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	hartrees
Energy at 0K	-2552.003604
Energy at 298.15K	-2552.006014
HF Energy	-2551.346162
Nuclear repulsion energy	310.494977

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3277	3120	2.72
2	A₁	3232	3078	7.63
3	A₁	1521	1449	20.21
4	A₁	1411	1344	0.50
5	A₁	1134	1080	3.23
6	A₁	1050	1000	1.16
7	A₁	768	731	21.71
8	A₁	457	435	0.37
9	A₂	898	855	0.00
10	A₂	712	678	0.00
11	A₂	540	514	0.00
12	B₁	899	856	0.23
13	B₁	729	694	115.49
14	B₁	395	377	1.44
15	B₂	3274	3118	2.24
16	B₂	3218	3064	5.11
17	B₂	1617	1540	0.00
18	B₂	1301	1239	20.82
19	B₂	1132	1078	0.24
20	B₂	843	803	0.69
21	B₂	629	599	0.18

Atom	y (Å)	z (Å)
Se1	0.000	0.914
C2	1.290	-0.442
C3	-1.290	-0.442
C4	0.720	-1.680
C5	-0.720	-1.680
H6	2.349	-0.209
H7	-2.349	-0.209
H8	1.307	-2.596
H9	-1.307	-2.596

	Se1	C2	C3	C4	C5	H6	H7	H8	H9
Se1		1.8723	1.8723	2.6921	2.6921	2.6040	2.6040	3.7455	3.7455
C2	1.8723		2.5809	1.3626	2.3609	1.0841	3.6471	2.1537	3.3738
C3	1.8723	2.5809		2.3609	1.3626	3.6471	1.0841	3.3738	2.1537
C4	2.6921	1.3626	2.3609		1.4403	2.1947	3.4035	1.0878	2.2242
C5	2.6921	2.3609	1.3626	1.4403		3.4035	2.1947	2.2242	1.0878
H6	2.6040	1.0841	3.6471	2.1947	3.4035		4.6984	2.6046	4.3660
H7	2.6040	3.6471	1.0841	3.4035	2.1947	4.6984		4.3660	2.6046
H8	3.7455	2.1537	3.3738	1.0878	2.2242	2.6046	4.3660		2.6132
H9	3.7455	3.3738	2.1537	2.2242	1.0878	4.3660	2.6046	2.6132

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Se1	C2	C4	111.688	Se1	C2	H6	121.150
Se1	C3	C5	111.688	Se1	C3	H7	121.150
C2	Se1	C3	87.140	C2	C4	C5	114.742
C2	C4	H8	122.633	C3	C5	C4	114.742
C3	C5	H9	122.633	C4	C2	H6	127.162
C4	C5	H9	122.625	C5	C3	H7	127.162
C5	C4	H8	122.625

All results from a given calculation for C₄H₄Se (selenophene)

using model chemistry: QCISD/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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All results from a given calculation for C4H4Se (selenophene)

using model chemistry: QCISD/6-31G*

States and conformations

All results from a given calculation for C₄H₄Se (selenophene)