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	hartrees
Energy at 0K	-2541.856966
Energy at 298.15K	-2541.859487
HF Energy	-2541.409006
Nuclear repulsion energy	305.084225

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3253	3153	2.25
2	A₁	3195	3096	5.41
3	A₁	1471	1426	18.82
4	A₁	1409	1366	0.02
5	A₁	1154	1118	3.30
6	A₁	992	962	0.37
7	A₁	761	738	19.94
8	A₁	470	456	0.18
9	A₂	976	946	0.00
10	A₂	760	737	0.00
11	A₂	571	554	0.00
12	B₁	964	935	4.39
13	B₁	745	722	142.24
14	B₁	404	391	0.85
15	B₂	3249	3149	2.62
16	B₂	3180	3082	4.43
17	B₂	1581	1532	0.00
18	B₂	1341	1300	20.02
19	B₂	1147	1111	1.07
20	B₂	868	842	0.65
21	B₂	603	584	0.13

Atom	y (Å)	z (Å)
Se1	0.000	0.939
C2	1.306	-0.472
C3	-1.306	-0.472
C4	0.731	-1.708
C5	-0.731	-1.708
H6	2.367	-0.258
H7	-2.367	-0.258
H8	1.313	-2.626
H9	-1.313	-2.626

	Se1	C2	C3	C4	C5	H6	H7	H8	H9
Se1		1.9220	1.9220	2.7459	2.7459	2.6519	2.6519	3.7991	3.7991
C2	1.9220		2.6110	1.3634	2.3821	1.0825	3.6783	2.1544	3.3910
C3	1.9220	2.6110		2.3821	1.3634	3.6783	1.0825	3.3910	2.1544
C4	2.7459	1.3634	2.3821		1.4613	2.1863	3.4200	1.0873	2.2406
C5	2.7459	2.3821	1.3634	1.4613		3.4200	2.1863	2.2406	1.0873
H6	2.6519	1.0825	3.6783	2.1863	3.4200		4.7332	2.5921	4.3761
H7	2.6519	3.6783	1.0825	3.4200	2.1863	4.7332		4.3761	2.5921
H8	3.7991	2.1544	3.3910	1.0873	2.2406	2.5921	4.3761		2.6264
H9	3.7991	3.3910	2.1544	2.2406	1.0873	4.3761	2.5921	2.6264

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Se1	C2	C4	112.278	Se1	C2	H6	121.378
Se1	C3	C5	112.278	Se1	C3	H7	121.378
C2	Se1	C3	85.568	C2	C4	C5	114.938
C2	C4	H8	122.667	C3	C5	C4	114.938
C3	C5	H9	122.667	C4	C2	H6	126.344
C4	C5	H9	122.395	C5	C3	H7	126.344
C5	C4	H8	122.395

All results from a given calculation for C₄H₄Se (selenophene)

using model chemistry: QCISD/3-21G

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/3-21G

States and conformations

All results from a given calculation for C₄H₄Se (selenophene)