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	hartrees
Energy at 0K	-2555.979159
Energy at 298.15K
HF Energy	-2555.645538
Nuclear repulsion energy	312.473456

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3262	3262	1.73
2	A₁	3218	3218	4.51
3	A₁	1458	1458	14.74
4	A₁	1379	1379	3.85
5	A₁	1101	1101	2.52
6	A₁	1043	1043	2.86
7	A₁	781	781	19.24
8	A₁	465	465	0.01
9	A₂	954	954	0.00
10	A₂	699	699	0.00
11	A₂	566	566	0.00
12	B₁	915	915	0.40
13	B₁	726	726	126.12
14	B₁	408	408	2.30
15	B₂	3258	3258	0.07
16	B₂	3203	3203	3.03
17	B₂	1554	1554	0.55
18	B₂	1277	1277	18.22
19	B₂	1102	1102	1.11
20	B₂	843	843	1.05
21	B₂	640	640	0.98

Atom	y (Å)	z (Å)
Se1	0.000	0.908
C2	1.284	-0.437
C3	-1.284	-0.437
C4	0.712	-1.672
C5	-0.712	-1.672
H6	2.333	-0.200
H7	-2.333	-0.200
H8	1.296	-2.579
H9	-1.296	-2.579

	Se1	C2	C3	C4	C5	H6	H7	H8	H9
Se1		1.8591	1.8591	2.6762	2.6762	2.5825	2.5825	3.7198	3.7198
C2	1.8591		2.5678	1.3614	2.3469	1.0752	3.6244	2.1421	3.3535
C3	1.8591	2.5678		2.3469	1.3614	3.6244	1.0752	3.3535	2.1421
C4	2.6762	1.3614	2.3469		1.4232	2.1896	3.3815	1.0790	2.2032
C5	2.6762	2.3469	1.3614	1.4232		3.3815	2.1896	2.2032	1.0790
H6	2.5825	1.0752	3.6244	2.1896	3.3815		4.6655	2.5946	4.3392
H7	2.5825	3.6244	1.0752	3.3815	2.1896	4.6655		4.3392	2.5946
H8	3.7198	2.1421	3.3535	1.0790	2.2032	2.5946	4.3392		2.5927
H9	3.7198	3.3535	2.1421	2.2032	1.0790	4.3392	2.5946	2.5927

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Se1	C2	C4	111.465	Se1	C2	H6	120.967
Se1	C3	C5	111.465	Se1	C3	H7	120.967
C2	Se1	C3	87.354	C2	C4	C5	114.858
C2	C4	H8	122.327	C3	C5	C4	114.858
C3	C5	H9	122.327	C4	C2	H6	127.568
C4	C5	H9	122.815	C5	C3	H7	127.568
C5	C4	H8	122.815

All results from a given calculation for C₄H₄Se (selenophene)

using model chemistry: B2PLYP=FULLultrafine/daug-cc-pVTZ

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: B2PLYP=FULLultrafine/daug-cc-pVTZ

States and conformations

All results from a given calculation for C₄H₄Se (selenophene)