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	hartrees
Energy at 0K	-248.195598
Energy at 298.15K	-248.201709
Nuclear repulsion energy	206.170166

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3223	3089	6.43
2	A₁	3198	3065	6.38
3	A₁	3174	3042	9.98
4	A₁	1652	1584	23.10
5	A₁	1525	1462	3.84
6	A₁	1251	1199	3.05
7	A₁	1101	1055	4.64
8	A₁	1053	1009	2.93
9	A₁	1012	970	8.31
10	A₁	609	584	4.12
11	A₂	999	958	0.00
12	A₂	899	861	0.00
13	A₂	381	365	0.00
14	B₁	1013	971	0.00
15	B₁	959	919	0.00
16	B₁	764	732	7.64
17	B₁	718	688	51.07
18	B₁	417	400	3.43
19	B₂	3215	3081	25.53
20	B₂	3171	3039	31.40
21	B₂	1649	1580	9.68
22	B₂	1483	1422	26.53
23	B₂	1385	1328	0.00
24	B₂	1333	1278	0.06
25	B₂	1175	1126	1.68
26	B₂	1088	1042	0.05
27	B₂	667	639	0.40

Atom	y (Å)	z (Å)
N1	0.000	1.419
C2	0.000	-1.383
C3	1.139	0.721
C4	-1.139	0.721
C5	1.197	-0.672
C6	-1.197	-0.672
H7	0.000	-2.470
H8	2.058	1.307
H9	-2.058	1.307
H10	2.156	-1.181
H11	-2.156	-1.181

	N1	C2	C3	C4	C5	C6	H7	H8	H9	H10	H11
N1		2.8020	1.3360	1.3360	2.4088	2.4088	3.8887	2.0608	2.0608	3.3775	3.3775
C2	2.8020		2.3931	2.3931	1.3922	1.3922	1.0867	3.3871	3.3871	2.1651	2.1651
C3	1.3360	2.3931		2.2790	1.3942	2.7200	3.3885	1.0893	3.2505	2.1570	3.8050
C4	1.3360	2.3931	2.2790		2.7200	1.3942	3.3885	3.2505	1.0893	3.8050	2.1570
C5	2.4088	1.3922	1.3942	2.7200		2.3934	2.1600	2.1581	3.8089	1.0859	3.3909
C6	2.4088	1.3922	2.7200	1.3942	2.3934		2.1600	3.8089	2.1581	3.3909	1.0859
H7	3.8887	1.0867	3.3885	3.3885	2.1600	2.1600		4.3012	4.3012	2.5115	2.5115
H8	2.0608	3.3871	1.0893	3.2505	2.1581	3.8089	4.3012		4.1156	2.4903	4.8934
H9	2.0608	3.3871	3.2505	1.0893	3.8089	2.1581	4.3012	4.1156		4.8934	2.4903
H10	3.3775	2.1651	2.1570	3.8050	1.0859	3.3909	2.5115	2.4903	4.8934		4.3113
H11	3.3775	2.1651	3.8050	2.1570	3.3909	1.0859	2.5115	4.8934	2.4903	4.3113

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C3	C5	123.824	N1	C3	H8	115.994
N1	C4	C6	123.824	N1	C4	H9	115.994
C2	C5	C3	118.379	C2	C5	H10	121.285
C2	C6	C4	118.379	C2	C6	H11	121.285
C3	N1	C4	117.057	C3	C5	H10	120.336
C4	C6	H11	120.336	C5	C2	C6	118.538
C5	C2	H7	120.731	C5	C3	H8	120.182
C6	C2	H7	120.731	C6	C4	H9	120.182

All results from a given calculation for C₅H₅N (Pyridine)

using model chemistry: B3PW91/6-31G**

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	-0.441
2	C	-0.089
3	C	0.074
4	C	0.074
5	C	-0.137
6	C	-0.137
7	H	0.135
8	H	0.132
9	H	0.132
10	H	0.129
11	H	0.129

<r²>	121.088
(<r²>)^1/2	11.004

All results from a given calculation for C5H5N (Pyridine)

using model chemistry: B3PW91/6-31G**

States and conformations

All results from a given calculation for C₅H₅N (Pyridine)