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	hartrees
Energy at 0K	-2554.352714
Energy at 298.15K
HF Energy	-2553.600659
Nuclear repulsion energy	309.558957

Atom	y (Å)	z (Å)
Se1	0.000	0.917
C2	1.292	-0.439
C3	-1.292	-0.439
C4	0.724	-1.690
C5	-0.724	-1.690
H6	2.355	-0.204
H7	-2.355	-0.204
H8	1.318	-2.605
H9	-1.318	-2.605

	Se1	C2	C3	C4	C5	H6	H7	H8	H9
Se1		1.8724	1.8724	2.7048	2.7048	2.6076	2.6076	3.7601	3.7601
C2	1.8724		2.5836	1.3738	2.3719	1.0887	3.6541	2.1663	3.3916
C3	1.8724	2.5836		2.3719	1.3738	3.6541	1.0887	3.3916	2.1663
C4	2.7048	1.3738	2.3719		1.4471	2.2066	3.4182	1.0914	2.2373
C5	2.7048	2.3719	1.3738	1.4471		3.4182	2.2066	2.2373	1.0914
H6	2.6076	1.0887	3.6541	2.2066	3.4182		4.7095	2.6156	4.3880
H7	2.6076	3.6541	1.0887	3.4182	2.2066	4.7095		4.3880	2.6156
H8	3.7601	2.1663	3.3916	1.0914	2.2373	2.6156	4.3880		2.6358
H9	3.7601	3.3916	2.1663	2.2373	1.0914	4.3880	2.6156	2.6358

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Se1	C2	C4	111.945	Se1	C2	H6	121.146
Se1	C3	C5	111.945	Se1	C3	H7	121.146
C2	Se1	C3	87.245	C2	C4	C5	114.433
C2	C4	H8	122.570	C3	C5	C4	114.433
C3	C5	H9	122.570	C4	C2	H6	126.909
C4	C5	H9	122.998	C5	C3	H7	126.909
C5	C4	H8	122.998

All results from a given calculation for C₄H₄Se (selenophene)

using model chemistry: CCSD=FULL/daug-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=FULL/daug-cc-pVDZ

States and conformations

All results from a given calculation for C₄H₄Se (selenophene)