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	hartrees
Energy at 0K	-2555.975534
Energy at 298.15K
HF Energy	-2555.560281
Nuclear repulsion energy	312.333113

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3263	3263	1.65
2	A₁	3219	3219	4.33
3	A₁	1456	1456	14.51
4	A₁	1377	1377	3.92
5	A₁	1105	1105	2.56
6	A₁	1043	1043	2.94
7	A₁	780	780	19.60
8	A₁	465	465	0.02
9	A₂	932	932	0.00
10	A₂	691	691	0.00
11	A₂	554	554	0.00
12	B₁	896	896	0.11
13	B₁	715	715	127.64
14	B₁	407	407	2.31
15	B₂	3260	3260	0.03
16	B₂	3205	3205	2.99
17	B₂	1549	1549	0.45
18	B₂	1275	1275	18.32
19	B₂	1105	1105	1.22
20	B₂	837	837	0.96
21	B₂	640	640	0.96

Atom	y (Å)	z (Å)
Se1	0.000	0.908
C2	1.285	-0.437
C3	-1.285	-0.437
C4	0.712	-1.673
C5	-0.712	-1.673
H6	2.334	-0.197
H7	-2.334	-0.197
H8	1.297	-2.581
H9	-1.297	-2.581

	Se1	C2	C3	C4	C5	H6	H7	H8	H9
Se1		1.8597	1.8597	2.6772	2.6772	2.5824	2.5824	3.7219	3.7219
C2	1.8597		2.5695	1.3624	2.3484	1.0762	3.6266	2.1439	3.3559
C3	1.8597	2.5695		2.3484	1.3624	3.6266	1.0762	3.3559	2.1439
C4	2.6772	1.3624	2.3484		1.4240	2.1928	3.3846	1.0800	2.2047
C5	2.6772	2.3484	1.3624	1.4240		3.3846	2.1928	2.2047	1.0800
H6	2.5824	1.0762	3.6266	2.1928	3.3846		4.6680	2.5991	4.3434
H7	2.5824	3.6266	1.0762	3.3846	2.1928	4.6680		4.3434	2.5991
H8	3.7219	2.1439	3.3559	1.0800	2.2047	2.5991	4.3434		2.5942
H9	3.7219	3.3559	2.1439	2.2047	1.0800	4.3434	2.5991	2.5942

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Se1	C2	C4	111.446	Se1	C2	H6	120.838
Se1	C3	C5	111.446	Se1	C3	H7	120.838
C2	Se1	C3	87.390	C2	C4	C5	114.859
C2	C4	H8	122.337	C3	C5	C4	114.859
C3	C5	H9	122.337	C4	C2	H6	127.716
C4	C5	H9	122.804	C5	C3	H7	127.716
C5	C4	H8	122.804

All results from a given calculation for C₄H₄Se (selenophene)

using model chemistry: B2PLYP=FULLultrafine/6-311+G(3df,2p)

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/6-311+G(3df,2p)

States and conformations

All results from a given calculation for C₄H₄Se (selenophene)