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	hartrees
Energy at 0K	-2554.748211
Energy at 298.15K
HF Energy	-2553.709669
Nuclear repulsion energy	312.841497

Atom	y (Å)	z (Å)
Se1	0.000	0.907
C2	1.281	-0.434
C3	-1.281	-0.434
C4	0.714	-1.672
C5	-0.714	-1.672
H6	2.328	-0.202
H7	-2.328	-0.202
H8	1.298	-2.576
H9	-1.298	-2.576

	Se1	C2	C3	C4	C5	H6	H7	H8	H9
Se1		1.8539	1.8539	2.6756	2.6756	2.5789	2.5789	3.7164	3.7164
C2	1.8539		2.5618	1.3620	2.3479	1.0728	3.6167	2.1423	3.3523
C3	1.8539	2.5618		2.3479	1.3620	3.6167	1.0728	3.3523	2.1423
C4	2.6756	1.3620	2.3479		1.4277	2.1835	3.3788	1.0760	2.2052
C5	2.6756	2.3479	1.3620	1.4277		3.3788	2.1835	2.2052	1.0760
H6	2.5789	1.0728	3.6167	2.1835	3.3788		4.6568	2.5880	4.3340
H7	2.5789	3.6167	1.0728	3.3788	2.1835	4.6568		4.3340	2.5880
H8	3.7164	2.1423	3.3523	1.0760	2.2052	2.5880	4.3340		2.5952
H9	3.7164	3.3523	2.1423	2.2052	1.0760	4.3340	2.5880	2.5952

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Se1	C2	C4	111.694	Se1	C2	H6	121.231
Se1	C3	C5	111.694	Se1	C3	H7	121.231
C2	Se1	C3	87.404	C2	C4	C5	114.604
C2	C4	H8	122.541	C3	C5	C4	114.604
C3	C5	H9	122.541	C4	C2	H6	127.075
C4	C5	H9	122.854	C5	C3	H7	127.075
C5	C4	H8	122.854

All results from a given calculation for C₄H₄Se (selenophene)

using model chemistry: CCSD(T)=FULL/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: CCSD(T)=FULL/cc-pVTZ

States and conformations

All results from a given calculation for C₄H₄Se (selenophene)