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	hartrees
Energy at 0K	-2554.610141
Energy at 298.15K
HF Energy	-2553.711628
Nuclear repulsion energy	312.377625

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	2.6773	2.6773	2.5852	2.5852	3.7229	3.7229
C2	1.8576		2.5659	1.3591	2.3515	1.0774	3.6253	2.1440	3.3592
C3	1.8576	2.5659		2.3515	1.3591	3.6253	1.0774	3.3592	2.1440
C4	2.6773	1.3591	2.3515		1.4351	2.1850	3.3875	1.0804	2.2152
C5	2.6773	2.3515	1.3591	1.4351		3.3875	2.1850	2.2152	1.0804
H6	2.5852	1.0774	3.6253	2.1850	3.3875		4.6695	2.5916	4.3457
H7	2.5852	3.6253	1.0774	3.3875	2.1850	4.6695		4.3457	2.5916
H8	3.7229	2.1440	3.3592	1.0804	2.2152	2.5916	4.3457		2.6061
H9	3.7229	3.3592	2.1440	2.2152	1.0804	4.3457	2.5916	2.6061

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Se1	C2	C4	111.735	Se1	C2	H6	121.168
Se1	C3	C5	111.735	Se1	C3	H7	121.168
C2	Se1	C3	87.362	C2	C4	C5	114.584
C2	C4	H8	122.601	C3	C5	C4	114.584
C3	C5	H9	122.601	C4	C2	H6	127.097
C4	C5	H9	122.815	C5	C3	H7	127.097
C5	C4	H8	122.815

All results from a given calculation for C₄H₄Se (selenophene)

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

States and conformations

All results from a given calculation for C₄H₄Se (selenophene)