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	hartrees
Energy at 0K	-248.205400
Energy at 298.15K	-248.211521
Nuclear repulsion energy	205.818222

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3216	3103	6.00
2	A₁	3191	3079	4.69
3	A₁	3163	3053	7.82
4	A₁	1650	1592	23.46
5	A₁	1510	1457	3.44
6	A₁	1239	1195	2.82
7	A₁	1093	1055	5.49
8	A₁	1052	1015	3.00
9	A₁	1011	975	8.97
10	A₁	607	586	4.21
11	A₂	1002	967	0.00
12	A₂	896	865	0.00
13	A₂	380	367	0.00
14	B₁	1016	981	0.00
15	B₁	957	924	0.03
16	B₁	763	736	5.81
17	B₁	717	692	51.85
18	B₁	415	401	3.00
19	B₂	3207	3095	22.45
20	B₂	3161	3050	27.95
21	B₂	1644	1586	10.24
22	B₂	1468	1417	25.93
23	B₂	1365	1317	0.00
24	B₂	1334	1287	0.07
25	B₂	1159	1119	1.78
26	B₂	1081	1043	0.01
27	B₂	663	640	0.39

Atom	y (Å)	z (Å)
N1	0.000	1.422
C2	0.000	-1.386
C3	1.139	0.722
C4	-1.139	0.722
C5	1.198	-0.673
C6	-1.198	-0.673
H7	0.000	-2.479
H8	2.063	1.311
H9	-2.063	1.311
H10	2.162	-1.185
H11	-2.162	-1.185

	N1	C2	C3	C4	C5	C6	H7	H8	H9	H10	H11
N1		2.8080	1.3371	1.3371	2.4130	2.4130	3.9008	2.0663	2.0663	3.3870	3.3870
C2	2.8080		2.3963	2.3963	1.3939	1.3939	1.0928	3.3959	3.3959	2.1716	2.1716
C3	1.3371	2.3963		2.2787	1.3961	2.7216	3.3976	1.0958	3.2564	2.1641	3.8128
C4	1.3371	2.3963	2.2787		2.7216	1.3961	3.3976	3.2564	1.0958	3.8128	2.1641
C5	2.4130	1.3939	1.3961	2.7216		2.3953	2.1671	2.1646	3.8171	1.0922	3.3987
C6	2.4130	1.3939	2.7216	1.3961	2.3953		2.1671	3.8171	2.1646	3.3987	1.0922
H7	3.9008	1.0928	3.3976	3.3976	2.1671	2.1671		4.3153	4.3153	2.5198	2.5198
H8	2.0663	3.3959	1.0958	3.2564	2.1646	3.8171	4.3153		4.1266	2.4982	4.9078
H9	2.0663	3.3959	3.2564	1.0958	3.8171	2.1646	4.3153	4.1266		4.9078	2.4982
H10	3.3870	2.1716	2.1641	3.8128	1.0922	3.3987	2.5198	2.4982	4.9078		4.3245
H11	3.3870	2.1716	3.8128	2.1641	3.3987	1.0922	2.5198	4.9078	2.4982	4.3245

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C3	C5	123.956	N1	C3	H8	115.914
N1	C4	C6	123.956	N1	C4	H9	115.914
C2	C5	C3	118.380	C2	C5	H10	121.256
C2	C6	C4	118.380	C2	C6	H11	121.256
C3	N1	C4	116.876	C3	C5	H10	120.365
C4	C6	H11	120.365	C5	C2	C6	118.452
C5	C2	H7	120.774	C5	C3	H8	120.130
C6	C2	H7	120.774	C6	C4	H9	120.130

All results from a given calculation for C₅H₅N (Pyridine)

using model chemistry: B3PW91/cc-pVDZ

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	-0.217
2	C	0.054
3	C	0.102
4	C	0.102
5	C	-0.066
6	C	-0.066
7	H	0.016
8	H	0.027
9	H	0.027
10	H	0.011
11	H	0.011

<r²>	121.637
(<r²>)^1/2	11.029

All results from a given calculation for C5H5N (Pyridine)

using model chemistry: B3PW91/cc-pVDZ

States and conformations

All results from a given calculation for C₅H₅N (Pyridine)