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	hartrees
Energy at 0K	-248.135666
Energy at 298.15K	-248.141649
HF Energy	-248.135666
Nuclear repulsion energy	204.854292

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3155	3101	13.41
2	A₁	3132	3078	6.78
3	A₁	3112	3058	7.87
4	A₁	1589	1562	21.19
5	A₁	1480	1454	1.06
6	A₁	1219	1198	3.84
7	A₁	1072	1054	4.83
8	A₁	1027	1010	4.55
9	A₁	985	968	5.12
10	A₁	601	591	3.25
11	A₂	961	944	0.00
12	A₂	864	849	0.00
13	A₂	362	355	0.00
14	B₁	974	957	0.00
15	B₁	923	907	0.04
16	B₁	734	721	8.28
17	B₁	691	679	69.04
18	B₁	401	394	3.55
19	B₂	3146	3092	43.35
20	B₂	3110	3057	34.54
21	B₂	1584	1557	9.35
22	B₂	1441	1416	22.77
23	B₂	1355	1332	0.01
24	B₂	1299	1276	0.40
25	B₂	1152	1133	1.90
26	B₂	1056	1037	0.02
27	B₂	654	643	0.29

Atom	y (Å)	z (Å)
N1	0.000	1.429
C2	0.000	-1.393
C3	1.148	0.725
C4	-1.148	0.725
C5	1.204	-0.677
C6	-1.204	-0.677
H7	0.000	-2.483
H8	2.068	1.314
H9	-2.068	1.314
H10	2.166	-1.188
H11	-2.166	-1.188

	N1	C2	C3	C4	C5	C6	H7	H8	H9	H10	H11
N1		2.8224	1.3467	1.3467	2.4260	2.4260	3.9125	2.0711	2.0711	3.3978	3.3978
C2	2.8224		2.4092	2.4092	1.4010	1.4010	1.0901	3.4065	3.4065	2.1759	2.1759
C3	1.3467	2.4092		2.2957	1.4030	2.7380	3.4074	1.0923	3.2692	2.1676	3.8269
C4	1.3467	2.4092	2.2957		2.7380	1.4030	3.4074	3.2692	1.0923	3.8269	2.1676
C5	2.4260	1.4010	1.4030	2.7380		2.4081	2.1709	2.1701	3.8300	1.0897	3.4089
C6	2.4260	1.4010	2.7380	1.4030	2.4081		2.1709	3.8300	2.1701	3.4089	1.0897
H7	3.9125	1.0901	3.4074	3.4074	2.1709	2.1709		4.3237	4.3237	2.5237	2.5237
H8	2.0711	3.4065	1.0923	3.2692	2.1701	3.8300	4.3237		4.1358	2.5042	4.9183
H9	2.0711	3.4065	3.2692	1.0923	3.8300	2.1701	4.3237	4.1358		4.9183	2.5042
H10	3.3978	2.1759	2.1676	3.8269	1.0897	3.4089	2.5237	2.5042	4.9183		4.3326
H11	3.3978	2.1759	3.8269	2.1676	3.4089	1.0897	2.5237	4.9183	2.5042	4.3326

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C3	C5	123.774	N1	C3	H8	115.862
N1	C4	C6	123.774	N1	C4	H9	115.862
C2	C5	C3	118.470	C2	C5	H10	121.263
C2	C6	C4	118.470	C2	C6	H11	121.263
C3	N1	C4	117.011	C3	C5	H10	120.266
C4	C6	H11	120.266	C5	C2	C6	118.500
C5	C2	H7	120.750	C5	C3	H8	120.364
C6	C2	H7	120.750	C6	C4	H9	120.364

All results from a given calculation for C₅H₅N (Pyridine)

using model chemistry: B97D3/6-31+G**

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	-0.130
2	C	-0.346
3	C	-0.293
4	C	-0.293
5	C	0.181
6	C	0.181
7	H	0.145
8	H	0.136
9	H	0.136
10	H	0.141
11	H	0.141

<r²>	123.100
(<r²>)^1/2	11.095

All results from a given calculation for C5H5N (Pyridine)

using model chemistry: B97D3/6-31+G**

States and conformations

All results from a given calculation for C₅H₅N (Pyridine)