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	hartrees
Energy at 0K	-2554.321847
Energy at 298.15K	-2554.324208
HF Energy	-2553.588775
Nuclear repulsion energy	308.820566

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3254	3146
2	A₁	3219	3113
3	A₁	1456	1407
4	A₁	1367	1322
5	A₁	1082	1046
6	A₁	1032	998
7	A₁	769	744
8	A₁	457	442
9	A₂	877	848
10	A₂	669	647
11	A₂	529	512
12	B₁	854	826
13	B₁	702	679
14	B₁	391	378
15	B₂	3251	3143
16	B₂	3205	3099
17	B₂	1538	1487
18	B₂	1252	1211
19	B₂	1086	1050
20	B₂	822	795
21	B₂	635	614

Atom	y (Å)	z (Å)
Se1	0.000	0.918
C2	1.296	-0.437
C3	-1.296	-0.437
C4	0.721	-1.696
C5	-0.721	-1.696
H6	2.363	-0.197
H7	-2.363	-0.197
H8	1.319	-2.616
H9	-1.319	-2.616

	Se1	C2	C3	C4	C5	H6	H7	H8	H9
Se1		1.8745	1.8745	2.7118	2.7118	2.6129	2.6129	3.7717	3.7717
C2	1.8745		2.5913	1.3843	2.3777	1.0943	3.6668	2.1791	3.4034
C3	1.8745	2.5913		2.3777	1.3843	3.6668	1.0943	3.4034	2.1791
C4	2.7118	1.3843	2.3777		1.4422	2.2238	3.4296	1.0967	2.2376
C5	2.7118	2.3777	1.3843	1.4422		3.4296	2.2238	2.2376	1.0967
H6	2.6129	1.0943	3.6668	2.2238	3.4296		4.7265	2.6349	4.4056
H7	2.6129	3.6668	1.0943	3.4296	2.2238	4.7265		4.4056	2.6349
H8	3.7717	2.1791	3.4034	1.0967	2.2376	2.6349	4.4056		2.6376
H9	3.7717	3.4034	2.1791	2.2376	1.0967	4.4056	2.6349	2.6376

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Se1	C2	C4	111.756	Se1	C2	H6	121.051
Se1	C3	C5	111.756	Se1	C3	H7	121.051
C2	Se1	C3	87.447	C2	C4	C5	114.521
C2	C4	H8	122.456	C3	C5	C4	114.521
C3	C5	H9	122.456	C4	C2	H6	127.193
C4	C5	H9	123.023	C5	C3	H7	127.193
C5	C4	H8	123.023

All results from a given calculation for C₄H₄Se (selenophene)

using model chemistry: MP4/cc-pVDZ

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/cc-pVDZ

States and conformations

All results from a given calculation for C₄H₄Se (selenophene)