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	hartrees
Energy at 0K	-247.984597
Energy at 298.15K	-247.990574
Nuclear repulsion energy	204.462552

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3135	3117	8.16
2	A₁	3111	3093	3.32
3	A₁	3079	3062	9.24
4	A₁	1589	1580	19.70
5	A₁	1459	1450	2.54
6	A₁	1202	1195	2.27
7	A₁	1060	1054	4.65
8	A₁	1023	1017	2.97
9	A₁	978	972	8.29
10	A₁	589	585	3.87
11	A₂	961	955	0.00
12	A₂	867	861	0.00
13	A₂	360	357	0.00
14	B₁	978	973	0.01
15	B₁	920	915	0.04
16	B₁	738	734	3.19
17	B₁	694	690	46.57
18	B₁	399	397	2.60
19	B₂	3125	3107	26.22
20	B₂	3077	3059	30.78
21	B₂	1585	1576	8.58
22	B₂	1421	1413	21.64
23	B₂	1323	1316	0.37
24	B₂	1315	1308	0.44
25	B₂	1126	1119	1.33
26	B₂	1048	1042	0.00
27	B₂	643	640	0.36

Atom	y (Å)	z (Å)
N1	0.000	1.435
C2	0.000	-1.395
C3	1.146	0.726
C4	-1.146	0.726
C5	1.204	-0.678
C6	-1.204	-0.678
H7	0.000	-2.496
H8	2.077	1.319
H9	-2.077	1.319
H10	2.176	-1.194
H11	-2.176	-1.194

	N1	C2	C3	C4	C5	C6	H7	H8	H9	H10	H11
N1		2.8302	1.3475	1.3475	2.4316	2.4316	3.9305	2.0803	2.0803	3.4122	3.4122
C2	2.8302		2.4109	2.4109	1.4021	1.4021	1.1003	3.4176	3.4176	2.1851	2.1851
C3	1.3475	2.4109		2.2918	1.4045	2.7374	3.4192	1.1039	3.2770	2.1783	3.8364
C4	1.3475	2.4109	2.2918		2.7374	1.4045	3.4192	3.2770	1.1039	3.8364	2.1783
C5	2.4316	1.4021	1.4045	2.7374		2.4088	2.1809	2.1786	3.8409	1.1000	3.4193
C6	2.4316	1.4021	2.7374	1.4045	2.4088		2.1809	3.8409	2.1786	3.4193	1.1000
H7	3.9305	1.1003	3.4192	3.4192	2.1809	2.1809		4.3432	4.3432	2.5355	2.5355
H8	2.0803	3.4176	1.1039	3.2770	2.1786	3.8409	4.3432		4.1540	2.5144	4.9395
H9	2.0803	3.4176	3.2770	1.1039	3.8409	2.1786	4.3432	4.1540		4.9395	2.5144
H10	3.4122	2.1851	2.1783	3.8364	1.1000	3.4193	2.5355	2.5144	4.9395		4.3515
H11	3.4122	2.1851	3.8364	2.1783	3.4193	1.1000	2.5355	4.9395	2.5144	4.3515

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C3	C5	124.137	N1	C3	H8	115.763
N1	C4	C6	124.137	N1	C4	H9	115.763
C2	C5	C3	118.406	C2	C5	H10	121.219
C2	C6	C4	118.406	C2	C6	H11	121.219
C3	N1	C4	116.502	C3	C5	H10	120.375
C4	C6	H11	120.375	C5	C2	C6	118.411
C5	C2	H7	120.794	C5	C3	H8	120.101
C6	C2	H7	120.794	C6	C4	H9	120.101

All results from a given calculation for C₅H₅N (Pyridine)

using model chemistry: PBEPBE/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	-0.173
2	C	0.068
3	C	0.091
4	C	0.091
5	C	-0.030
6	C	-0.030
7	H	-0.006
8	H	0.007
9	H	0.007
10	H	-0.013
11	H	-0.013

<r²>	123.114
(<r²>)^1/2	11.096

All results from a given calculation for C5H5N (Pyridine)

using model chemistry: PBEPBE/cc-pVDZ

States and conformations

All results from a given calculation for C₅H₅N (Pyridine)