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	hartrees
Energy at 0K	-2554.431580
Energy at 298.15K
HF Energy	-2553.710488
Nuclear repulsion energy	314.665739

Atom	y (Å)	z (Å)
Se1	0.000	0.901
C2	1.275	-0.433
C3	-1.275	-0.433
C4	0.715	-1.657
C5	-0.715	-1.657
H6	2.319	-0.205
H7	-2.319	-0.205
H8	1.295	-2.560
H9	-1.295	-2.560

	Se1	C2	C3	C4	C5	H6	H7	H8	H9
Se1		1.8449	1.8449	2.6560	2.6560	2.5696	2.5696	3.6945	3.6945
C2	1.8449		2.5496	1.3465	2.3360	1.0691	3.6014	2.1267	3.3354
C3	1.8449	2.5496		2.3360	1.3465	3.6014	1.0691	3.3354	2.1267
C4	2.6560	1.3465	2.3360		1.4293	2.1642	3.3636	1.0726	2.2026
C5	2.6560	2.3360	1.3465	1.4293		3.3636	2.1642	2.2026	1.0726
H6	2.5696	1.0691	3.6014	2.1642	3.3636		4.6388	2.5675	4.3133
H7	2.5696	3.6014	1.0691	3.3636	2.1642	4.6388		4.3133	2.5675
H8	3.6945	2.1267	3.3354	1.0726	2.2026	2.5675	4.3133		2.5895
H9	3.6945	3.3354	2.1267	2.2026	1.0726	4.3133	2.5675	2.5895

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Se1	C2	C4	111.707	Se1	C2	H6	121.417
Se1	C3	C5	111.707	Se1	C3	H7	121.417
C2	Se1	C3	87.417	C2	C4	C5	114.584
C2	C4	H8	122.672	C3	C5	C4	114.584
C3	C5	H9	122.672	C4	C2	H6	126.875
C4	C5	H9	122.744	C5	C3	H7	126.875
C5	C4	H8	122.744

All results from a given calculation for C₄H₄Se (selenophene)

using model chemistry: CISD/cc-pVTZ

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: CISD/cc-pVTZ

States and conformations

All results from a given calculation for C₄H₄Se (selenophene)