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	hartrees
Energy at 0K	-2554.331378
Energy at 298.15K
HF Energy	-2553.600311
Nuclear repulsion energy	308.992866

Atom	y (Å)	z (Å)
Se1	0.000	0.918
C2	1.294	-0.441
C3	-1.294	-0.441
C4	0.725	-1.692
C5	-0.725	-1.692
H6	2.358	-0.203
H7	-2.358	-0.203
H8	1.319	-2.609
H9	-1.319	-2.609

	Se1	C2	C3	C4	C5	H6	H7	H8	H9
Se1		1.8771	1.8771	2.7094	2.7094	2.6108	2.6108	3.7660	3.7660
C2	1.8771		2.5889	1.3749	2.3753	1.0898	3.6601	2.1682	3.3956
C3	1.8771	2.5889		2.3753	1.3749	3.6601	1.0898	3.3956	2.1682
C4	2.7094	1.3749	2.3753		1.4491	2.2107	3.4235	1.0926	2.2396
C5	2.7094	2.3753	1.3749	1.4491		3.4235	2.2107	2.2396	1.0926
H6	2.6108	1.0898	3.6601	2.2107	3.4235		4.7158	2.6213	4.3943
H7	2.6108	3.6601	1.0898	3.4235	2.2107	4.7158		4.3943	2.6213
H8	3.7660	2.1682	3.3956	1.0926	2.2396	2.6213	4.3943		2.6376
H9	3.7660	3.3956	2.1682	2.2396	1.0926	4.3943	2.6213	2.6376

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Se1	C2	C4	111.915	Se1	C2	H6	120.961
Se1	C3	C5	111.915	Se1	C3	H7	120.961
C2	Se1	C3	87.195	C2	C4	C5	114.487
C2	C4	H8	122.561	C3	C5	C4	114.487
C3	C5	H9	122.561	C4	C2	H6	127.124
C4	C5	H9	122.951	C5	C3	H7	127.124
C5	C4	H8	122.951

All results from a given calculation for C₄H₄Se (selenophene)

using model chemistry: QCISD/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: QCISD/daug-cc-pVDZ

States and conformations

All results from a given calculation for C₄H₄Se (selenophene)