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	hartrees
Energy at 0K	-2552.034534
Energy at 298.15K	-2552.036984
HF Energy	-2551.354638
Nuclear repulsion energy	310.991493

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3328	3103	2.75
2	A₁	3283	3062	8.03
3	A₁	1526	1423	20.38
4	A₁	1423	1328	1.08
5	A₁	1138	1062	3.36
6	A₁	1055	984	0.73
7	A₁	773	721	21.58
8	A₁	459	428	0.31
9	A₂	913	851	0.00
10	A₂	717	669	0.00
11	A₂	540	503	0.00
12	B₁	912	850	0.27
13	B₁	734	685	104.22
14	B₁	397	370	1.48
15	B₂	3325	3101	2.56
16	B₂	3269	3049	5.18
17	B₂	1625	1516	0.05
18	B₂	1313	1225	19.13
19	B₂	1139	1062	0.10
20	B₂	846	789	0.79
21	B₂	634	591	0.17

Atom	y (Å)	z (Å)
Se1	0.000	0.913
C2	1.288	-0.441
C3	-1.288	-0.441
C4	0.720	-1.679
C5	-0.720	-1.679
H6	2.340	-0.210
H7	-2.340	-0.210
H8	1.304	-2.589
H9	-1.304	-2.589

	Se1	C2	C3	C4	C5	H6	H7	H8	H9
Se1		1.8691	1.8691	2.6900	2.6900	2.5958	2.5958	3.7366	3.7366
C2	1.8691		2.5761	1.3619	2.3584	1.0775	3.6357	2.1475	3.3657
C3	1.8691	2.5761		2.3584	1.3619	3.6357	1.0775	3.3657	2.1475
C4	2.6900	1.3619	2.3584		1.4390	2.1875	3.3942	1.0812	2.2183
C5	2.6900	2.3584	1.3619	1.4390		3.3942	2.1875	2.2183	1.0812
H6	2.5958	1.0775	3.6357	2.1875	3.3942		4.6807	2.5950	4.3517
H7	2.5958	3.6357	1.0775	3.3942	2.1875	4.6807		4.3517	2.5950
H8	3.7366	2.1475	3.3657	1.0812	2.2183	2.5950	4.3517		2.6072
H9	3.7366	3.3657	2.1475	2.2183	1.0812	4.3517	2.5950	2.6072

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Se1	C2	C4	111.767	Se1	C2	H6	121.158
Se1	C3	C5	111.767	Se1	C3	H7	121.158
C2	Se1	C3	87.121	C2	C4	C5	114.672
C2	C4	H8	122.628	C3	C5	C4	114.672
C3	C5	H9	122.628	C4	C2	H6	127.075
C4	C5	H9	122.700	C5	C3	H7	127.075
C5	C4	H8	122.700

All results from a given calculation for C₄H₄Se (selenophene)

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

States and conformations

All results from a given calculation for C₄H₄Se (selenophene)