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	hartrees
Energy at 0K	-2554.799357
Energy at 298.15K
HF Energy	-2553.710950
Nuclear repulsion energy	313.132034

Atom	y (Å)	z (Å)
Se1	0.000	0.905
C2	1.281	-0.430
C3	-1.281	-0.430
C4	0.710	-1.671
C5	-0.710	-1.671
H6	2.332	-0.199
H7	-2.332	-0.199
H8	1.297	-2.577
H9	-1.297	-2.577

	Se1	C2	C3	C4	C5	H6	H7	H8	H9
Se1		1.8499	1.8499	2.6724	2.6724	2.5797	2.5797	3.7153	3.7153
C2	1.8499		2.5619	1.3665	2.3465	1.0757	3.6199	2.1471	3.3547
C3	1.8499	2.5619		2.3465	1.3665	3.6199	1.0757	3.3547	2.1471
C4	2.6724	1.3665	2.3465		1.4203	2.1902	3.3793	1.0788	2.2016
C5	2.6724	2.3465	1.3665	1.4203		3.3793	2.1902	2.2016	1.0788
H6	2.5797	1.0757	3.6199	2.1902	3.3793		4.6631	2.5933	4.3380
H7	2.5797	3.6199	1.0757	3.3793	2.1902	4.6631		4.3380	2.5933
H8	3.7153	2.1471	3.3547	1.0788	2.2016	2.5933	4.3380		2.5934
H9	3.7153	3.3547	2.1471	2.2016	1.0788	4.3380	2.5933	2.5934

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Se1	C2	C4	111.487	Se1	C2	H6	121.435
Se1	C3	C5	111.487	Se1	C3	H7	121.435
C2	Se1	C3	87.647	C2	C4	C5	114.689
C2	C4	H8	122.376	C3	C5	C4	114.689
C3	C5	H9	122.376	C4	C2	H6	127.078
C4	C5	H9	122.934	C5	C3	H7	127.078
C5	C4	H8	122.934

All results from a given calculation for C₄H₄Se (selenophene)

using model chemistry: MP4=FULL/aug-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: MP4=FULL/aug-cc-pVTZ

States and conformations

All results from a given calculation for C₄H₄Se (selenophene)