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	hartrees
Energy at 0K	-248.025703
Energy at 298.15K	-248.031830
HF Energy	-248.025703
Nuclear repulsion energy	206.284003

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3237	3091	5.78
2	A₁	3214	3068	5.29
3	A₁	3193	3048	4.15
4	A₁	1658	1583	24.98
5	A₁	1525	1456	2.47
6	A₁	1252	1196	4.12
7	A₁	1103	1053	6.79
8	A₁	1055	1008	2.56
9	A₁	1019	973	6.57
10	A₁	611	583	3.44
11	A₂	1008	963	0.00
12	A₂	899	859	0.00
13	A₂	382	364	0.00
14	B₁	1018	972	0.00
15	B₁	964	921	0.01
16	B₁	763	729	13.21
17	B₁	718	685	71.24
18	B₁	417	398	3.82
19	B₂	3230	3084	22.53
20	B₂	3191	3046	26.80
21	B₂	1656	1581	11.98
22	B₂	1484	1417	26.45
23	B₂	1385	1322	0.00
24	B₂	1341	1280	0.00
25	B₂	1174	1121	2.23
26	B₂	1089	1040	0.01
27	B₂	669	638	0.37

Atom	y (Å)	z (Å)
N1	0.000	1.412
C2	0.000	-1.385
C3	1.140	0.725
C4	-1.140	0.725
C5	1.195	-0.671
C6	-1.195	-0.671
H7	0.000	-2.467
H8	2.053	1.307
H9	-2.053	1.307
H10	2.148	-1.185
H11	-2.148	-1.185

	N1	C2	C3	C4	C5	C6	H7	H8	H9	H10	H11
N1		2.7975	1.3307	1.3307	2.4016	2.4016	3.8790	2.0555	2.0555	3.3700	3.3700
C2	2.7975		2.3989	2.3989	1.3921	1.3921	1.0814	3.3855	3.3855	2.1570	2.1570
C3	1.3307	2.3989		2.2796	1.3977	2.7205	3.3896	1.0823	3.2450	2.1599	3.8022
C4	1.3307	2.3989	2.2796		2.7205	1.3977	3.3896	3.2450	1.0823	3.8022	2.1599
C5	2.4016	1.3921	1.3977	2.7205		2.3898	2.1569	2.1560	3.8026	1.0824	3.3818
C6	2.4016	1.3921	2.7205	1.3977	2.3898		2.1569	3.8026	2.1560	3.3818	1.0824
H7	3.8790	1.0814	3.3896	3.3896	2.1569	2.1569		4.2958	4.2958	2.5011	2.5011
H8	2.0555	3.3855	1.0823	3.2450	2.1560	3.8026	4.2958		4.1055	2.4935	4.8838
H9	2.0555	3.3855	3.2450	1.0823	3.8026	2.1560	4.2958	4.1055		4.8838	2.4935
H10	3.3700	2.1570	2.1599	3.8022	1.0824	3.3818	2.5011	2.4935	4.8838		4.2953
H11	3.3700	2.1570	3.8022	2.1599	3.3818	1.0824	2.5011	4.8838	2.4935	4.2953

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C3	C5	123.327	N1	C3	H8	116.445
N1	C4	C6	123.327	N1	C4	H9	116.445
C2	C5	C3	118.609	C2	C5	H10	120.797
C2	C6	C4	118.609	C2	C6	H11	120.797
C3	N1	C4	117.864	C3	C5	H10	120.594
C4	C6	H11	120.594	C5	C2	C6	118.263
C5	C2	H7	120.869	C5	C3	H8	120.228
C6	C2	H7	120.869	C6	C4	H9	120.228

All results from a given calculation for C₅H₅N (Pyridine)

using model chemistry: HSEh1PBE/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	-0.129
2	C	-0.389
3	C	-0.318
4	C	-0.318
5	C	0.177
6	C	0.177
7	H	0.166
8	H	0.153
9	H	0.153
10	H	0.163
11	H	0.163

<r²>	121.593
(<r²>)^1/2	11.027

All results from a given calculation for C5H5N (Pyridine)

using model chemistry: HSEh1PBE/6-31+G**

States and conformations

All results from a given calculation for C₅H₅N (Pyridine)