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	hartrees
Energy at 0K	-246.749673
Energy at 298.15K	-246.756123
Nuclear repulsion energy	208.031415

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3359	3051	5.34
2	A₁	3331	3026	18.81
3	A₁	3318	3015	3.64
4	A₁	1785	1621	42.01
5	A₁	1642	1492	8.08
6	A₁	1334	1212	6.25
7	A₁	1172	1065	3.79
8	A₁	1117	1015	8.96
9	A₁	1087	987	4.25
10	A₁	659	598	5.15
11	A₂	1125	1023	0.00
12	A₂	983	893	0.00
13	A₂	435	396	0.00
14	B₁	1127	1024	0.26
15	B₁	1072	973	0.03
16	B₁	836	760	21.17
17	B₁	776	705	67.31
18	B₁	462	419	4.04
19	B₂	3350	3044	37.76
20	B₂	3318	3015	25.96
21	B₂	1772	1610	20.06
22	B₂	1590	1445	40.27
23	B₂	1494	1357	0.88
24	B₂	1298	1179	0.26
25	B₂	1165	1059	5.73
26	B₂	1146	1042	4.67
27	B₂	718	652	0.26

Atom	y (Å)	z (Å)
N1	0.000	1.400
C2	0.000	-1.372
C3	1.130	0.717
C4	-1.130	0.717
C5	1.189	-0.666
C6	-1.189	-0.666
H7	0.000	-2.447
H8	2.036	1.299
H9	-2.036	1.299
H10	2.139	-1.168
H11	-2.139	-1.168

	N1	C2	C3	C4	C5	C6	H7	H8	H9	H10	H11
N1		2.7713	1.3197	1.3197	2.3834	2.3834	3.8469	2.0381	2.0381	3.3420	3.3420
C2	2.7713		2.3749	2.3749	1.3829	1.3829	1.0756	3.3580	3.3580	2.1486	2.1486
C3	1.3197	2.3749		2.2592	1.3846	2.7001	3.3602	1.0766	3.2182	2.1387	3.7734
C4	1.3197	2.3749	2.2592		2.7001	1.3846	3.3602	3.2182	1.0766	3.7734	2.1387
C5	2.3834	1.3829	1.3846	2.7001		2.3784	2.1419	2.1395	3.7763	1.0744	3.3658
C6	2.3834	1.3829	2.7001	1.3846	2.3784		2.1419	3.7763	2.1395	3.3658	1.0744
H7	3.8469	1.0756	3.3602	3.3602	2.1419	2.1419		4.2636	4.2636	2.4922	2.4922
H8	2.0381	3.3580	1.0766	3.2182	2.1395	3.7763	4.2636		4.0712	2.4694	4.8491
H9	2.0381	3.3580	3.2182	1.0766	3.7763	2.1395	4.2636	4.0712		4.8491	2.4694
H10	3.3420	2.1486	2.1387	3.7734	1.0744	3.3658	2.4922	2.4694	4.8491		4.2779
H11	3.3420	2.1486	3.7734	2.1387	3.3658	1.0744	2.4922	4.8491	2.4694	4.2779

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C3	C5	123.599	N1	C3	H8	116.168
N1	C4	C6	123.599	N1	C4	H9	116.168
C2	C5	C3	118.220	C2	C5	H10	121.439
C2	C6	C4	118.220	C2	C6	H11	121.439
C3	N1	C4	117.737	C3	C5	H10	120.341
C4	C6	H11	120.341	C5	C2	C6	118.625
C5	C2	H7	120.688	C5	C3	H8	120.234
C6	C2	H7	120.688	C6	C4	H9	120.234

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
1	N	-0.396
2	C	0.031
3	C	0.146
4	C	0.146
5	C	-0.236
6	C	-0.236
7	H	0.111
8	H	0.112
9	H	0.112
10	H	0.105
11	H	0.105

<r²>	119.914
(<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)