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	hartrees
Energy at 0K	-2543.483980
Energy at 298.15K	-2543.486569
HF Energy	-2543.338991
Nuclear repulsion energy	307.663143

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3309	3150	1.87
2	A₁	3253	3096	3.83
3	A₁	1460	1390	20.34
4	A₁	1417	1349	1.04
5	A₁	1157	1102	4.08
6	A₁	1029	979	1.48
7	A₁	780	743	20.92
8	A₁	481	458	0.18
9	A₂	1006	958	0.00
10	A₂	757	721	0.00
11	A₂	593	564	0.00
12	B₁	971	924	4.20
13	B₁	757	721	156.07
14	B₁	416	396	1.80
15	B₂	3304	3146	0.57
16	B₂	3238	3082	3.70
17	B₂	1574	1499	0.06
18	B₂	1340	1275	20.93
19	B₂	1148	1093	2.00
20	B₂	877	835	0.92
21	B₂	618	588	0.30

Atom	y (Å)	z (Å)
Se1	0.000	0.929
C2	1.298	-0.462
C3	-1.298	-0.462
C4	0.721	-1.695
C5	-0.721	-1.695
H6	2.352	-0.244
H7	-2.352	-0.244
H8	1.302	-2.607
H9	-1.302	-2.607

	Se1	C2	C3	C4	C5	H6	H7	H8	H9
Se1		1.9024	1.9024	2.7215	2.7215	2.6281	2.6281	3.7678	3.7678
C2	1.9024		2.5961	1.3621	2.3658	1.0764	3.6567	2.1451	3.3706
C3	1.9024	2.5961		2.3658	1.3621	3.6567	1.0764	3.3706	2.1451
C4	2.7215	1.3621	2.3658		1.4413	2.1839	3.3985	1.0810	2.2184
C5	2.7215	2.3658	1.3621	1.4413		3.3985	2.1839	2.2184	1.0810
H6	2.6281	1.0764	3.6567	2.1839	3.3985		4.7042	2.5861	4.3516
H7	2.6281	3.6567	1.0764	3.3985	2.1839	4.7042		4.3516	2.5861
H8	3.7678	2.1451	3.3706	1.0810	2.2184	2.5861	4.3516		2.6038
H9	3.7678	3.3706	2.1451	2.2184	1.0810	4.3516	2.5861	2.6038

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Se1	C2	C4	111.891	Se1	C2	H6	121.332
Se1	C3	C5	111.891	Se1	C3	H7	121.332
C2	Se1	C3	86.054	C2	C4	C5	115.082
C2	C4	H8	122.391	C3	C5	C4	115.082
C3	C5	H9	122.391	C4	C2	H6	126.778
C4	C5	H9	122.527	C5	C3	H7	126.778
C5	C4	H8	122.527

All results from a given calculation for C₄H₄Se (selenophene)

using model chemistry: B2PLYP=FULL/3-21G

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=FULL/3-21G

States and conformations

All results from a given calculation for C₄H₄Se (selenophene)