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	hartrees
Energy at 0K	-2554.614051
Energy at 298.15K
HF Energy	-2553.711891
Nuclear repulsion energy	312.370894

Atom	y (Å)	z (Å)
Se1	0.000	0.908
C2	1.283	-0.436
C3	-1.283	-0.436
C4	0.718	-1.672
C5	-0.718	-1.672
H6	2.335	-0.202
H7	-2.335	-0.202
H8	1.303	-2.580
H9	-1.303	-2.580

	Se1	C2	C3	C4	C5	H6	H7	H8	H9
Se1		1.8576	1.8576	2.6774	2.6774	2.5848	2.5848	3.7232	3.7232
C2	1.8576		2.5658	1.3591	2.3516	1.0775	3.6251	2.1442	3.3596
C3	1.8576	2.5658		2.3516	1.3591	3.6251	1.0775	3.3596	2.1442
C4	2.6774	1.3591	2.3516		1.4354	2.1854	3.3879	1.0807	2.2158
C5	2.6774	2.3516	1.3591	1.4354		3.3879	2.1854	2.2158	1.0807
H6	2.5848	1.0775	3.6251	2.1854	3.3879		4.6693	2.5922	4.3465
H7	2.5848	3.6251	1.0775	3.3879	2.1854	4.6693		4.3465	2.5922
H8	3.7232	2.1442	3.3596	1.0807	2.2158	2.5922	4.3465		2.6070
H9	3.7232	3.3596	2.1442	2.2158	1.0807	4.3465	2.5922	2.6070

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Se1	C2	C4	111.745	Se1	C2	H6	121.129
Se1	C3	C5	111.745	Se1	C3	H7	121.129
C2	Se1	C3	87.360	C2	C4	C5	114.575
C2	C4	H8	122.599	C3	C5	C4	114.575
C3	C5	H9	122.599	C4	C2	H6	127.126
C4	C5	H9	122.826	C5	C3	H7	127.126
C5	C4	H8	122.826

All results from a given calculation for C₄H₄Se (selenophene)

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

States and conformations

All results from a given calculation for C₄H₄Se (selenophene)