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	hartrees
Energy at 0K	-41.070317
Energy at 298.15K	-41.076436
Nuclear repulsion energy	102.452023

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3218	3117	7.09
2	A₁	3191	3090	24.94
3	A₁	3172	3072	0.73
4	A₁	1608	1557	18.97
5	A₁	1485	1438	8.18
6	A₁	1237	1198	2.54
7	A₁	1081	1047	6.61
8	A₁	1030	998	5.10
9	A₁	979	948	3.21
10	A₁	604	585	2.32
11	A₂	1030	997	0.00
12	A₂	931	902	0.00
13	A₂	388	376	0.00
14	B₁	1059	1025	0.02
15	B₁	986	955	0.28
16	B₁	774	750	80.96
17	B₁	738	715	48.33
18	B₁	418	405	4.73
19	B₂	3206	3104	66.08
20	B₂	3177	3077	19.08
21	B₂	1604	1554	4.65
22	B₂	1455	1409	33.56
23	B₂	1377	1334	0.18
24	B₂	1296	1255	0.10
25	B₂	1177	1140	1.18
26	B₂	1068	1035	0.17
27	B₂	654	633	1.29

Atom	y (Å)	z (Å)
N1	0.000	1.457
C2	0.000	-1.404
C3	1.168	0.746
C4	-1.168	0.746
C5	1.224	-0.679
C6	-1.224	-0.679
H7	0.000	-2.498
H8	2.087	1.340
H9	-2.087	1.340
H10	2.189	-1.191
H11	-2.189	-1.191

	N1	C2	C3	C4	C5	C6	H7	H8	H9	H10	H11
N1		2.8612	1.3677	1.3677	2.4621	2.4621	3.9546	2.0907	2.0907	3.4355	3.4355
C2	2.8612		2.4469	2.4469	1.4228	1.4228	1.0934	3.4481	3.4481	2.1991	2.1991
C3	1.3677	2.4469		2.3365	1.4260	2.7846	3.4473	1.0947	3.3095	2.1892	3.8757
C4	1.3677	2.4469	2.3365		2.7846	1.4260	3.4473	3.3095	1.0947	3.8757	2.1892
C5	2.4621	1.4228	1.4260	2.7846		2.4484	2.1921	2.1962	3.8788	1.0920	3.4511
C6	2.4621	1.4228	2.7846	1.4260	2.4484		2.1921	3.8788	2.1962	3.4511	1.0920
H7	3.9546	1.0934	3.4473	3.4473	2.1921	2.1921		4.3688	4.3688	2.5491	2.5491
H8	2.0907	3.4481	1.0947	3.3095	2.1962	3.8788	4.3688		4.1748	2.5333	4.9692
H9	2.0907	3.4481	3.3095	1.0947	3.8788	2.1962	4.3688	4.1748		4.9692	2.5333
H10	3.4355	2.1991	2.1892	3.8757	1.0920	3.4511	2.5491	2.5333	4.9692		4.3776
H11	3.4355	2.1991	3.8757	2.1892	3.4511	1.0920	2.5491	4.9692	2.5333	4.3776

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C3	C5	123.581	N1	C3	H8	115.775
N1	C4	C6	123.581	N1	C4	H9	115.775
C2	C5	C3	118.388	C2	C5	H10	121.412
C2	C6	C4	118.388	C2	C6	H11	121.412
C3	N1	C4	117.335	C3	C5	H10	120.200
C4	C6	H11	120.200	C5	C2	C6	118.727
C5	C2	H7	120.636	C5	C3	H8	120.645
C6	C2	H7	120.636	C6	C4	H9	120.645

All results from a given calculation for C₅H₅N (Pyridine)

using model chemistry: B3LYP/CEP-31G

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	-0.494
3	C	-0.603
4	C	-0.603
5	C	0.025
6	C	0.025
7	H	0.279
8	H	0.236
9	H	0.236
10	H	0.293
11	H	0.293

<r²>	102.064
(<r²>)^1/2	10.103

All results from a given calculation for C5H5N (Pyridine)

using model chemistry: B3LYP/CEP-31G

States and conformations

All results from a given calculation for C₅H₅N (Pyridine)