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	hartrees
Energy at 0K	-2554.455108
Energy at 298.15K
HF Energy	-2553.654120
Nuclear repulsion energy	310.980924

Atom	y (Å)	z (Å)
Se1	0.000	0.914
C2	1.286	-0.445
C3	-1.286	-0.445
C4	0.719	-1.678
C5	-0.719	-1.678
H6	2.339	-0.209
H7	-2.339	-0.209
H8	1.302	-2.590
H9	-1.302	-2.590

	Se1	C2	C3	C4	C5	H6	H7	H8	H9
Se1		1.8715	1.8715	2.6903	2.6903	2.5944	2.5944	3.7377	3.7377
C2	1.8715		2.5730	1.3576	2.3542	1.0784	3.6329	2.1444	3.3613
C3	1.8715	2.5730		2.3542	1.3576	3.6329	1.0784	3.3613	2.1444
C4	2.6903	1.3576	2.3542		1.4377	2.1870	3.3923	1.0818	2.2167
C5	2.6903	2.3542	1.3576	1.4377		3.3923	2.1870	2.2167	1.0818
H6	2.5944	1.0784	3.6329	2.1870	3.3923		4.6774	2.5966	4.3498
H7	2.5944	3.6329	1.0784	3.3923	2.1870	4.6774		4.3498	2.5966
H8	3.7377	2.1444	3.3613	1.0818	2.2167	2.5966	4.3498		2.6038
H9	3.7377	3.3613	2.1444	2.2167	1.0818	4.3498	2.5966	2.6038

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Se1	C2	C4	111.860	Se1	C2	H6	120.770
Se1	C3	C5	111.860	Se1	C3	H7	120.770
C2	Se1	C3	86.848	C2	C4	C5	114.716
C2	C4	H8	122.669	C3	C5	C4	114.716
C3	C5	H9	122.669	C4	C2	H6	127.370
C4	C5	H9	122.614	C5	C3	H7	127.370
C5	C4	H8	122.614

All results from a given calculation for C₄H₄Se (selenophene)

using model chemistry: CCSD/TZVP

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/TZVP

States and conformations

All results from a given calculation for C₄H₄Se (selenophene)