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	hartrees
Energy at 0K	-248.026911
Energy at 298.15K	-248.032897
Nuclear repulsion energy	205.166844

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3125	3097	9.10
2	A₁	3102	3074	3.88
3	A₁	3074	3046	8.35
4	A₁	1580	1565	20.95
5	A₁	1462	1449	3.09
6	A₁	1207	1196	3.15
7	A₁	1064	1055	5.24
8	A₁	1021	1012	4.39
9	A₁	980	971	7.46
10	A₁	594	588	3.94
11	A₂	961	952	0.00
12	A₂	868	860	0.00
13	A₂	358	355	0.00
14	B₁	975	966	0.01
15	B₁	921	912	0.05
16	B₁	739	733	4.77
17	B₁	695	689	65.73
18	B₁	400	397	3.08
19	B₂	3116	3088	29.24
20	B₂	3071	3043	32.65
21	B₂	1576	1562	7.99
22	B₂	1426	1413	24.27
23	B₂	1334	1322	0.01
24	B₂	1295	1283	0.52
25	B₂	1138	1127	1.63
26	B₂	1049	1039	0.00
27	B₂	648	642	0.35

Atom	y (Å)	z (Å)
N1	0.000	1.428
C2	0.000	-1.390
C3	1.145	0.724
C4	-1.145	0.724
C5	1.201	-0.675
C6	-1.201	-0.675
H7	0.000	-2.483
H8	2.068	1.313
H9	-2.068	1.313
H10	2.166	-1.188
H11	-2.166	-1.188

	N1	C2	C3	C4	C5	C6	H7	H8	H9	H10	H11
N1		2.8175	1.3439	1.3439	2.4219	2.4219	3.9103	2.0715	2.0715	3.3963	3.3963
C2	2.8175		2.4036	2.4036	1.3979	1.3979	1.0929	3.4039	3.4039	2.1753	2.1753
C3	1.3439	2.4036		2.2895	1.4001	2.7316	3.4046	1.0959	3.2668	2.1677	3.8232
C4	1.3439	2.4036	2.2895		2.7316	1.4001	3.4046	3.2668	1.0959	3.8232	2.1677
C5	2.4219	1.3979	1.4001	2.7316		2.4029	2.1704	2.1695	3.8271	1.0925	3.4063
C6	2.4219	1.3979	2.7316	1.4001	2.4029		2.1704	3.8271	2.1695	3.4063	1.0925
H7	3.9103	1.0929	3.4046	3.4046	2.1704	2.1704		4.3231	4.3231	2.5232	2.5232
H8	2.0715	3.4039	1.0959	3.2668	2.1695	3.8271	4.3231		4.1367	2.5038	4.9182
H9	2.0715	3.4039	3.2668	1.0959	3.8271	2.1695	4.3231	4.1367		4.9182	2.5038
H10	3.3963	2.1753	2.1677	3.8232	1.0925	3.4063	2.5232	2.5038	4.9182		4.3319
H11	3.3963	2.1753	3.8232	2.1677	3.4063	1.0925	2.5232	4.9182	2.5038	4.3319

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C3	C5	123.910	N1	C3	H8	115.847
N1	C4	C6	123.910	N1	C4	H9	115.847
C2	C5	C3	118.422	C2	C5	H10	121.242
C2	C6	C4	118.422	C2	C6	H11	121.242
C3	N1	C4	116.823	C3	C5	H10	120.335
C4	C6	H11	120.335	C5	C2	C6	118.513
C5	C2	H7	120.744	C5	C3	H8	120.243
C6	C2	H7	120.744	C6	C4	H9	120.243

All results from a given calculation for C₅H₅N (Pyridine)

using model chemistry: PBEPBE/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	-0.282
2	C	-0.006
3	C	0.054
4	C	0.054
5	C	-0.183
6	C	-0.183
7	H	0.107
8	H	0.116
9	H	0.116
10	H	0.102
11	H	0.102

<r²>	122.512
(<r²>)^1/2	11.069

All results from a given calculation for C5H5N (Pyridine)

using model chemistry: PBEPBE/6-311G**

States and conformations

All results from a given calculation for C₅H₅N (Pyridine)