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	hartrees
Energy at 0K	-2542.126180
Energy at 298.15K	-2542.128639
HF Energy	-2541.605550
Nuclear repulsion energy	307.599885

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3278	3278	3.66
2	A₁	3231	3231	3.56
3	A₁	1466	1466	22.05
4	A₁	1415	1415	0.35
5	A₁	1169	1169	4.16
6	A₁	1011	1011	0.52
7	A₁	777	777	25.09
8	A₁	472	472	0.47
9	A₂	887	887	0.00
10	A₂	717	717	0.00
11	A₂	546	546	0.00
12	B₁	901	901	0.25
13	B₁	719	719	135.59
14	B₁	399	399	1.26
15	B₂	3274	3274	2.00
16	B₂	3215	3215	3.46
17	B₂	1584	1584	0.01
18	B₂	1334	1334	24.87
19	B₂	1162	1162	0.68
20	B₂	877	877	0.23
21	B₂	635	635	0.03

Atom	y (Å)	z (Å)
Se1	0.000	0.926
C2	1.300	-0.456
C3	-1.300	-0.456
C4	0.728	-1.696
C5	-0.728	-1.696
H6	2.355	-0.215
H7	-2.355	-0.215
H8	1.310	-2.612
H9	-1.310	-2.612

	Se1	C2	C3	C4	C5	H6	H7	H8	H9
Se1		1.8974	1.8974	2.7207	2.7207	2.6165	2.6165	3.7720	3.7720
C2	1.8974		2.6008	1.3654	2.3775	1.0813	3.6629	2.1557	3.3851
C3	1.8974	2.6008		2.3775	1.3654	3.6629	1.0813	3.3851	2.1557
C4	2.7207	1.3654	2.3775		1.4566	2.1991	3.4199	1.0848	2.2343
C5	2.7207	2.3775	1.3654	1.4566		3.4199	2.1991	2.2343	1.0848
H6	2.6165	1.0813	3.6629	2.1991	3.4199		4.7091	2.6142	4.3782
H7	2.6165	3.6629	1.0813	3.4199	2.1991	4.7091		4.3782	2.6142
H8	3.7720	2.1557	3.3851	1.0848	2.2343	2.6142	4.3782		2.6193
H9	3.7720	3.3851	2.1557	2.2343	1.0848	4.3782	2.6142	2.6193

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Se1	C2	C4	111.965	Se1	C2	H6	120.405
Se1	C3	C5	111.965	Se1	C3	H7	120.405
C2	Se1	C3	86.528	C2	C4	C5	114.771
C2	C4	H8	122.824	C3	C5	C4	114.771
C3	C5	H9	122.824	C4	C2	H6	127.630
C4	C5	H9	122.405	C5	C3	H7	127.630
C5	C4	H8	122.405

All results from a given calculation for (selenophene)

using model chemistry: MP3=FULL/3-21G*

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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