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	hartrees
Energy at 0K	-2554.318545
Energy at 298.15K	-2554.320986
HF Energy	-2553.598447
Nuclear repulsion energy	309.479046

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3271	3155	2.44
2	A₁	3235	3120	4.84
3	A₁	1483	1430	24.63
4	A₁	1386	1337	2.31
5	A₁	1096	1057	2.67
6	A₁	1036	1000	1.27
7	A₁	777	750	23.33
8	A₁	464	448	0.12
9	A₂	898	866	0.00
10	A₂	692	667	0.00
11	A₂	537	518	0.00
12	B₁	889	857	0.05
13	B₁	714	688	124.95
14	B₁	396	382	1.75
15	B₂	3268	3152	1.11
16	B₂	3221	3107	3.34
17	B₂	1578	1522	1.00
18	B₂	1277	1232	17.42
19	B₂	1098	1059	0.36
20	B₂	836	806	0.84
21	B₂	645	622	0.49

Atom	y (Å)	z (Å)
Se1	0.000	0.916
C2	1.293	-0.439
C3	-1.293	-0.439
C4	0.723	-1.690
C5	-0.723	-1.690
H6	2.357	-0.200
H7	-2.357	-0.200
H8	1.319	-2.607
H9	-1.319	-2.607

	Se1	C2	C3	C4	C5	H6	H7	H8	H9
Se1		1.8727	1.8727	2.7047	2.7047	2.6081	2.6081	3.7619	3.7619
C2	1.8727		2.5854	1.3746	2.3727	1.0905	3.6573	2.1683	3.3941
C3	1.8727	2.5854		2.3727	1.3746	3.6573	1.0905	3.3941	2.1683
C4	2.7047	1.3746	2.3727		1.4467	2.2105	3.4214	1.0933	2.2384
C5	2.7047	2.3727	1.3746	1.4467		3.4214	2.2105	2.2384	1.0933
H6	2.6081	1.0905	3.6573	2.2105	3.4214		4.7137	2.6208	4.3931
H7	2.6081	3.6573	1.0905	3.4214	2.2105	4.7137		4.3931	2.6208
H8	3.7619	2.1683	3.3941	1.0933	2.2384	2.6208	4.3931		2.6371
H9	3.7619	3.3941	2.1683	2.2384	1.0933	4.3931	2.6208	2.6371

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Se1	C2	C4	111.880	Se1	C2	H6	121.034
Se1	C3	C5	111.880	Se1	C3	H7	121.034
C2	Se1	C3	87.303	C2	C4	C5	114.468
C2	C4	H8	122.548	C3	C5	C4	114.468
C3	C5	H9	122.548	C4	C2	H6	127.086
C4	C5	H9	122.984	C5	C3	H7	127.086
C5	C4	H8	122.984

All results from a given calculation for C₄H₄Se (selenophene)

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

States and conformations

All results from a given calculation for C₄H₄Se (selenophene)