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	hartrees
Energy at 0K	-2551.890517
Energy at 298.15K	-2551.893111
HF Energy	-2551.347567
Nuclear repulsion energy	313.120112

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3375	3117	2.93
2	A₁	3328	3075	6.51
3	A₁	1569	1449	26.07
4	A₁	1462	1351	0.59
5	A₁	1168	1079	4.18
6	A₁	1082	1000	1.12
7	A₁	801	740	26.01
8	A₁	477	441	0.41
9	A₂	976	901	0.00
10	A₂	759	701	0.00
11	A₂	572	528	0.00
12	B₁	967	894	0.60
13	B₁	769	711	122.84
14	B₁	415	384	1.42
15	B₂	3372	3115	1.33
16	B₂	3314	3061	5.23
17	B₂	1682	1554	0.00
18	B₂	1349	1246	20.41
19	B₂	1169	1080	0.38
20	B₂	873	806	1.10
21	B₂	662	612	0.27

Atom	y (Å)	z (Å)
Se1	0.000	0.905
C2	1.281	-0.436
C3	-1.281	-0.436
C4	0.717	-1.664
C5	-0.717	-1.664
H6	2.333	-0.208
H7	-2.333	-0.208
H8	1.299	-2.574
H9	-1.299	-2.574

	Se1	C2	C3	C4	C5	H6	H7	H8	H9
Se1		1.8549	1.8549	2.6678	2.6678	2.5850	2.5850	3.7141	3.7141
C2	1.8549		2.5625	1.3517	2.3456	1.0765	3.6217	2.1383	3.3511
C3	1.8549	2.5625		2.3456	1.3517	3.6217	1.0765	3.3511	2.1383
C4	2.6678	1.3517	2.3456		1.4341	2.1757	3.3802	1.0801	2.2119
C5	2.6678	2.3456	1.3517	1.4341		3.3802	2.1757	2.2119	1.0801
H6	2.5850	1.0765	3.6217	2.1757	3.3802		4.6664	2.5827	4.3352
H7	2.5850	3.6217	1.0765	3.3802	2.1757	4.6664		4.3352	2.5827
H8	3.7141	2.1383	3.3511	1.0801	2.2119	2.5827	4.3352		2.5980
H9	3.7141	3.3511	2.1383	2.2119	1.0801	4.3352	2.5827	2.5980

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Se1	C2	C4	111.640	Se1	C2	H6	121.439
Se1	C3	C5	111.640	Se1	C3	H7	121.439
C2	Se1	C3	87.377	C2	C4	C5	114.671
C2	C4	H8	122.730	C3	C5	C4	114.671
C3	C5	H9	122.730	C4	C2	H6	126.920
C4	C5	H9	122.599	C5	C3	H7	126.920
C5	C4	H8	122.599

All results from a given calculation for C₄H₄Se (selenophene)

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

States and conformations

All results from a given calculation for C₄H₄Se (selenophene)