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	hartrees
Energy at 0K	-248.188416
Energy at 298.15K	-248.194513
Nuclear repulsion energy	206.145685

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3227	3087	7.21
2	A₁	3203	3064	7.84
3	A₁	3181	3043	10.67
4	A₁	1656	1584	23.21
5	A₁	1532	1466	3.78
6	A₁	1256	1202	2.99
7	A₁	1104	1057	4.65
8	A₁	1054	1009	2.83
9	A₁	1014	970	8.25
10	A₁	610	583	4.06
11	A₂	996	953	0.00
12	A₂	898	859	0.00
13	A₂	382	365	0.00
14	B₁	1011	967	0.00
15	B₁	958	916	0.01
16	B₁	763	730	7.86
17	B₁	717	686	53.17
18	B₁	418	400	3.35
19	B₂	3219	3080	30.02
20	B₂	3179	3041	32.55
21	B₂	1652	1580	9.44
22	B₂	1489	1425	26.92
23	B₂	1394	1333	0.00
24	B₂	1334	1277	0.06
25	B₂	1181	1130	1.68
26	B₂	1091	1044	0.07
27	B₂	668	639	0.39

Atom	y (Å)	z (Å)
N1	0.000	1.419
C2	0.000	-1.384
C3	1.139	0.721
C4	-1.139	0.721
C5	1.197	-0.672
C6	-1.197	-0.672
H7	0.000	-2.471
H8	2.057	1.308
H9	-2.057	1.308
H10	2.156	-1.182
H11	-2.156	-1.182

	N1	C2	C3	C4	C5	C6	H7	H8	H9	H10	H11
N1		2.8024	1.3361	1.3361	2.4092	2.4092	3.8896	2.0601	2.0601	3.3782	3.3782
C2	2.8024		2.3933	2.3933	1.3924	1.3924	1.0872	3.3880	3.3880	2.1659	2.1659
C3	1.3361	2.3933		2.2788	1.3943	2.7201	3.3892	1.0896	3.2501	2.1574	3.8056
C4	1.3361	2.3933	2.2788		2.7201	1.3943	3.3892	3.2501	1.0896	3.8056	2.1574
C5	2.4092	1.3924	1.3943	2.7201		2.3938	2.1606	2.1591	3.8093	1.0864	3.3918
C6	2.4092	1.3924	2.7201	1.3943	2.3938		2.1606	3.8093	2.1591	3.3918	1.0864
H7	3.8896	1.0872	3.3892	3.3892	2.1606	2.1606		4.3027	4.3027	2.5124	2.5124
H8	2.0601	3.3880	1.0896	3.2501	2.1591	3.8093	4.3027		4.1143	2.4918	4.8942
H9	2.0601	3.3880	3.2501	1.0896	3.8093	2.1591	4.3027	4.1143		4.8942	2.4918
H10	3.3782	2.1659	2.1574	3.8056	1.0864	3.3918	2.5124	2.4918	4.8942		4.3128
H11	3.3782	2.1659	3.8056	2.1574	3.3918	1.0864	2.5124	4.8942	2.4918	4.3128

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C3	C5	123.845	N1	C3	H8	115.906
N1	C4	C6	123.845	N1	C4	H9	115.906
C2	C5	C3	118.371	C2	C5	H10	121.297
C2	C6	C4	118.371	C2	C6	H11	121.297
C3	N1	C4	117.035	C3	C5	H10	120.332
C4	C6	H11	120.332	C5	C2	C6	118.533
C5	C2	H7	120.733	C5	C3	H8	120.250
C6	C2	H7	120.733	C6	C4	H9	120.250

All results from a given calculation for C₅H₅N (Pyridine)

using model chemistry: B3PW91/6-31G*

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	ESP
1	N	-0.419	-0.628
2	C	-0.132	0.237
3	C	0.021	0.452
4	C	0.021	0.452
5	C	-0.178	-0.495
6	C	-0.178	-0.495
7	H	0.177	0.074
8	H	0.172	0.020
9	H	0.172	0.020
10	H	0.172	0.181
11	H	0.172	0.181

<r²>	121.103
(<r²>)^1/2	11.005

All results from a given calculation for C5H5N (Pyridine)

using model chemistry: B3PW91/6-31G*

States and conformations

All results from a given calculation for C₅H₅N (Pyridine)