for C₅H₅N (Pyridine)

using model chemistry: B1B95/6-31G**

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	-0.431
2	C	-0.081
3	C	0.076
4	C	0.076
5	C	-0.123
6	C	-0.123
7	H	0.125
8	H	0.122
9	H	0.122
10	H	0.119
11	H	0.119

<r²>	120.658
(<r²>)^1/2	10.984

All results from a given calculation for C5H5N (Pyridine)

using model chemistry: B1B95/6-31G**

States and conformations

All results from a given calculation for C₅H₅N (Pyridine)