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	hartrees
Energy at 0K	-248.118350
Energy at 298.15K	-248.124327
HF Energy	-248.118350
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3151	3090	14.74
2	A₁	3128	3067	8.56
3	A₁	3106	3045	16.25
4	A₁	1599	1568	20.54
5	A₁	1494	1465	2.10
6	A₁	1228	1204	2.66
7	A₁	1078	1057	2.78
8	A₁	1032	1012	4.63
9	A₁	986	967	6.83
10	A₁	602	590	3.97
11	A₂	955	936	0.00
12	A₂	869	852	0.00
13	A₂	366	358	0.00
14	B₁	972	953	0.01
15	B₁	922	904	0.00
16	B₁	739	724	4.84
17	B₁	695	681	48.02
18	B₁	406	398	3.06
19	B₂	3141	3079	50.20
20	B₂	3104	3043	39.31
21	B₂	1594	1562	7.66
22	B₂	1453	1424	23.50
23	B₂	1367	1340	0.00
24	B₂	1302	1277	0.62
25	B₂	1161	1138	1.41
26	B₂	1062	1041	0.24
27	B₂	657	644	0.30

Atom	y (Å)	z (Å)
N1	0.000	1.430
C2	0.000	-1.392
C3	1.146	0.725
C4	-1.146	0.725
C5	1.203	-0.676
C6	-1.203	-0.676
H7	0.000	-2.483
H8	2.067	1.314
H9	-2.067	1.314
H10	2.166	-1.189
H11	-2.166	-1.189

	N1	C2	C3	C4	C5	C6	H7	H8	H9	H10	H11
N1		2.8220	1.3459	1.3459	2.4255	2.4255	3.9131	2.0707	2.0707	3.3984	3.3984
C2	2.8220		2.4073	2.4073	1.4002	1.4002	1.0911	3.4059	3.4059	2.1759	2.1759
C3	1.3459	2.4073		2.2928	1.4020	2.7356	3.4067	1.0938	3.2675	2.1681	3.8255
C4	1.3459	2.4073	2.2928		2.7356	1.4020	3.4067	3.2675	1.0938	3.8255	2.1681
C5	2.4255	1.4002	1.4020	2.7356		2.4066	2.1711	2.1701	3.8289	1.0909	3.4084
C6	2.4255	1.4002	2.7356	1.4020	2.4066		2.1711	3.8289	2.1701	3.4084	1.0909
H7	3.9131	1.0911	3.4067	3.4067	2.1711	2.1711		4.3241	4.3241	2.5238	2.5238
H8	2.0707	3.4059	1.0938	3.2675	2.1701	3.8289	4.3241		4.1350	2.5050	4.9184
H9	2.0707	3.4059	3.2675	1.0938	3.8289	2.1701	4.3241	4.1350		4.9184	2.5050
H10	3.3984	2.1759	2.1681	3.8255	1.0909	3.4084	2.5238	2.5050	4.9184		4.3327
H11	3.3984	2.1759	3.8255	2.1681	3.4084	1.0909	2.5238	4.9184	2.5050	4.3327

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C3	C5	123.922	N1	C3	H8	115.772
N1	C4	C6	123.922	N1	C4	H9	115.772
C2	C5	C3	118.429	C2	C5	H10	121.231
C2	C6	C4	118.429	C2	C6	H11	121.231
C3	N1	C4	116.808	C3	C5	H10	120.340
C4	C6	H11	120.340	C5	C2	C6	118.490
C5	C2	H7	120.755	C5	C3	H8	120.306
C6	C2	H7	120.755	C6	C4	H9	120.306

All results from a given calculation for C₅H₅N (Pyridine)

using model chemistry: B97D3/6-31G*

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	-0.396
2	C	-0.110
3	C	0.031
4	C	0.031
5	C	-0.140
6	C	-0.140
7	H	0.148
8	H	0.146
9	H	0.146
10	H	0.142
11	H	0.142

<r²>	122.343
(<r²>)^1/2	11.061

All results from a given calculation for C5H5N (Pyridine)

using model chemistry: B97D3/6-31G*

States and conformations

All results from a given calculation for C₅H₅N (Pyridine)