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	hartrees
Energy at 0K	-248.279672
Energy at 298.15K	-248.285833
Nuclear repulsion energy	206.859397

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3224	3085	6.00
2	A₁	3200	3061	5.57
3	A₁	3175	3038	6.62
4	A₁	1656	1584	25.47
5	A₁	1524	1458	4.20
6	A₁	1251	1197	3.86
7	A₁	1104	1056	6.12
8	A₁	1057	1011	4.01
9	A₁	1020	976	8.03
10	A₁	614	587	4.17
11	A₂	1015	971	0.00
12	A₂	906	867	0.00
13	A₂	383	367	0.00
14	B₁	1025	981	0.00
15	B₁	968	926	0.02
16	B₁	771	737	8.88
17	B₁	724	692	68.27
18	B₁	420	401	3.51
19	B₂	3216	3077	23.76
20	B₂	3173	3035	29.02
21	B₂	1650	1579	10.51
22	B₂	1483	1419	28.71
23	B₂	1385	1325	0.03
24	B₂	1319	1262	0.00
25	B₂	1174	1123	2.25
26	B₂	1088	1041	0.00
27	B₂	670	641	0.38

Atom	y (Å)	z (Å)
N1	0.000	1.413
C2	0.000	-1.379
C3	1.136	0.719
C4	-1.136	0.719
C5	1.193	-0.670
C6	-1.193	-0.670
H7	0.000	-2.463
H8	2.051	1.304
H9	-2.051	1.304
H10	2.149	-1.178
H11	-2.149	-1.178

	N1	C2	C3	C4	C5	C6	H7	H8	H9	H10	H11
N1		2.7915	1.3309	1.3309	2.3996	2.3996	3.8754	2.0537	2.0537	3.3658	3.3658
C2	2.7915		2.3856	2.3856	1.3876	1.3876	1.0839	3.3773	3.3773	2.1587	2.1587
C3	1.3309	2.3856		2.2717	1.3898	2.7111	3.3784	1.0863	3.2401	2.1503	3.7933
C4	1.3309	2.3856	2.2717		2.7111	1.3898	3.3784	3.2401	1.0863	3.7933	2.1503
C5	2.3996	1.3876	1.3898	2.7111		2.3853	2.1535	2.1525	3.7970	1.0831	3.3803
C6	2.3996	1.3876	2.7111	1.3898	2.3853		2.1535	3.7970	2.1525	3.3803	1.0831
H7	3.8754	1.0839	3.3784	3.3784	2.1535	2.1535		4.2893	4.2893	2.5042	2.5042
H8	2.0537	3.3773	1.0863	3.2401	2.1525	3.7970	4.2893		4.1018	2.4840	4.8787
H9	2.0537	3.3773	3.2401	1.0863	3.7970	2.1525	4.2893	4.1018		4.8787	2.4840
H10	3.3658	2.1587	2.1503	3.7933	1.0831	3.3803	2.5042	2.4840	4.8787		4.2985
H11	3.3658	2.1587	3.7933	2.1503	3.3803	1.0831	2.5042	4.8787	2.4840	4.2985

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C3	C5	123.755	N1	C3	H8	115.977
N1	C4	C6	123.755	N1	C4	H9	115.977
C2	C5	C3	118.397	C2	C5	H10	121.291
C2	C6	C4	118.397	C2	C6	H11	121.291
C3	N1	C4	117.177	C3	C5	H10	120.312
C4	C6	H11	120.312	C5	C2	C6	118.520
C5	C2	H7	120.740	C5	C3	H8	120.268
C6	C2	H7	120.740	C6	C4	H9	120.268

All results from a given calculation for C₅H₅N (Pyridine)

using model chemistry: mPW1PW91/6-311G**

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
1	N	-0.328
2	C	0.001
3	C	0.082
4	C	0.082
5	C	-0.210
6	C	-0.210
7	H	0.115
8	H	0.123
9	H	0.123
10	H	0.111
11	H	0.111

<r²>	120.703
(<r²>)^1/2	10.986

All results from a given calculation for C5H5N (Pyridine)

using model chemistry: mPW1PW91/6-311G**

States and conformations

All results from a given calculation for C₅H₅N (Pyridine)