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	hartrees
Energy at 0K	-2554.734035
Energy at 298.15K
HF Energy	-2553.712074
Nuclear repulsion energy	314.030836

Atom	y (Å)	z (Å)
Se1	0.000	0.903
C2	1.276	-0.433
C3	-1.276	-0.433
C4	0.713	-1.663
C5	-0.713	-1.663
H6	2.323	-0.209
H7	-2.323	-0.209
H8	1.296	-2.566
H9	-1.296	-2.566

	Se1	C2	C3	C4	C5	H6	H7	H8	H9
Se1		1.8476	1.8476	2.6636	2.6636	2.5757	2.5757	3.7028	3.7028
C2	1.8476		2.5523	1.3533	2.3387	1.0707	3.6063	2.1328	3.3411
C3	1.8476	2.5523		2.3387	1.3533	3.6063	1.0707	3.3411	2.1328
C4	2.6636	1.3533	2.3387		1.4254	2.1699	3.3663	1.0742	2.2018
C5	2.6636	2.3387	1.3533	1.4254		3.3663	2.1699	2.2018	1.0742
H6	2.5757	1.0707	3.6063	2.1699	3.3663		4.6463	2.5708	4.3186
H7	2.5757	3.6063	1.0707	3.3663	2.1699	4.6463		4.3186	2.5708
H8	3.7028	2.1328	3.3411	1.0742	2.2018	2.5708	4.3186		2.5914
H9	3.7028	3.3411	2.1328	2.2018	1.0742	4.3186	2.5708	2.5914

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Se1	C2	C4	111.711	Se1	C2	H6	121.616
Se1	C3	C5	111.711	Se1	C3	H7	121.616
C2	Se1	C3	87.372	C2	C4	C5	114.603
C2	C4	H8	122.528	C3	C5	C4	114.603
C3	C5	H9	122.528	C4	C2	H6	126.673
C4	C5	H9	122.869	C5	C3	H7	126.673
C5	C4	H8	122.869

All results from a given calculation for C₄H₄Se (selenophene)

using model chemistry: MP3=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: MP3=FULL/aug-cc-pVTZ

States and conformations

All results from a given calculation for C₄H₄Se (selenophene)