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	hartrees
Energy at 0K	-2552.054264
Energy at 298.15K	-2552.056713
HF Energy	-2551.346541
Nuclear repulsion energy	311.345240

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3282	3117	2.52
2	A₁	3237	3074	7.36
3	A₁	1524	1447	21.04
4	A₁	1417	1346	0.51
5	A₁	1136	1079	3.36
6	A₁	1054	1001	1.22
7	A₁	776	737	22.48
8	A₁	462	438	0.34
9	A₂	914	868	0.00
10	A₂	722	685	0.00
11	A₂	548	520	0.00
12	B₁	912	866	0.36
13	B₁	737	700	115.81
14	B₁	401	380	1.35
15	B₂	3280	3115	1.95
16	B₂	3223	3061	4.79
17	B₂	1622	1541	0.00
18	B₂	1307	1241	20.32
19	B₂	1135	1078	0.29
20	B₂	847	805	0.70
21	B₂	637	605	0.23

Atom	y (Å)	z (Å)
Se1	0.000	0.911
C2	1.287	-0.439
C3	-1.287	-0.439
C4	0.719	-1.676
C5	-0.719	-1.676
H6	2.345	-0.207
H7	-2.345	-0.207
H8	1.305	-2.591
H9	-1.305	-2.591

	Se1	C2	C3	C4	C5	H6	H7	H8	H9
Se1		1.8651	1.8651	2.6847	2.6847	2.5981	2.5981	3.7374	3.7374
C2	1.8651		2.5740	1.3609	2.3566	1.0835	3.6398	2.1522	3.3693
C3	1.8651	2.5740		2.3566	1.3609	3.6398	1.0835	3.3693	2.1522
C4	2.6847	1.3609	2.3566		1.4380	2.1914	3.3982	1.0872	2.2218
C5	2.6847	2.3566	1.3609	1.4380		3.3982	2.1914	2.2218	1.0872
H6	2.5981	1.0835	3.6398	2.1914	3.3982		4.6907	2.6011	4.3604
H7	2.5981	3.6398	1.0835	3.3982	2.1914	4.6907		4.3604	2.6011
H8	3.7374	2.1522	3.3693	1.0872	2.2218	2.6011	4.3604		2.6109
H9	3.7374	3.3693	2.1522	2.2218	1.0872	4.3604	2.6011	2.6109

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Se1	C2	C4	111.698	Se1	C2	H6	121.267
Se1	C3	C5	111.698	Se1	C3	H7	121.267
C2	Se1	C3	87.267	C2	C4	C5	114.669
C2	C4	H8	122.686	C3	C5	C4	114.669
C3	C5	H9	122.686	C4	C2	H6	127.035
C4	C5	H9	122.646	C5	C3	H7	127.035
C5	C4	H8	122.646

All results from a given calculation for C₄H₄Se (selenophene)

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

States and conformations

All results from a given calculation for C₄H₄Se (selenophene)