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	hartrees
Energy at 0K	-248.251365
Energy at 298.15K	-248.257521
Nuclear repulsion energy	207.618051

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3224	3086	6.29
2	A₁	3198	3061	5.46
3	A₁	3172	3036	6.55
4	A₁	1656	1585	24.09
5	A₁	1528	1462	3.79
6	A₁	1252	1198	3.27
7	A₁	1103	1056	4.35
8	A₁	1059	1014	3.36
9	A₁	1019	975	8.01
10	A₁	605	579	4.73
11	A₂	1019	976	0.00
12	A₂	906	867	0.00
13	A₂	381	365	0.00
14	B₁	1030	986	0.04
15	B₁	971	930	0.00
16	B₁	773	740	6.47
17	B₁	724	693	62.12
18	B₁	416	398	3.37
19	B₂	3216	3078	23.81
20	B₂	3170	3034	30.64
21	B₂	1653	1582	10.99
22	B₂	1485	1422	27.39
23	B₂	1387	1328	0.02
24	B₂	1318	1261	0.00
25	B₂	1171	1121	2.27
26	B₂	1090	1043	0.05
27	B₂	663	635	0.28

Atom	y (Å)	z (Å)
N1	0.000	1.407
C2	0.000	-1.373
C3	1.132	0.717
C4	-1.132	0.717
C5	1.188	-0.667
C6	-1.188	-0.667
H7	0.000	-2.454
H8	2.046	1.298
H9	-2.046	1.298
H10	2.142	-1.173
H11	-2.142	-1.173

	N1	C2	C3	C4	C5	C6	H7	H8	H9	H10	H11
N1		2.7804	1.3261	1.3261	2.3901	2.3901	3.8609	2.0485	2.0485	3.3532	3.3532
C2	2.7804		2.3769	2.3769	1.3822	1.3822	1.0805	3.3650	3.3650	2.1509	2.1509
C3	1.3261	2.3769		2.2644	1.3846	2.7013	3.3665	1.0830	3.2306	2.1424	3.7800
C4	1.3261	2.3769	2.2644		2.7013	1.3846	3.3665	3.2306	1.0830	3.7800	2.1424
C5	2.3901	1.3822	1.3846	2.7013		2.3759	2.1458	2.1444	3.7840	1.0796	3.3678
C6	2.3901	1.3822	2.7013	1.3846	2.3759		2.1458	3.7840	2.1444	3.3678	1.0796
H7	3.8609	1.0805	3.3665	3.3665	2.1458	2.1458		4.2737	4.2737	2.4952	2.4952
H8	2.0485	3.3650	1.0830	3.2306	2.1444	3.7840	4.2737		4.0912	2.4736	4.8622
H9	2.0485	3.3650	3.2306	1.0830	3.7840	2.1444	4.2737	4.0912		4.8622	2.4736
H10	3.3532	2.1509	2.1424	3.7800	1.0796	3.3678	2.4952	2.4736	4.8622		4.2830
H11	3.3532	2.1509	3.7800	2.1424	3.3678	1.0796	2.4952	4.8622	2.4736	4.2830

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C3	C5	123.685	N1	C3	H8	116.122
N1	C4	C6	123.685	N1	C4	H9	116.122
C2	C5	C3	118.432	C2	C5	H10	121.294
C2	C6	C4	118.432	C2	C6	H11	121.294
C3	N1	C4	117.245	C3	C5	H10	120.274
C4	C6	H11	120.274	C5	C2	C6	118.521
C5	C2	H7	120.740	C5	C3	H8	120.193
C6	C2	H7	120.740	C6	C4	H9	120.193

All results from a given calculation for C₅H₅N (Pyridine)

using model chemistry: B1B95/cc-pVTZ

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	-0.173
2	C	-0.108
3	C	-0.073
4	C	-0.073
5	C	-0.137
6	C	-0.137
7	H	0.135
8	H	0.138
9	H	0.138
10	H	0.145
11	H	0.145

<r²>	119.993
(<r²>)^1/2	10.954

All results from a given calculation for C5H5N (Pyridine)

using model chemistry: B1B95/cc-pVTZ

States and conformations

All results from a given calculation for C₅H₅N (Pyridine)