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	hartrees
Energy at 0K	-2554.282253
Energy at 298.15K	-2554.284717
HF Energy	-2553.590623
Nuclear repulsion energy	309.810230

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3280	3138	3.03
2	A₁	3245	3105	4.59
3	A₁	1503	1438	23.31
4	A₁	1400	1339	0.74
5	A₁	1102	1054	3.40
6	A₁	1042	997	0.94
7	A₁	780	746	22.38
8	A₁	465	445	0.16
9	A₂	917	877	0.00
10	A₂	707	677	0.00
11	A₂	542	519	0.00
12	B₁	902	863	0.29
13	B₁	721	690	109.35
14	B₁	397	380	1.91
15	B₂	3277	3135	1.28
16	B₂	3231	3091	3.97
17	B₂	1603	1534	0.43
18	B₂	1282	1227	18.45
19	B₂	1110	1062	0.66
20	B₂	840	803	0.89
21	B₂	650	622	0.36

Atom	y (Å)	z (Å)
Se1	0.000	0.916
C2	1.290	-0.439
C3	-1.290	-0.439
C4	0.723	-1.688
C5	-0.723	-1.688
H6	2.356	-0.203
H7	-2.356	-0.203
H8	1.318	-2.606
H9	-1.318	-2.606

	Se1	C2	C3	C4	C5	H6	H7	H8	H9
Se1		1.8701	1.8701	2.7023	2.7023	2.6079	2.6079	3.7608	3.7608
C2	1.8701		2.5795	1.3719	2.3691	1.0920	3.6533	2.1681	3.3915
C3	1.8701	2.5795		2.3691	1.3719	3.6533	1.0920	3.3915	2.1681
C4	2.7023	1.3719	2.3691		1.4462	2.2074	3.4187	1.0945	2.2386
C5	2.7023	2.3691	1.3719	1.4462		3.4187	2.2074	2.2386	1.0945
H6	2.6079	1.0920	3.6533	2.2074	3.4187		4.7119	2.6182	4.3908
H7	2.6079	3.6533	1.0920	3.4187	2.2074	4.7119		4.3908	2.6182
H8	3.7608	2.1681	3.3915	1.0945	2.2386	2.6182	4.3908		2.6368
H9	3.7608	3.3915	2.1681	2.2386	1.0945	4.3908	2.6182	2.6368

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Se1	C2	C4	112.004	Se1	C2	H6	121.124
Se1	C3	C5	112.004	Se1	C3	H7	121.124
C2	Se1	C3	87.205	C2	C4	C5	114.394
C2	C4	H8	122.654	C3	C5	C4	114.394
C3	C5	H9	122.654	C4	C2	H6	126.873
C4	C5	H9	122.951	C5	C3	H7	126.873
C5	C4	H8	122.951

All results from a given calculation for C₄H₄Se (selenophene)

using model chemistry: CCD/cc-pVDZ

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: CCD/cc-pVDZ

States and conformations

All results from a given calculation for C₄H₄Se (selenophene)