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	hartrees
Energy at 0K	-246.725023
Energy at 298.15K	-246.731453
Nuclear repulsion energy	207.390024

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3369	3068	4.64
2	A₁	3342	3043	14.40
3	A₁	3329	3032	1.96
4	A₁	1782	1623	41.33
5	A₁	1633	1487	6.04
6	A₁	1326	1208	6.15
7	A₁	1167	1063	3.25
8	A₁	1116	1016	7.59
9	A₁	1083	987	4.57
10	A₁	655	597	5.18
11	A₂	1115	1016	0.00
12	A₂	968	882	0.00
13	A₂	430	392	0.00
14	B₁	1106	1007	0.17
15	B₁	1061	966	0.02
16	B₁	827	753	24.01
17	B₁	767	698	69.49
18	B₁	458	417	4.08
19	B₂	3361	3061	31.17
20	B₂	3330	3033	21.87
21	B₂	1770	1612	23.01
22	B₂	1582	1440	36.01
23	B₂	1483	1350	0.84
24	B₂	1295	1180	0.03
25	B₂	1175	1070	12.12
26	B₂	1148	1045	2.27
27	B₂	712	648	0.10

Atom	y (Å)	z (Å)
N1	0.000	1.404
C2	0.000	-1.376
C3	1.133	0.720
C4	-1.133	0.720
C5	1.192	-0.668
C6	-1.192	-0.668
H7	0.000	-2.457
H8	2.044	1.302
H9	-2.044	1.302
H10	2.147	-1.172
H11	-2.147	-1.172

	N1	C2	C3	C4	C5	C6	H7	H8	H9	H10	H11
N1		2.7796	1.3234	1.3234	2.3904	2.3904	3.8606	2.0464	2.0464	3.3534	3.3534
C2	2.7796		2.3818	2.3818	1.3867	1.3867	1.0810	3.3689	3.3689	2.1567	2.1567
C3	1.3234	2.3818		2.2654	1.3887	2.7075	3.3722	1.0816	3.2296	2.1464	3.7861
C4	1.3234	2.3818	2.2654		2.7075	1.3887	3.3722	3.2296	1.0816	3.7861	2.1464
C5	2.3904	1.3867	1.3887	2.7075		2.3848	2.1499	2.1463	3.7888	1.0797	3.3773
C6	2.3904	1.3867	2.7075	1.3887	2.3848		2.1499	3.7888	2.1463	3.3773	1.0797
H7	3.8606	1.0810	3.3722	3.3722	2.1499	2.1499		4.2788	4.2788	2.5021	2.5021
H8	2.0464	3.3689	1.0816	3.2296	2.1463	3.7888	4.2788		4.0877	2.4766	4.8669
H9	2.0464	3.3689	3.2296	1.0816	3.7888	2.1463	4.2788	4.0877		4.8669	2.4766
H10	3.3534	2.1567	2.1464	3.7861	1.0797	3.3773	2.5021	2.4766	4.8669		4.2942
H11	3.3534	2.1567	3.7861	2.1464	3.3773	1.0797	2.5021	4.8669	2.4766	4.2942

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C3	C5	123.604	N1	C3	H8	116.255
N1	C4	C6	123.604	N1	C4	H9	116.255
C2	C5	C3	118.233	C2	C5	H10	121.464
C2	C6	C4	118.233	C2	C6	H11	121.464
C3	N1	C4	117.720	C3	C5	H10	120.303
C4	C6	H11	120.303	C5	C2	C6	118.606
C5	C2	H7	120.697	C5	C3	H8	120.141
C6	C2	H7	120.697	C6	C4	H9	120.141

All results from a given calculation for C₅H₅N (Pyridine)

using model chemistry: HF/aug-cc-pVDZ

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	-0.553
2	C	-0.025
3	C	0.365
4	C	0.365
5	C	0.854
6	C	0.854
7	H	-0.388
8	H	-0.326
9	H	-0.326
10	H	-0.409
11	H	-0.409

<r²>	120.777
(<r²>)^1/2	10.990

All results from a given calculation for C5H5N (Pyridine)

using model chemistry: HF/aug-cc-pVDZ

States and conformations

All results from a given calculation for C₅H₅N (Pyridine)