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	hartrees
Energy at 0K	-248.051190
Energy at 298.15K	-248.057187
Nuclear repulsion energy	205.578843

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3123	3102	8.75
2	A₁	3100	3079	3.50
3	A₁	3071	3050	7.47
4	A₁	1579	1568	20.51
5	A₁	1466	1456	2.76
6	A₁	1207	1199	2.82
7	A₁	1065	1058	3.84
8	A₁	1025	1018	4.99
9	A₁	981	974	6.83
10	A₁	593	589	4.32
11	A₂	966	960	0.00
12	A₂	867	861	0.00
13	A₂	359	356	0.00
14	B₁	980	973	0.00
15	B₁	924	918	0.02
16	B₁	743	737	2.94
17	B₁	694	689	62.07
18	B₁	400	397	3.03
19	B₂	3114	3093	27.56
20	B₂	3068	3047	32.50
21	B₂	1575	1564	8.05
22	B₂	1428	1418	24.02
23	B₂	1338	1329	0.00
24	B₂	1291	1283	0.41
25	B₂	1138	1130	1.72
26	B₂	1050	1043	0.03
27	B₂	646	642	0.25

Atom	y (Å)	z (Å)
N1	0.000	1.424
C2	0.000	-1.387
C3	1.143	0.722
C4	-1.143	0.722
C5	1.199	-0.674
C6	-1.199	-0.674
H7	0.000	-2.478
H8	2.066	1.310
H9	-2.066	1.310
H10	2.161	-1.186
H11	-2.161	-1.186

	N1	C2	C3	C4	C5	C6	H7	H8	H9	H10	H11
N1		2.8112	1.3416	1.3416	2.4163	2.4163	3.9023	2.0692	2.0692	3.3890	3.3890
C2	2.8112		2.3988	2.3988	1.3947	1.3947	1.0910	3.3971	3.3971	2.1708	2.1708
C3	1.3416	2.3988		2.2863	1.3969	2.7262	3.3980	1.0941	3.2626	2.1627	3.8159
C4	1.3416	2.3988	2.2863		2.7262	1.3969	3.3980	3.2626	1.0941	3.8159	2.1627
C5	2.4163	1.3947	1.3969	2.7262		2.3972	2.1660	2.1648	3.8199	1.0906	3.3989
C6	2.4163	1.3947	2.7262	1.3969	2.3972		2.1660	3.8199	2.1648	3.3989	1.0906
H7	3.9023	1.0910	3.3980	3.3980	2.1660	2.1660		4.3145	4.3145	2.5182	2.5182
H8	2.0692	3.3971	1.0941	3.2626	2.1648	3.8199	4.3145		4.1321	2.4974	4.9092
H9	2.0692	3.3971	3.2626	1.0941	3.8199	2.1648	4.3145	4.1321		4.9092	2.4974
H10	3.3890	2.1708	2.1627	3.8159	1.0906	3.3989	2.5182	2.4974	4.9092		4.3230
H11	3.3890	2.1708	3.8159	2.1627	3.3989	1.0906	2.5182	4.9092	2.4974	4.3230

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C3	C5	123.840	N1	C3	H8	115.950
N1	C4	C6	123.840	N1	C4	H9	115.950
C2	C5	C3	118.477	C2	C5	H10	121.238
C2	C6	C4	118.477	C2	C6	H11	121.238
C3	N1	C4	116.871	C3	C5	H10	120.284
C4	C6	H11	120.284	C5	C2	C6	118.495
C5	C2	H7	120.752	C5	C3	H8	120.211
C6	C2	H7	120.752	C6	C4	H9	120.211

All results from a given calculation for C₅H₅N (Pyridine)

using model chemistry: PBEPBE/cc-pVTZ

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	-0.140
2	C	-0.083
3	C	-0.050
4	C	-0.050
5	C	-0.108
6	C	-0.108
7	H	0.106
8	H	0.108
9	H	0.108
10	H	0.109
11	H	0.109

<r²>	122.172
(<r²>)^1/2	11.053

All results from a given calculation for C5H5N (Pyridine)

using model chemistry: PBEPBE/cc-pVTZ

States and conformations

All results from a given calculation for C₅H₅N (Pyridine)