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	hartrees
Energy at 0K	-246.598039
Energy at 298.15K	-246.604102
Nuclear repulsion energy	203.950454

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3154	3126	3.86
2	A₁	3128	3100	4.89
3	A₁	3108	3080	12.16
4	A₁	1552	1538	15.91
5	A₁	1469	1456	8.40
6	A₁	1227	1216	1.05
7	A₁	1083	1073	0.08
8	A₁	1035	1026	7.90
9	A₁	963	954	3.58
10	A₁	615	610	3.71
11	A₂	994	985	0.00
12	A₂	889	881	0.00
13	A₂	365	362	0.00
14	B₁	1014	1005	0.04
15	B₁	946	937	0.25
16	B₁	764	757	2.04
17	B₁	711	705	84.36
18	B₁	413	409	3.03
19	B₂	3143	3114	24.36
20	B₂	3103	3075	23.03
21	B₂	1549	1535	2.50
22	B₂	1438	1425	27.87
23	B₂	1377	1364	0.51
24	B₂	1239	1228	1.45
25	B₂	1186	1175	1.15
26	B₂	1051	1041	0.24
27	B₂	668	662	0.56

Atom	y (Å)	z (Å)
N1	0.000	1.438
C2	0.000	-1.393
C3	1.160	0.725
C4	-1.160	0.725
C5	1.209	-0.678
C6	-1.209	-0.678
H7	0.000	-2.486
H8	2.086	1.308
H9	-2.086	1.308
H10	2.170	-1.196
H11	-2.170	-1.196

	N1	C2	C3	C4	C5	C6	H7	H8	H9	H10	H11
N1		2.8310	1.3611	1.3611	2.4368	2.4368	3.9237	2.0897	2.0897	3.4131	3.4131
C2	2.8310		2.4147	2.4147	1.4047	1.4047	1.0928	3.4127	3.4127	2.1793	2.1793
C3	1.3611	2.4147		2.3190	1.4037	2.7528	3.4138	1.0944	3.2971	2.1709	3.8444
C4	1.3611	2.4147	2.3190		2.7528	1.4037	3.4138	3.2971	1.0944	3.8444	2.1709
C5	2.4368	1.4047	1.4037	2.7528		2.4179	2.1750	2.1709	3.8469	1.0923	3.4189
C6	2.4368	1.4047	2.7528	1.4037	2.4179		2.1750	3.8469	2.1709	3.4189	1.0923
H7	3.9237	1.0928	3.4138	3.4138	2.1750	2.1750		4.3295	4.3295	2.5247	2.5247
H8	2.0897	3.4127	1.0944	3.2971	2.1709	3.8469	4.3295		4.1712	2.5058	4.9382
H9	2.0897	3.4127	3.2971	1.0944	3.8469	2.1709	4.3295	4.1712		4.9382	2.5058
H10	3.4131	2.1793	2.1709	3.8444	1.0923	3.4189	2.5247	2.5058	4.9382		4.3409
H11	3.4131	2.1793	3.8444	2.1709	3.4189	1.0923	2.5247	4.9382	2.5058	4.3409

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C3	C5	123.602	N1	C3	H8	116.218
N1	C4	C6	123.602	N1	C4	H9	116.218
C2	C5	C3	118.591	C2	C5	H10	121.061
C2	C6	C4	118.591	C2	C6	H11	121.061
C3	N1	C4	116.833	C3	C5	H10	120.348
C4	C6	H11	120.348	C5	C2	C6	118.780
C5	C2	H7	120.610	C5	C3	H8	120.180
C6	C2	H7	120.610	C6	C4	H9	120.180

All results from a given calculation for C₅H₅N (Pyridine)

using model chemistry: PBEPBE/3-21G

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	-0.494
2	C	-0.165
3	C	0.035
4	C	0.035
5	C	-0.237
6	C	-0.237
7	H	0.212
8	H	0.221
9	H	0.221
10	H	0.204
11	H	0.204

<r²>	123.546
(<r²>)^1/2	11.115

All results from a given calculation for C5H5N (Pyridine)

using model chemistry: PBEPBE/3-21G

States and conformations

All results from a given calculation for C₅H₅N (Pyridine)