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	hartrees
Energy at 0K	-246.809520
Energy at 298.15K	-246.815587
Nuclear repulsion energy	203.601374

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3139	3122	6.19
2	A₁	3113	3096	6.39
3	A₁	3094	3077	15.28
4	A₁	1539	1530	16.37
5	A₁	1471	1463	5.21
6	A₁	1224	1217	1.09
7	A₁	1081	1075	0.04
8	A₁	1028	1022	7.71
9	A₁	952	947	3.01
10	A₁	619	616	3.86
11	A₂	992	986	0.00
12	A₂	889	884	0.00
13	A₂	372	370	0.00
14	B₁	1013	1007	0.04
15	B₁	944	939	0.16
16	B₁	762	758	2.10
17	B₁	714	710	68.90
18	B₁	417	415	3.03
19	B₂	3127	3110	33.07
20	B₂	3089	3072	26.69
21	B₂	1535	1527	1.45
22	B₂	1439	1431	24.70
23	B₂	1384	1376	1.61
24	B₂	1200	1193	2.50
25	B₂	1187	1181	0.33
26	B₂	1042	1037	0.62
27	B₂	670	666	0.45

Atom	y (Å)	z (Å)
N1	0.000	1.441
C2	0.000	-1.396
C3	1.163	0.726
C4	-1.163	0.726
C5	1.211	-0.680
C6	-1.211	-0.680
H7	0.000	-2.487
H8	2.088	1.308
H9	-2.088	1.308
H10	2.171	-1.197
H11	-2.171	-1.197

	N1	C2	C3	C4	C5	C6	H7	H8	H9	H10	H11
N1		2.8370	1.3651	1.3651	2.4419	2.4419	3.9282	2.0920	2.0920	3.4167	3.4167
C2	2.8370		2.4196	2.4196	1.4072	1.4072	1.0912	3.4163	3.4163	2.1801	2.1801
C3	1.3651	2.4196		2.3257	1.4062	2.7587	3.4170	1.0929	3.3023	2.1714	3.8488
C4	1.3651	2.4196	2.3257		2.7587	1.4062	3.4170	3.3023	1.0929	3.8488	2.1714
C5	2.4419	1.4072	1.4062	2.7587		2.4222	2.1759	2.1724	3.8513	1.0907	3.4215
C6	2.4419	1.4072	2.7587	1.4062	2.4222		2.1759	3.8513	2.1724	3.4215	1.0907
H7	3.9282	1.0912	3.4170	3.4170	2.1759	2.1759		4.3316	4.3316	2.5254	2.5254
H8	2.0920	3.4163	1.0929	3.3023	2.1724	3.8513	4.3316		4.1755	2.5067	4.9411
H9	2.0920	3.4163	3.3023	1.0929	3.8513	2.1724	4.3316	4.1755		4.9411	2.5067
H10	3.4167	2.1801	2.1714	3.8488	1.0907	3.4215	2.5254	2.5067	4.9411		4.3421
H11	3.4167	2.1801	3.8488	2.1714	3.4215	1.0907	2.5254	4.9411	2.5067	4.3421

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C3	C5	123.555	N1	C3	H8	116.220
N1	C4	C6	123.555	N1	C4	H9	116.220
C2	C5	C3	118.644	C2	C5	H10	121.050
C2	C6	C4	118.644	C2	C6	H11	121.050
C3	N1	C4	116.823	C3	C5	H10	120.305
C4	C6	H11	120.305	C5	C2	C6	118.779
C5	C2	H7	120.610	C5	C3	H8	120.225
C6	C2	H7	120.610	C6	C4	H9	120.225

All results from a given calculation for C₅H₅N (Pyridine)

using model chemistry: BLYP/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	-0.482
2	C	-0.132
3	C	0.058
4	C	0.058
5	C	-0.200
6	C	-0.200
7	H	0.179
8	H	0.189
9	H	0.189
10	H	0.170
11	H	0.170

<r²>	123.985
(<r²>)^1/2	11.135

All results from a given calculation for C5H5N (Pyridine)

using model chemistry: BLYP/3-21G

States and conformations

All results from a given calculation for C₅H₅N (Pyridine)