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	hartrees
Energy at 0K	-2554.442027
Energy at 298.15K	-2554.444512
HF Energy	-2553.626570
Nuclear repulsion energy	311.972816

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3269	3083	2.11
2	A₁	3231	3047	4.12
3	A₁	1485	1401	22.15
4	A₁	1397	1318	1.41
5	A₁	1112	1049	3.10
6	A₁	1040	981	1.29
7	A₁	785	740	21.70
8	A₁	467	440	0.02
9	A₂	935	882	0.00
10	A₂	709	669	0.00
11	A₂	544	513	0.00
12	B₁	915	863	0.00
13	B₁	720	679	122.66
14	B₁	403	380	1.76
15	B₂	3266	3080	0.31
16	B₂	3216	3033	3.08
17	B₂	1587	1497	0.49
18	B₂	1292	1218	16.22
19	B₂	1116	1053	0.65
20	B₂	837	789	1.03
21	B₂	652	615	0.65

Atom	y (Å)	z (Å)
Se1	0.000	0.909
C2	1.285	-0.438
C3	-1.285	-0.438
C4	0.718	-1.673
C5	-0.718	-1.673
H6	2.337	-0.204
H7	-2.337	-0.204
H8	1.303	-2.583
H9	-1.303	-2.583

	Se1	C2	C3	C4	C5	H6	H7	H8	H9
Se1		1.8616	1.8616	2.6804	2.6804	2.5888	2.5888	3.7270	3.7270
C2	1.8616		2.5692	1.3591	2.3525	1.0782	3.6292	2.1445	3.3606
C3	1.8616	2.5692		2.3525	1.3591	3.6292	1.0782	3.3606	2.1445
C4	2.6804	1.3591	2.3525		1.4352	2.1865	3.3896	1.0814	2.2156
C5	2.6804	2.3525	1.3591	1.4352		3.3896	2.1865	2.2156	1.0814
H6	2.5888	1.0782	3.6292	2.1865	3.3896		4.6741	2.5935	4.3480
H7	2.5888	3.6292	1.0782	3.3896	2.1865	4.6741		4.3480	2.5935
H8	3.7270	2.1445	3.3606	1.0814	2.2156	2.5935	4.3480		2.6056
H9	3.7270	3.3606	2.1445	2.2156	1.0814	4.3480	2.5935	2.6056

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Se1	C2	C4	111.710	Se1	C2	H6	121.105
Se1	C3	C5	111.710	Se1	C3	H7	121.105
C2	Se1	C3	87.266	C2	C4	C5	114.657
C2	C4	H8	122.578	C3	C5	C4	114.657
C3	C5	H9	122.578	C4	C2	H6	127.185
C4	C5	H9	122.765	C5	C3	H7	127.185
C5	C4	H8	122.765

All results from a given calculation for C₄H₄Se (selenophene)

using model chemistry: CCSD/6-311+G(3df,2p)

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/6-311+G(3df,2p)

States and conformations

All results from a given calculation for C₄H₄Se (selenophene)