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	hartrees
Energy at 0K	-248.236983
Energy at 298.15K	-248.243099
Nuclear repulsion energy	206.530185

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3205	3086	9.60
2	A₁	3180	3061	8.06
3	A₁	3158	3040	9.28
4	A₁	1645	1584	25.16
5	A₁	1522	1465	3.75
6	A₁	1249	1202	3.63
7	A₁	1099	1058	5.72
8	A₁	1051	1012	4.74
9	A₁	1015	977	7.72
10	A₁	613	590	4.11
11	A₂	998	961	0.00
12	A₂	895	861	0.00
13	A₂	381	367	0.00
14	B₁	1009	971	0.00
15	B₁	955	920	0.02
16	B₁	765	736	7.91
17	B₁	716	690	74.02
18	B₁	418	402	3.32
19	B₂	3196	3077	36.05
20	B₂	3156	3038	34.65
21	B₂	1640	1579	9.57
22	B₂	1480	1425	28.94
23	B₂	1387	1335	0.04
24	B₂	1314	1265	0.07
25	B₂	1174	1130	2.15
26	B₂	1083	1042	0.00
27	B₂	669	644	0.38

Atom	y (Å)	z (Å)
N1	0.000	1.415
C2	0.000	-1.381
C3	1.137	0.720
C4	-1.137	0.720
C5	1.194	-0.671
C6	-1.194	-0.671
H7	0.000	-2.467
H8	2.053	1.308
H9	-2.053	1.308
H10	2.153	-1.180
H11	-2.153	-1.180

	N1	C2	C3	C4	C5	C6	H7	H8	H9	H10	H11
N1		2.7961	1.3331	1.3331	2.4036	2.4036	3.8823	2.0561	2.0561	3.3721	3.3721
C2	2.7961		2.3890	2.3890	1.3897	1.3897	1.0862	3.3833	3.3833	2.1624	2.1624
C3	1.3331	2.3890		2.2748	1.3918	2.7150	3.3839	1.0885	3.2445	2.1544	3.7996
C4	1.3331	2.3890	2.2748		2.7150	1.3918	3.3839	3.2445	1.0885	3.7996	2.1544
C5	2.4036	1.3897	1.3918	2.7150		2.3890	2.1573	2.1571	3.8031	1.0855	3.3861
C6	2.4036	1.3897	2.7150	1.3918	2.3890		2.1573	3.8031	2.1571	3.3861	1.0855
H7	3.8823	1.0862	3.3839	3.3839	2.1573	2.1573		4.2975	4.2975	2.5084	2.5084
H8	2.0561	3.3833	1.0885	3.2445	2.1571	3.8031	4.2975		4.1066	2.4901	4.8872
H9	2.0561	3.3833	3.2445	1.0885	3.8031	2.1571	4.2975	4.1066		4.8872	2.4901
H10	3.3721	2.1624	2.1544	3.7996	1.0855	3.3861	2.5084	2.4901	4.8872		4.3061
H11	3.3721	2.1624	3.7996	2.1544	3.3861	1.0855	2.5084	4.8872	2.4901	4.3061

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C3	C5	123.785	N1	C3	H8	115.858
N1	C4	C6	123.785	N1	C4	H9	115.858
C2	C5	C3	118.388	C2	C5	H10	121.275
C2	C6	C4	118.388	C2	C6	H11	121.275
C3	N1	C4	117.129	C3	C5	H10	120.337
C4	C6	H11	120.337	C5	C2	C6	118.525
C5	C2	H7	120.738	C5	C3	H8	120.357
C6	C2	H7	120.738	C6	C4	H9	120.357

All results from a given calculation for C₅H₅N (Pyridine)

using model chemistry: B3PW91/6-311G*

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	-0.311
2	C	-0.099
3	C	-0.025
4	C	-0.025
5	C	-0.299
6	C	-0.299
7	H	0.213
8	H	0.215
9	H	0.215
10	H	0.207
11	H	0.207

<r²>	121.027
(<r²>)^1/2	11.001

All results from a given calculation for C5H5N (Pyridine)

using model chemistry: B3PW91/6-311G*

States and conformations

All results from a given calculation for C₅H₅N (Pyridine)