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	hartrees
Energy at 0K	-41.158811
Energy at 298.15K	-41.164892
Nuclear repulsion energy	103.722389

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3181	3084	12.76
2	A₁	3157	3061	11.62
3	A₁	3140	3043	9.60
4	A₁	1606	1557	24.95
5	A₁	1501	1455	3.19
6	A₁	1231	1194	4.21
7	A₁	1079	1046	3.66
8	A₁	1029	998	7.42
9	A₁	989	959	4.65
10	A₁	604	586	3.68
11	A₂	997	967	0.00
12	A₂	898	870	0.00
13	A₂	385	373	0.00
14	B₁	1019	988	0.01
15	B₁	955	926	0.05
16	B₁	759	736	24.40
17	B₁	718	696	54.67
18	B₁	417	404	3.37
19	B₂	3173	3076	49.32
20	B₂	3138	3042	38.05
21	B₂	1601	1552	9.53
22	B₂	1457	1413	27.27
23	B₂	1375	1333	0.00
24	B₂	1270	1232	0.05
25	B₂	1153	1117	2.42
26	B₂	1060	1027	0.07
27	B₂	657	637	0.35

Atom	y (Å)	z (Å)
N1	0.000	1.439
C2	0.000	-1.387
C3	1.149	0.736
C4	-1.149	0.736
C5	1.206	-0.669
C6	-1.206	-0.669
H7	0.000	-2.477
H8	2.069	1.324
H9	-2.069	1.324
H10	2.169	-1.178
H11	-2.169	-1.178

	N1	C2	C3	C4	C5	C6	H7	H8	H9	H10	H11
N1		2.8266	1.3468	1.3468	2.4291	2.4291	3.9163	2.0719	2.0719	3.3993	3.3993
C2	2.8266		2.4143	2.4143	1.4039	1.4039	1.0897	3.4104	3.4104	2.1791	2.1791
C3	1.3468	2.4143		2.2974	1.4065	2.7424	3.4123	1.0918	3.2706	2.1692	3.8303
C4	1.3468	2.4143	2.2974		2.7424	1.4065	3.4123	3.2706	1.0918	3.8303	2.1692
C5	2.4291	1.4039	1.4065	2.7424		2.4126	2.1734	2.1717	3.8338	1.0890	3.4135
C6	2.4291	1.4039	2.7424	1.4065	2.4126		2.1734	3.8338	2.1717	3.4135	1.0890
H7	3.9163	1.0897	3.4123	3.4123	2.1734	2.1734		4.3275	4.3275	2.5283	2.5283
H8	2.0719	3.4104	1.0918	3.2706	2.1717	3.8338	4.3275		4.1374	2.5040	4.9212
H9	2.0719	3.4104	3.2706	1.0918	3.8338	2.1717	4.3275	4.1374		4.9212	2.5040
H10	3.3993	2.1791	2.1692	3.8303	1.0890	3.4135	2.5283	2.5040	4.9212		4.3381
H11	3.3993	2.1791	3.8303	2.1692	3.4135	1.0890	2.5283	4.9212	2.5040	4.3381

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C3	C5	123.818	N1	C3	H8	115.954
N1	C4	C6	123.818	N1	C4	H9	115.954
C2	C5	C3	118.421	C2	C5	H10	121.372
C2	C6	C4	118.421	C2	C6	H11	121.372
C3	N1	C4	117.060	C3	C5	H10	120.207
C4	C6	H11	120.207	C5	C2	C6	118.463
C5	C2	H7	120.768	C5	C3	H8	120.228
C6	C2	H7	120.768	C6	C4	H9	120.228

All results from a given calculation for C₅H₅N (Pyridine)

using model chemistry: B3LYP/CEP-121G*

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	0.144
2	C	-0.255
3	C	-0.416
4	C	-0.416
5	C	-0.006
6	C	-0.006
7	H	0.202
8	H	0.169
9	H	0.169
10	H	0.207
11	H	0.207

<r²>	100.040
(<r²>)^1/2	10.002

All results from a given calculation for C5H5N (Pyridine)

using model chemistry: B3LYP/CEP-121G*

States and conformations

All results from a given calculation for C₅H₅N (Pyridine)