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	hartrees
Energy at 0K	-248.373196
Energy at 298.15K	-248.379356
HF Energy	-248.373196
Nuclear repulsion energy	206.725388

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3194	3088	7.42
2	A₁	3170	3065	5.24
3	A₁	3147	3042	6.72
4	A₁	1627	1573	23.81
5	A₁	1518	1467	3.20
6	A₁	1244	1202	3.40
7	A₁	1096	1060	2.98
8	A₁	1052	1016	7.64
9	A₁	1012	979	5.72
10	A₁	617	596	4.71
11	A₂	1011	978	0.00
12	A₂	900	870	0.00
13	A₂	386	373	0.00
14	B₁	1023	989	0.03
15	B₁	964	932	0.01
16	B₁	769	743	6.25
17	B₁	721	697	62.77
18	B₁	421	407	3.50
19	B₂	3186	3080	26.78
20	B₂	3144	3039	29.85
21	B₂	1621	1567	8.90
22	B₂	1477	1428	27.22
23	B₂	1391	1344	0.12
24	B₂	1283	1241	0.06
25	B₂	1173	1134	2.43
26	B₂	1079	1043	0.10
27	B₂	671	648	0.23

Atom	y (Å)	z (Å)
N1	0.000	1.410
C2	0.000	-1.378
C3	1.140	0.721
C4	-1.140	0.721
C5	1.195	-0.670
C6	-1.195	-0.670
H7	0.000	-2.461
H8	2.056	1.303
H9	-2.056	1.303
H10	2.149	-1.178
H11	-2.149	-1.178

	N1	C2	C3	C4	C5	C6	H7	H8	H9	H10	H11
N1		2.7884	1.3323	1.3323	2.3982	2.3982	3.8706	2.0586	2.0586	3.3638	3.3638
C2	2.7884		2.3889	2.3889	1.3891	1.3891	1.0822	3.3788	3.3788	2.1582	2.1582
C3	1.3323	2.3889		2.2805	1.3914	2.7175	3.3796	1.0850	3.2487	2.1501	3.7979
C4	1.3323	2.3889	2.2805		2.7175	1.3914	3.3796	3.2487	1.0850	3.7979	2.1501
C5	2.3982	1.3891	1.3914	2.7175		2.3892	2.1529	2.1523	3.8021	1.0813	3.3819
C6	2.3982	1.3891	2.7175	1.3914	2.3892		2.1529	3.8021	2.1523	3.3819	1.0813
H7	3.8706	1.0822	3.3796	3.3796	2.1529	2.1529		4.2885	4.2885	2.5026	2.5026
H8	2.0586	3.3788	1.0850	3.2487	2.1523	3.8021	4.2885		4.1117	2.4827	4.8821
H9	2.0586	3.3788	3.2487	1.0850	3.8021	2.1523	4.2885	4.1117		4.8821	2.4827
H10	3.3638	2.1582	2.1501	3.7979	1.0813	3.3819	2.5026	2.4827	4.8821		4.2978
H11	3.3638	2.1582	3.7979	2.1501	3.3819	1.0813	2.5026	4.8821	2.4827	4.2978

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C3	C5	123.385	N1	C3	H8	116.405
N1	C4	C6	123.385	N1	C4	H9	116.405
C2	C5	C3	118.446	C2	C5	H10	121.267
C2	C6	C4	118.446	C2	C6	H11	121.267
C3	N1	C4	117.705	C3	C5	H10	120.286
C4	C6	H11	120.286	C5	C2	C6	118.631
C5	C2	H7	120.684	C5	C3	H8	120.210
C6	C2	H7	120.684	C6	C4	H9	120.210

All results from a given calculation for C₅H₅N (Pyridine)

using model chemistry: B3LYPultrafine/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
1	N	-0.157
2	C	-0.110
3	C	-0.068
4	C	-0.068
5	C	-0.094
6	C	-0.094
7	H	0.114
8	H	0.119
9	H	0.119
10	H	0.121
11	H	0.121

	x	y	z
x	4.771	0.000	0.000
y	0.000	10.951	-0.005
z	0.000	-0.005	10.081

<r²>	121.114
(<r²>)^1/2	11.005

All results from a given calculation for C5H5N (Pyridine)

using model chemistry: B3LYPultrafine/cc-pVTZ

States and conformations

All results from a given calculation for C₅H₅N (Pyridine)