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	hartrees
Energy at 0K	-2554.315352
Energy at 298.15K	-2554.317643
HF Energy	-2553.590937
Nuclear repulsion energy	309.363330

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3224	3103
2	A₁	3187	3068
3	A₁	1463	1408
4	A₁	1377	1326
5	A₁	1105	1064
6	A₁	1030	992
7	A₁	765	737
8	A₁	456	439
9	A₂	814	784
10	A₂	659	635
11	A₂	506	487
12	B₁	828	797
13	B₁	690	664
14	B₁	384	369
15	B₂	3221	3101
16	B₂	3173	3054
17	B₂	1556	1498
18	B₂	1268	1221
19	B₂	1107	1066
20	B₂	834	803
21	B₂	628	605

Atom	y (Å)	z (Å)
Se1	0.000	0.918
C2	1.294	-0.443
C3	-1.294	-0.443
C4	0.721	-1.689
C5	-0.721	-1.689
H6	2.354	-0.204
H7	-2.354	-0.204
H8	1.311	-2.605
H9	-1.311	-2.605

	Se1	C2	C3	C4	C5	H6	H7	H8	H9
Se1		1.8778	1.8778	2.7048	2.7048	2.6072	2.6072	3.7586	3.7586
C2	1.8778		2.5888	1.3720	2.3699	1.0860	3.6560	2.1621	3.3859
C3	1.8778	2.5888		2.3699	1.3720	3.6560	1.0860	3.3859	2.1621
C4	2.7048	1.3720	2.3699		1.4423	2.2074	3.4150	1.0893	2.2292
C5	2.7048	2.3699	1.3720	1.4423		3.4150	2.2074	2.2292	1.0893
H6	2.6072	1.0860	3.6560	2.2074	3.4150		4.7076	2.6177	4.3816
H7	2.6072	3.6560	1.0860	3.4150	2.2074	4.7076		4.3816	2.6177
H8	3.7586	2.1621	3.3859	1.0893	2.2292	2.6177	4.3816		2.6226
H9	3.7586	3.3859	2.1621	2.2292	1.0893	4.3816	2.6177	2.6226

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Se1	C2	C4	111.726	Se1	C2	H6	120.858
Se1	C3	C5	111.726	Se1	C3	H7	120.858
C2	Se1	C3	87.154	C2	C4	C5	114.697
C2	C4	H8	122.499	C3	C5	C4	114.697
C3	C5	H9	122.499	C4	C2	H6	127.416
C4	C5	H9	122.804	C5	C3	H7	127.416
C5	C4	H8	122.804

All results from a given calculation for C₄H₄Se (selenophene)

using model chemistry: CCSD(T)/6-311G*

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)/6-311G*

States and conformations

All results from a given calculation for C₄H₄Se (selenophene)