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	hartrees
Energy at 0K	-248.384970
Energy at 298.15K	-248.391089
HF Energy	-248.384970
Nuclear repulsion energy	206.438642

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3188	3087	8.98
2	A₁	3164	3064	6.35
3	A₁	3143	3043	7.80
4	A₁	1624	1573	22.86
5	A₁	1515	1467	2.85
6	A₁	1242	1202	3.14
7	A₁	1093	1058	3.24
8	A₁	1046	1013	6.23
9	A₁	1005	974	5.92
10	A₁	602	583	4.61
11	A₂	1006	974	0.00
12	A₂	900	872	0.00
13	A₂	375	363	0.00
14	B₁	1019	986	0.01
15	B₁	962	931	0.01
16	B₁	764	740	7.14
17	B₁	718	696	60.03
18	B₁	413	400	3.28
19	B₂	3179	3078	33.26
20	B₂	3140	3041	29.36
21	B₂	1616	1565	8.23
22	B₂	1472	1425	26.71
23	B₂	1386	1342	0.15
24	B₂	1295	1254	0.11
25	B₂	1170	1133	2.04
26	B₂	1076	1042	0.11
27	B₂	659	638	0.25

Atom	y (Å)	z (Å)
N1	0.000	1.413
C2	0.000	-1.381
C3	1.141	0.721
C4	-1.141	0.721
C5	1.196	-0.671
C6	-1.196	-0.671
H7	0.000	-2.465
H8	2.057	1.306
H9	-2.057	1.306
H10	2.152	-1.180
H11	-2.152	-1.180

	N1	C2	C3	C4	C5	C6	H7	H8	H9	H10	H11
N1		2.7942	1.3344	1.3344	2.4030	2.4030	3.8782	2.0596	2.0596	3.3701	3.3701
C2	2.7942		2.3916	2.3916	1.3907	1.3907	1.0840	3.3833	3.3833	2.1611	2.1611
C3	1.3344	2.3916		2.2816	1.3931	2.7198	3.3840	1.0866	3.2506	2.1536	3.8022
C4	1.3344	2.3916	2.2816		2.7198	1.3931	3.3840	3.2506	1.0866	3.8022	2.1536
C5	2.4030	1.3907	1.3931	2.7198		2.3917	2.1560	2.1557	3.8060	1.0832	3.3862
C6	2.4030	1.3907	2.7198	1.3931	2.3917		2.1560	3.8060	2.1557	3.3862	1.0832
H7	3.8782	1.0840	3.3840	3.3840	2.1560	2.1560		4.2949	4.2949	2.5060	2.5060
H8	2.0596	3.3833	1.0866	3.2506	2.1557	3.8060	4.2949		4.1136	2.4877	4.8879
H9	2.0596	3.3833	3.2506	1.0866	3.8060	2.1557	4.2949	4.1136		4.8879	2.4877
H10	3.3701	2.1611	2.1536	3.8022	1.0832	3.3862	2.5060	2.4877	4.8879		4.3035
H11	3.3701	2.1611	3.8022	2.1536	3.3862	1.0832	2.5060	4.8879	2.4877	4.3035

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C3	C5	123.517	N1	C3	H8	116.213
N1	C4	C6	123.517	N1	C4	H9	116.213
C2	C5	C3	118.431	C2	C5	H10	121.243
C2	C6	C4	118.431	C2	C6	H11	121.243
C3	N1	C4	117.497	C3	C5	H10	120.326
C4	C6	H11	120.326	C5	C2	C6	118.606
C5	C2	H7	120.697	C5	C3	H8	120.270
C6	C2	H7	120.697	C6	C4	H9	120.270

All results from a given calculation for C₅H₅N (Pyridine)

using model chemistry: TPSSh/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	-0.186
2	C	-0.069
3	C	-0.017
4	C	-0.017
5	C	-0.108
6	C	-0.108
7	H	0.097
8	H	0.101
9	H	0.101
10	H	0.102
11	H	0.102

<r²>	121.191
(<r²>)^1/2	11.009

All results from a given calculation for C5H5N (Pyridine)

using model chemistry: TPSSh/cc-pVTZ

States and conformations

All results from a given calculation for C₅H₅N (Pyridine)