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	hartrees
Energy at 0K	-2554.324337
Energy at 298.15K	-2554.326757
HF Energy	-2553.598309
Nuclear repulsion energy	309.101303

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3266	3146	2.43
2	A₁	3230	3112	5.15
3	A₁	1484	1430	22.74
4	A₁	1381	1331	1.75
5	A₁	1093	1053	2.39
6	A₁	1032	994	1.34
7	A₁	773	744	21.64
8	A₁	462	445	0.07
9	A₂	892	860	0.00
10	A₂	688	663	0.00
11	A₂	533	513	0.00
12	B₁	884	852	0.08
13	B₁	710	684	124.72
14	B₁	394	380	1.68
15	B₂	3263	3143	1.14
16	B₂	3216	3098	3.43
17	B₂	1573	1516	0.89
18	B₂	1273	1226	16.81
19	B₂	1095	1055	0.36
20	B₂	830	800	1.09
21	B₂	640	616	0.55

Atom	y (Å)	z (Å)
Se1	0.000	0.918
C2	1.294	-0.440
C3	-1.294	-0.440
C4	0.724	-1.691
C5	-0.724	-1.691
H6	2.359	-0.202
H7	-2.359	-0.202
H8	1.319	-2.609
H9	-1.319	-2.609

	Se1	C2	C3	C4	C5	H6	H7	H8	H9
Se1		1.8761	1.8761	2.7078	2.7078	2.6110	2.6110	3.7654	3.7654
C2	1.8761		2.5887	1.3748	2.3748	1.0907	3.6608	2.1689	3.3958
C3	1.8761	2.5887		2.3748	1.3748	3.6608	1.0907	3.3958	2.1689
C4	2.7078	1.3748	2.3748		1.4485	2.2113	3.4238	1.0935	2.2396
C5	2.7078	2.3748	1.3748	1.4485		3.4238	2.2113	2.2396	1.0935
H6	2.6110	1.0907	3.6608	2.2113	3.4238		4.7173	2.6222	4.3952
H7	2.6110	3.6608	1.0907	3.4238	2.2113	4.7173		4.3952	2.6222
H8	3.7654	2.1689	3.3958	1.0935	2.2396	2.6222	4.3952		2.6375
H9	3.7654	3.3958	2.1689	2.2396	1.0935	4.3952	2.6222	2.6375

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Se1	C2	C4	111.879	Se1	C2	H6	120.997
Se1	C3	C5	111.879	Se1	C3	H7	120.997
C2	Se1	C3	87.245	C2	C4	C5	114.499
C2	C4	H8	122.565	C3	C5	C4	114.499
C3	C5	H9	122.565	C4	C2	H6	127.124
C4	C5	H9	122.936	C5	C3	H7	127.124
C5	C4	H8	122.936

All results from a given calculation for C₄H₄Se (selenophene)

using model chemistry: CCSD/aug-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/aug-cc-pVDZ

States and conformations

All results from a given calculation for C₄H₄Se (selenophene)