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	hartrees
Energy at 0K	-2554.338510
Energy at 298.15K	-2554.340894
HF Energy	-2553.589486
Nuclear repulsion energy	308.937096

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3258	3138
2	A₁	3224	3106
3	A₁	1474	1419
4	A₁	1375	1325
5	A₁	1086	1046
6	A₁	1031	993
7	A₁	769	741
8	A₁	458	441
9	A₂	889	856
10	A₂	683	658
11	A₂	531	511
12	B₁	871	838
13	B₁	707	681
14	B₁	390	376
15	B₂	3255	3135
16	B₂	3210	3092
17	B₂	1559	1502
18	B₂	1259	1213
19	B₂	1092	1052
20	B₂	824	793
21	B₂	637	613

Atom	y (Å)	z (Å)
Se1	0.000	0.918
C2	1.294	-0.439
C3	-1.294	-0.439
C4	0.723	-1.695
C5	-0.723	-1.695
H6	2.361	-0.201
H7	-2.361	-0.201
H8	1.319	-2.613
H9	-1.319	-2.613

	Se1	C2	C3	C4	C5	H6	H7	H8	H9
Se1		1.8749	1.8749	2.7112	2.7112	2.6130	2.6130	3.7703	3.7703
C2	1.8749		2.5873	1.3797	2.3757	1.0932	3.6622	2.1750	3.3997
C3	1.8749	2.5873		2.3757	1.3797	3.6622	1.0932	3.3997	2.1750
C4	2.7112	1.3797	2.3757		1.4457	2.2164	3.4262	1.0955	2.2394
C5	2.7112	2.3757	1.3797	1.4457		3.4262	2.2164	2.2394	1.0955
H6	2.6130	1.0932	3.6622	2.2164	3.4262		4.7217	2.6272	4.4002
H7	2.6130	3.6622	1.0932	3.4262	2.2164	4.7217		4.4002	2.6272
H8	3.7703	2.1750	3.3997	1.0955	2.2394	2.6272	4.4002		2.6387
H9	3.7703	3.3997	2.1750	2.2394	1.0955	4.4002	2.6272	2.6387

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Se1	C2	C4	111.929	Se1	C2	H6	121.106
Se1	C3	C5	111.929	Se1	C3	H7	121.106
C2	Se1	C3	87.262	C2	C4	C5	114.440
C2	C4	H8	122.567	C3	C5	C4	114.440
C3	C5	H9	122.567	C4	C2	H6	126.965
C4	C5	H9	122.994	C5	C3	H7	126.965
C5	C4	H8	122.994

All results from a given calculation for C₄H₄Se (selenophene)

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

States and conformations

All results from a given calculation for C₄H₄Se (selenophene)