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	hartrees
Energy at 0K	-248.373203
Energy at 298.15K	-248.379364
Nuclear repulsion energy	206.729574

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3194	3087	7.45
2	A₁	3170	3064	5.22
3	A₁	3146	3041	6.76
4	A₁	1627	1572	23.85
5	A₁	1518	1468	3.21
6	A₁	1244	1203	3.43
7	A₁	1097	1060	2.97
8	A₁	1052	1016	7.65
9	A₁	1013	979	5.71
10	A₁	617	597	4.71
11	A₂	1012	978	0.00
12	A₂	900	870	0.00
13	A₂	386	373	0.00
14	B₁	1024	990	0.02
15	B₁	965	933	0.00
16	B₁	769	744	6.40
17	B₁	722	698	62.60
18	B₁	421	407	3.53
19	B₂	3186	3079	26.74
20	B₂	3143	3038	30.02
21	B₂	1622	1567	8.97
22	B₂	1477	1428	27.24
23	B₂	1391	1345	0.12
24	B₂	1284	1241	0.05
25	B₂	1173	1134	2.43
26	B₂	1079	1043	0.09
27	B₂	671	649	0.23

Atom	y (Å)	z (Å)
N1	0.000	1.413
C2	0.000	-1.379
C3	1.139	0.720
C4	-1.139	0.720
C5	1.193	-0.670
C6	-1.193	-0.670
H7	0.000	-2.461
H8	2.053	1.303
H9	-2.053	1.303
H10	2.148	-1.178
H11	-2.148	-1.178

	N1	C2	C3	C4	C5	C6	H7	H8	H9	H10	H11
N1		2.7917	1.3333	1.3333	2.4002	2.4002	3.8739	2.0564	2.0564	3.3654	3.3654
C2	2.7917		2.3877	2.3877	1.3882	1.3882	1.0821	3.3775	3.3775	2.1575	2.1575
C3	1.3333	2.3877		2.2779	1.3904	2.7148	3.3784	1.0846	3.2452	2.1491	3.7954
C4	1.3333	2.3877	2.2779		2.7148	1.3904	3.3784	3.2452	1.0846	3.7954	2.1491
C5	2.4002	1.3882	1.3904	2.7148		2.3868	2.1524	2.1518	3.7990	1.0815	3.3799
C6	2.4002	1.3882	2.7148	1.3904	2.3868		2.1524	3.7990	2.1518	3.3799	1.0815
H7	3.8739	1.0821	3.3784	3.3784	2.1524	2.1524		4.2875	4.2875	2.5021	2.5021
H8	2.0564	3.3775	1.0846	3.2452	2.1518	3.7990	4.2875		4.1069	2.4824	4.8791
H9	2.0564	3.3775	3.2452	1.0846	3.7990	2.1518	4.2875	4.1069		4.8791	2.4824
H10	3.3654	2.1575	2.1491	3.7954	1.0815	3.3799	2.5021	2.4824	4.8791		4.2961
H11	3.3654	2.1575	3.7954	2.1491	3.3799	1.0815	2.5021	4.8791	2.4824	4.2961

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C3	C5	123.569	N1	C3	H8	116.150
N1	C4	C6	123.569	N1	C4	H9	116.150
C2	C5	C3	118.480	C2	C5	H10	121.252
C2	C6	C4	118.480	C2	C6	H11	121.252
C3	N1	C4	117.347	C3	C5	H10	120.268
C4	C6	H11	120.268	C5	C2	C6	118.555
C5	C2	H7	120.722	C5	C3	H8	120.281
C6	C2	H7	120.722	C6	C4	H9	120.281

All results from a given calculation for C₅H₅N (Pyridine)

using model chemistry: B3LYP/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	ESP
1	N	-0.157	-0.657
2	C	-0.110	0.278
3	C	-0.068	0.492
4	C	-0.068	0.492
5	C	-0.094	-0.512
6	C	-0.094	-0.512
7	H	0.114	0.058
8	H	0.119	0.007
9	H	0.119	0.007
10	H	0.121	0.174
11	H	0.121	0.174

<r²>	121.111
(<r²>)^1/2	11.005

All results from a given calculation for C5H5N (Pyridine)

using model chemistry: B3LYP/cc-pVTZ

States and conformations

All results from a given calculation for C₅H₅N (Pyridine)