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	hartrees
Energy at 0K	-248.239812
Energy at 298.15K	-248.245954
Nuclear repulsion energy	203.850153

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3239	3113	7.37
2	A₁	3208	3084	16.35
3	A₁	3196	3072	0.21
4	A₁	1612	1550	16.92
5	A₁	1499	1441	8.86
6	A₁	1249	1201	2.40
7	A₁	1090	1048	5.11
8	A₁	1041	1001	7.00
9	A₁	989	951	3.83
10	A₁	615	592	2.88
11	A₂	1019	979	0.00
12	A₂	921	885	0.00
13	A₂	388	373	0.00
14	B₁	1050	1009	0.04
15	B₁	968	930	0.26
16	B₁	779	749	28.23
17	B₁	737	709	85.86
18	B₁	428	412	4.03
19	B₂	3225	3101	50.94
20	B₂	3198	3074	15.22
21	B₂	1616	1553	5.48
22	B₂	1469	1412	32.11
23	B₂	1394	1341	0.00
24	B₂	1308	1258	0.04
25	B₂	1195	1148	1.15
26	B₂	1077	1035	0.24
27	B₂	669	643	0.71

Atom	y (Å)	z (Å)
N1	0.000	1.430
C2	0.000	-1.397
C3	1.163	0.729
C4	-1.163	0.729
C5	1.212	-0.679
C6	-1.212	-0.679
H7	0.000	-2.484
H8	2.076	1.320
H9	-2.076	1.320
H10	2.170	-1.192
H11	-2.170	-1.192

	N1	C2	C3	C4	C5	C6	H7	H8	H9	H10	H11
N1		2.8269	1.3578	1.3578	2.4331	2.4331	3.9144	2.0788	2.0788	3.4037	3.4037
C2	2.8269		2.4228	2.4228	1.4084	1.4084	1.0875	3.4189	3.4189	2.1801	2.1801
C3	1.3578	2.4228		2.3252	1.4092	2.7610	3.4170	1.0878	3.2919	2.1689	3.8468
C4	1.3578	2.4228	2.3252		2.7610	1.4092	3.4170	3.2919	1.0878	3.8468	2.1689
C5	2.4331	1.4084	1.4092	2.7610		2.4243	2.1740	2.1779	3.8481	1.0866	3.4211
C6	2.4331	1.4084	2.7610	1.4092	2.4243		2.1740	3.8481	2.1779	3.4211	1.0866
H7	3.9144	1.0875	3.4170	3.4170	2.1740	2.1740		4.3336	4.3336	2.5262	2.5262
H8	2.0788	3.4189	1.0878	3.2919	2.1779	3.8481	4.3336		4.1518	2.5132	4.9334
H9	2.0788	3.4189	3.2919	1.0878	3.8481	2.1779	4.3336	4.1518		4.9334	2.5132
H10	3.4037	2.1801	2.1689	3.8468	1.0866	3.4211	2.5262	2.5132	4.9334		4.3409
H11	3.4037	2.1801	3.8468	2.1689	3.4211	1.0866	2.5262	4.9334	2.5132	4.3409

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C3	C5	123.114	N1	C3	H8	115.996
N1	C4	C6	123.114	N1	C4	H9	115.996
C2	C5	C3	118.600	C2	C5	H10	121.264
C2	C6	C4	118.600	C2	C6	H11	121.264
C3	N1	C4	117.800	C3	C5	H10	120.136
C4	C6	H11	120.136	C5	C2	C6	118.772
C5	C2	H7	120.614	C5	C3	H8	120.890
C6	C2	H7	120.614	C6	C4	H9	120.890

All results from a given calculation for C₅H₅N (Pyridine)

using model chemistry: B3LYP/SDD

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	-0.022
2	C	-0.170
3	C	-0.297
4	C	-0.297
5	C	-0.183
6	C	-0.183
7	H	0.232
8	H	0.234
9	H	0.234
10	H	0.226
11	H	0.226

<r²>	123.867
(<r²>)^1/2	11.130

All results from a given calculation for C5H5N (Pyridine)

using model chemistry: B3LYP/SDD

States and conformations

All results from a given calculation for C₅H₅N (Pyridine)