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	hartrees
Energy at 0K	-2554.288133
Energy at 298.15K	-2554.290578
HF Energy	-2553.590460
Nuclear repulsion energy	309.429101

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3274	3102	3.06
2	A₁	3240	3069	4.88
3	A₁	1503	1424	21.13
4	A₁	1394	1321	0.54
5	A₁	1099	1042	3.10
6	A₁	1038	983	1.04
7	A₁	775	735	20.96
8	A₁	463	439	0.12
9	A₂	913	865	0.00
10	A₂	704	667	0.00
11	A₂	539	511	0.00
12	B₁	898	850	0.23
13	B₁	718	680	109.07
14	B₁	395	375	1.87
15	B₂	3271	3099	1.32
16	B₂	3225	3055	3.99
17	B₂	1597	1513	0.30
18	B₂	1277	1210	17.61
19	B₂	1107	1048	0.69
20	B₂	834	790	1.17
21	B₂	644	610	0.43

Atom	y (Å)	z (Å)
Se1	0.000	0.917
C2	1.291	-0.440
C3	-1.291	-0.440
C4	0.724	-1.690
C5	-0.724	-1.690
H6	2.358	-0.204
H7	-2.358	-0.204
H8	1.319	-2.609
H9	-1.319	-2.609

	Se1	C2	C3	C4	C5	H6	H7	H8	H9
Se1		1.8734	1.8734	2.7055	2.7055	2.6108	2.6108	3.7643	3.7643
C2	1.8734		2.5829	1.3726	2.3713	1.0922	3.6569	2.1688	3.3935
C3	1.8734	2.5829		2.3713	1.3726	3.6569	1.0922	3.3935	2.1688
C4	2.7055	1.3726	2.3713		1.4477	2.2085	3.4212	1.0946	2.2397
C5	2.7055	2.3713	1.3726	1.4477		3.4212	2.2085	2.2397	1.0946
H6	2.6108	1.0922	3.6569	2.2085	3.4212		4.7157	2.6197	4.3931
H7	2.6108	3.6569	1.0922	3.4212	2.2085	4.7157		4.3931	2.6197
H8	3.7643	2.1688	3.3935	1.0946	2.2397	2.6197	4.3931		2.6373
H9	3.7643	3.3935	2.1688	2.2397	1.0946	4.3931	2.6197	2.6373

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Se1	C2	C4	111.995	Se1	C2	H6	121.098
Se1	C3	C5	111.995	Se1	C3	H7	121.098
C2	Se1	C3	87.158	C2	C4	C5	114.426
C2	C4	H8	122.661	C3	C5	C4	114.426
C3	C5	H9	122.661	C4	C2	H6	126.908
C4	C5	H9	122.913	C5	C3	H7	126.908
C5	C4	H8	122.913

All results from a given calculation for C₄H₄Se (selenophene)

using model chemistry: CCSD/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: CCSD/cc-pVDZ

States and conformations

All results from a given calculation for C₄H₄Se (selenophene)