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	hartrees
Energy at 0K	-246.740819
Energy at 298.15K	-246.747256
Nuclear repulsion energy	208.033871

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3375	3053	7.47
2	A₁	3349	3029	27.42
3	A₁	3337	3018	2.99
4	A₁	1790	1618	43.04
5	A₁	1651	1493	7.40
6	A₁	1339	1211	6.06
7	A₁	1175	1062	3.57
8	A₁	1120	1013	9.26
9	A₁	1088	984	4.13
10	A₁	660	597	5.12
11	A₂	1121	1014	0.00
12	A₂	981	887	0.00
13	A₂	436	394	0.00
14	B₁	1122	1015	0.27
15	B₁	1069	967	0.04
16	B₁	836	756	21.23
17	B₁	775	701	71.09
18	B₁	463	418	3.88
19	B₂	3366	3045	54.64
20	B₂	3337	3018	27.53
21	B₂	1777	1607	19.87
22	B₂	1597	1445	40.34
23	B₂	1502	1359	1.13
24	B₂	1305	1180	0.37
25	B₂	1167	1055	5.17
26	B₂	1148	1038	5.04
27	B₂	719	650	0.25

Atom	y (Å)	z (Å)
N1	0.000	1.400
C2	0.000	-1.372
C3	1.129	0.717
C4	-1.129	0.717
C5	1.189	-0.666
C6	-1.189	-0.666
H7	0.000	-2.447
H8	2.034	1.300
H9	-2.034	1.300
H10	2.139	-1.168
H11	-2.139	-1.168

	N1	C2	C3	C4	C5	C6	H7	H8	H9	H10	H11
N1		2.7716	1.3195	1.3195	2.3837	2.3837	3.8471	2.0366	2.0366	3.3422	3.3422
C2	2.7716		2.3749	2.3749	1.3831	1.3831	1.0755	3.3582	3.3582	2.1487	2.1487
C3	1.3195	2.3749		2.2586	1.3847	2.7000	3.3602	1.0763	3.2167	2.1389	3.7733
C4	1.3195	2.3749	2.2586		2.7000	1.3847	3.3602	3.2167	1.0763	3.7733	2.1389
C5	2.3837	1.3831	1.3847	2.7000		2.3787	2.1419	2.1399	3.7758	1.0743	3.3661
C6	2.3837	1.3831	2.7000	1.3847	2.3787		2.1419	3.7758	2.1399	3.3661	1.0743
H7	3.8471	1.0755	3.3602	3.3602	2.1419	2.1419		4.2639	4.2639	2.4923	2.4923
H8	2.0366	3.3582	1.0763	3.2167	2.1399	3.7758	4.2639		4.0684	2.4705	4.8486
H9	2.0366	3.3582	3.2167	1.0763	3.7758	2.1399	4.2639	4.0684		4.8486	2.4705
H10	3.3422	2.1487	2.1389	3.7733	1.0743	3.3661	2.4923	2.4705	4.8486		4.2781
H11	3.3422	2.1487	3.7733	2.1389	3.3661	1.0743	2.4923	4.8486	2.4705	4.2781

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C3	C5	123.630	N1	C3	H8	116.078
N1	C4	C6	123.630	N1	C4	H9	116.078
C2	C5	C3	118.201	C2	C5	H10	121.442
C2	C6	C4	118.201	C2	C6	H11	121.442
C3	N1	C4	117.714	C3	C5	H10	120.357
C4	C6	H11	120.357	C5	C2	C6	118.624
C5	C2	H7	120.688	C5	C3	H8	120.292
C6	C2	H7	120.688	C6	C4	H9	120.292

All results from a given calculation for C₅H₅N (Pyridine)

using model chemistry: HF/6-311G*

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	CHELPG	ESP
1	N	-0.398	-0.685	-0.713
2	C	-0.084	0.253	0.313
3	C	0.030	0.493	0.539
4	C	0.030	0.493	0.539
5	C	-0.351	-0.482	-0.615
6	C	-0.351	-0.482	-0.615
7	H	0.230	0.065	0.081
8	H	0.226	0.010	0.022
9	H	0.226	0.010	0.022
10	H	0.221	0.163	0.214
11	H	0.221	0.163	0.214

<r²>	119.924
(<r²>)^1/2	10.951

All results from a given calculation for C5H5N (Pyridine)

using model chemistry: HF/6-311G*

States and conformations

All results from a given calculation for C₅H₅N (Pyridine)