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	hartrees
Energy at 0K	-247.975116
Energy at 298.15K	-247.981078
Nuclear repulsion energy	204.777442

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3143	3100	8.16
2	A₁	3120	3077	4.59
3	A₁	3092	3049	10.92
4	A₁	1592	1570	19.44
5	A₁	1475	1454	2.72
6	A₁	1214	1198	2.52
7	A₁	1069	1054	3.98
8	A₁	1024	1010	2.85
9	A₁	979	966	7.64
10	A₁	591	583	3.77
11	A₂	954	941	0.00
12	A₂	866	855	0.00
13	A₂	360	355	0.00
14	B₁	970	957	0.03
15	B₁	920	907	0.00
16	B₁	737	727	4.58
17	B₁	694	685	46.80
18	B₁	401	395	3.00
19	B₂	3135	3092	27.48
20	B₂	3089	3047	33.05
21	B₂	1590	1568	7.88
22	B₂	1436	1416	22.29
23	B₂	1342	1324	0.08
24	B₂	1316	1298	0.59
25	B₂	1143	1127	1.22
26	B₂	1055	1041	0.07
27	B₂	648	639	0.35

Atom	y (Å)	z (Å)
N1	0.000	1.432
C2	0.000	-1.393
C3	1.146	0.725
C4	-1.146	0.725
C5	1.204	-0.677
C6	-1.204	-0.677
H7	0.000	-2.487
H8	2.072	1.314
H9	-2.072	1.314
H10	2.170	-1.190
H11	-2.170	-1.190

	N1	C2	C3	C4	C5	C6	H7	H8	H9	H10	H11
N1		2.8246	1.3469	1.3469	2.4280	2.4280	3.9190	2.0754	2.0754	3.4033	3.4033
C2	2.8246		2.4078	2.4078	1.4006	1.4006	1.0944	3.4089	3.4089	2.1790	2.1790
C3	1.3469	2.4078		2.2925	1.4026	2.7362	3.4102	1.0975	3.2719	2.1712	3.8290
C4	1.3469	2.4078	2.2925		2.7362	1.4026	3.4102	3.2719	1.0975	3.8290	2.1712
C5	2.4280	1.4006	1.4026	2.7362		2.4075	2.1740	2.1720	3.8333	1.0938	3.4121
C6	2.4280	1.4006	2.7362	1.4026	2.4075		2.1740	3.8333	2.1720	3.4121	1.0938
H7	3.9190	1.0944	3.4102	3.4102	2.1740	2.1740		4.3293	4.3293	2.5277	2.5277
H8	2.0754	3.4089	1.0975	3.2719	2.1720	3.8333	4.3293		4.1441	2.5062	4.9258
H9	2.0754	3.4089	3.2719	1.0975	3.8333	2.1720	4.3293	4.1441		4.9258	2.5062
H10	3.4033	2.1790	2.1712	3.8290	1.0938	3.4121	2.5277	2.5062	4.9258		4.3391
H11	3.4033	2.1790	3.8290	2.1712	3.4121	1.0938	2.5277	4.9258	2.5062	4.3391

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C3	C5	124.020	N1	C3	H8	115.843
N1	C4	C6	124.020	N1	C4	H9	115.843
C2	C5	C3	118.397	C2	C5	H10	121.260
C2	C6	C4	118.397	C2	C6	H11	121.260
C3	N1	C4	116.655	C3	C5	H10	120.343
C4	C6	H11	120.343	C5	C2	C6	118.510
C5	C2	H7	120.745	C5	C3	H8	120.137
C6	C2	H7	120.745	C6	C4	H9	120.137

All results from a given calculation for C₅H₅N (Pyridine)

using model chemistry: PBEPBE/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	-0.402
2	C	-0.073
3	C	0.068
4	C	0.068
5	C	-0.101
6	C	-0.101
7	H	0.111
8	H	0.111
9	H	0.111
10	H	0.104
11	H	0.104

<r²>	122.548
(<r²>)^1/2	11.070

All results from a given calculation for C5H5N (Pyridine)

using model chemistry: PBEPBE/6-31G**

States and conformations

All results from a given calculation for C₅H₅N (Pyridine)