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	hartrees
Energy at 0K	-2554.793419
Energy at 298.15K
HF Energy	-2553.669912
Nuclear repulsion energy	312.067888

Atom	y (Å)	z (Å)
Se1	0.000	0.908
C2	1.284	-0.435
C3	-1.284	-0.435
C4	0.716	-1.676
C5	-0.716	-1.676
H6	2.334	-0.197
H7	-2.334	-0.197
H8	1.302	-2.582
H9	-1.302	-2.582

	Se1	C2	C3	C4	C5	H6	H7	H8	H9
Se1		1.8584	1.8584	2.6820	2.6820	2.5827	2.5827	3.7259	3.7259
C2	1.8584		2.5686	1.3653	2.3543	1.0763	3.6261	2.1479	3.3620
C3	1.8584	2.5686		2.3543	1.3653	3.6261	1.0763	3.3620	2.1479
C4	2.6820	1.3653	2.3543		1.4323	2.1920	3.3898	1.0794	2.2126
C5	2.6820	2.3543	1.3653	1.4323		3.3898	2.1920	2.2126	1.0794
H6	2.5827	1.0763	3.6261	2.1920	3.3898		4.6680	2.5989	4.3488
H7	2.5827	3.6261	1.0763	3.3898	2.1920	4.6680		4.3488	2.5989
H8	3.7259	2.1479	3.3620	1.0794	2.2126	2.5989	4.3488		2.6045
H9	3.7259	3.3620	2.1479	2.2126	1.0794	4.3488	2.5989	2.6045

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Se1	C2	C4	111.692	Se1	C2	H6	120.967
Se1	C3	C5	111.692	Se1	C3	H7	120.967
C2	Se1	C3	87.434	C2	C4	C5	114.592
C2	C4	H8	122.520	C3	C5	C4	114.592
C3	C5	H9	122.520	C4	C2	H6	127.341
C4	C5	H9	122.888	C5	C3	H7	127.341
C5	C4	H8	122.888

All results from a given calculation for C₄H₄Se (selenophene)

using model chemistry: QCISD(T)=FULL/Def2TZVPP

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(T)=FULL/Def2TZVPP

States and conformations

All results from a given calculation for C₄H₄Se (selenophene)