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	hartrees
Energy at 0K	-2554.741560
Energy at 298.15K	-2554.744120
HF Energy	-2553.670744
Nuclear repulsion energy	312.975701

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3284	3284	2.03
2	A₁	3242	3242	3.98
3	A₁	1491	1491	22.11
4	A₁	1407	1407	1.04
5	A₁	1120	1120	3.37
6	A₁	1046	1046	1.38
7	A₁	793	793	21.78
8	A₁	472	472	0.02
9	A₂	977	977	0.00
10	A₂	733	733	0.00
11	A₂	569	569	0.00
12	B₁	947	947	0.05
13	B₁	747	747	124.72
14	B₁	414	414	1.14
15	B₂	3281	3281	0.28
16	B₂	3227	3227	3.18
17	B₂	1598	1598	0.25
18	B₂	1306	1306	17.00
19	B₂	1125	1125	0.75
20	B₂	846	846	1.18
21	B₂	660	660	0.66

Atom	y (Å)	z (Å)
Se1	0.000	0.906
C2	1.280	-0.435
C3	-1.280	-0.435
C4	0.716	-1.669
C5	-0.716	-1.669
H6	2.328	-0.201
H7	-2.328	-0.201
H8	1.300	-2.575
H9	-1.300	-2.575

	Se1	C2	C3	C4	C5	H6	H7	H8	H9
Se1		1.8540	1.8540	2.6733	2.6733	2.5778	2.5778	3.7159	3.7159
C2	1.8540		2.5597	1.3567	2.3470	1.0738	3.6152	2.1398	3.3517
C3	1.8540	2.5597		2.3470	1.3567	3.6152	1.0738	3.3517	2.1398
C4	2.6733	1.3567	2.3470		1.4329	2.1800	3.3798	1.0773	2.2104
C5	2.6733	2.3470	1.3567	1.4329		3.3798	2.1800	2.2104	1.0773
H6	2.5778	1.0738	3.6152	2.1800	3.3798		4.6557	2.5867	4.3354
H7	2.5778	3.6152	1.0738	3.3798	2.1800	4.6557		4.3354	2.5867
H8	3.7159	2.1398	3.3517	1.0773	2.2104	2.5867	4.3354		2.6000
H9	3.7159	3.3517	2.1398	2.2104	1.0773	4.3354	2.5867	2.6000

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Se1	C2	C4	111.810	Se1	C2	H6	121.065
Se1	C3	C5	111.810	Se1	C3	H7	121.065
C2	Se1	C3	87.309	C2	C4	C5	114.536
C2	C4	H8	122.666	C3	C5	C4	114.536
C3	C5	H9	122.666	C4	C2	H6	127.125
C4	C5	H9	122.798	C5	C3	H7	127.125
C5	C4	H8	122.798

All results from a given calculation for C₄H₄Se (selenophene)

using model chemistry: CCSD=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: CCSD=FULL/Def2TZVPP

States and conformations

All results from a given calculation for C₄H₄Se (selenophene)