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	hartrees
Energy at 0K	-2552.161003
Energy at 298.15K	-2552.163416
HF Energy	-2551.387722
Nuclear repulsion energy	311.125972

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3303	3303
2	A₁	3260	3260
3	A₁	1482	1482
4	A₁	1403	1403
5	A₁	1127	1127
6	A₁	1048	1048
7	A₁	782	782
8	A₁	464	464
9	A₂	864	864
10	A₂	689	689
11	A₂	515	515
12	B₁	881	881
13	B₁	714	714
14	B₁	422	422
15	B₂	3300	3300
16	B₂	3246	3246
17	B₂	1573	1573
18	B₂	1298	1298
19	B₂	1126	1126
20	B₂	834	834
21	B₂	630	630

Atom	y (Å)	z (Å)
Se1	0.000	0.912
C2	1.286	-0.435
C3	-1.286	-0.435
C4	0.719	-1.684
C5	-0.719	-1.684
H6	2.338	-0.197
H7	-2.338	-0.197
H8	1.308	-2.592
H9	-1.308	-2.592

	Se1	C2	C3	C4	C5	H6	H7	H8	H9
Se1		1.8618	1.8618	2.6934	2.6934	2.5877	2.5877	3.7399	3.7399
C2	1.8618		2.5714	1.3719	2.3618	1.0789	3.6316	2.1573	3.3733
C3	1.8618	2.5714		2.3618	1.3719	3.6316	1.0789	3.3733	2.1573
C4	2.6934	1.3719	2.3618		1.4373	2.1985	3.3992	1.0823	2.2204
C5	2.6934	2.3618	1.3719	1.4373		3.3992	2.1985	2.2204	1.0823
H6	2.5877	1.0789	3.6316	2.1985	3.3992		4.6761	2.6072	4.3619
H7	2.5877	3.6316	1.0789	3.3992	2.1985	4.6761		4.3619	2.6072
H8	3.7399	2.1573	3.3733	1.0823	2.2204	2.6072	4.3619		2.6152
H9	3.7399	3.3733	2.1573	2.2204	1.0823	4.3619	2.6072	2.6152

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Se1	C2	C4	111.910	Se1	C2	H6	120.948
Se1	C3	C5	111.910	Se1	C3	H7	120.948
C2	Se1	C3	87.349	C2	C4	C5	114.415
C2	C4	H8	122.619	C3	C5	C4	114.415
C3	C5	H9	122.619	C4	C2	H6	127.142
C4	C5	H9	122.966	C5	C3	H7	127.142
C5	C4	H8	122.966

All results from a given calculation for C₄H₄Se (selenophene)

using model chemistry: QCISD(T)=FULL/6-31+G**

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(T)=FULL/6-31+G**

States and conformations

All results from a given calculation for C₄H₄Se (selenophene)