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	hartrees
Energy at 0K	-2554.282910
Energy at 298.15K	-2554.285292
HF Energy	-2553.592004
Nuclear repulsion energy	310.011822

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3246	3108	3.35
2	A₁	3209	3072	8.06
3	A₁	1495	1431	22.50
4	A₁	1396	1336	0.31
5	A₁	1119	1071	4.06
6	A₁	1038	993	1.40
7	A₁	773	740	22.84
8	A₁	462	442	0.15
9	A₂	856	820	0.00
10	A₂	689	659	0.00
11	A₂	524	501	0.00
12	B₁	867	830	0.02
13	B₁	707	677	142.14
14	B₁	392	376	1.92
15	B₂	3243	3105	3.36
16	B₂	3195	3059	4.66
17	B₂	1593	1525	0.02
18	B₂	1286	1231	20.41
19	B₂	1121	1073	1.17
20	B₂	844	808	0.84
21	B₂	637	610	0.51

Atom	y (Å)	z (Å)
Se1	0.000	0.916
C2	1.291	-0.444
C3	-1.291	-0.444
C4	0.722	-1.684
C5	-0.722	-1.684
H6	2.349	-0.207
H7	-2.349	-0.207
H8	1.310	-2.599
H9	-1.310	-2.599

	Se1	C2	C3	C4	C5	H6	H7	H8	H9
Se1		1.8752	1.8752	2.6981	2.6981	2.6036	2.6036	3.7507	3.7507
C2	1.8752		2.5824	1.3644	2.3642	1.0842	3.6481	2.1547	3.3777
C3	1.8752	2.5824		2.3642	1.3644	3.6481	1.0842	3.3777	2.1547
C4	2.6981	1.3644	2.3642		1.4436	2.1978	3.4078	1.0875	2.2282
C5	2.6981	2.3642	1.3644	1.4436		3.4078	2.1978	2.2282	1.0875
H6	2.6036	1.0842	3.6481	2.1978	3.4078		4.6983	2.6080	4.3716
H7	2.6036	3.6481	1.0842	3.4078	2.1978	4.6983		4.3716	2.6080
H8	3.7507	2.1547	3.3777	1.0875	2.2282	2.6080	4.3716		2.6200
H9	3.7507	3.3777	2.1547	2.2282	1.0875	4.3716	2.6080	2.6200

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Se1	C2	C4	111.818	Se1	C2	H6	120.869
Se1	C3	C5	111.818	Se1	C3	H7	120.869
C2	Se1	C3	87.031	C2	C4	C5	114.666
C2	C4	H8	122.593	C3	C5	C4	114.666
C3	C5	H9	122.593	C4	C2	H6	127.313
C4	C5	H9	122.740	C5	C3	H7	127.313
C5	C4	H8	122.740

All results from a given calculation for C₄H₄Se (selenophene)

using model chemistry: QCISD/6-311G*

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/6-311G*

States and conformations

All results from a given calculation for C₄H₄Se (selenophene)