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	hartrees
Energy at 0K	-2525.733886
Energy at 298.15K	-2525.736216
HF Energy	-2525.457670
Nuclear repulsion energy	307.379679

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3551	3096	0.40
2	A₁	3528	3076	8.08
3	A₁	1555	1356	24.43
4	A₁	1511	1318	0.04
5	A₁	1188	1036	2.03
6	A₁	1087	948	1.13
7	A₁	834	727	18.10
8	A₁	506	442	0.76
9	A₂	1002	874	0.00
10	A₂	789	688	0.00
11	A₂	584	509	0.00
12	B₁	995	868	0.11
13	B₁	764	666	23.90
14	B₁	412	360	0.03
15	B₂	3544	3090	6.85
16	B₂	3521	3070	1.66
17	B₂	1668	1455	0.24
18	B₂	1386	1208	10.41
19	B₂	1196	1042	0.01
20	B₂	914	797	0.38
21	B₂	685	597	1.08

Atom	y (Å)	z (Å)
Se1	0.000	0.925
C2	1.296	-0.444
C3	-1.296	-0.444
C4	0.734	-1.701
C5	-0.734	-1.701
H6	2.370	-0.219
H7	-2.370	-0.219
H8	1.328	-2.626
H9	-1.328	-2.626

	Se1	C2	C3	C4	C5	H6	H7	H8	H9
Se1		1.8853	1.8853	2.7264	2.7264	2.6318	2.6318	3.7905	3.7905
C2	1.8853		2.5928	1.3772	2.3878	1.0975	3.6738	2.1819	3.4125
C3	1.8853	2.5928		2.3878	1.3772	3.6738	1.0975	3.4125	2.1819
C4	2.7264	1.3772	2.3878		1.4675	2.2083	3.4401	1.0989	2.2592
C5	2.7264	2.3878	1.3772	1.4675		3.4401	2.2083	2.2592	1.0989
H6	2.6318	1.0975	3.6738	2.2083	3.4401		4.7409	2.6234	4.4125
H7	2.6318	3.6738	1.0975	3.4401	2.2083	4.7409		4.4125	2.6234
H8	3.7905	2.1819	3.4125	1.0989	2.2592	2.6234	4.4125		2.6552
H9	3.7905	3.4125	2.1819	2.2592	1.0989	4.4125	2.6234	2.6552

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Se1	C2	C4	112.443	Se1	C2	H6	121.587
Se1	C3	C5	112.443	Se1	C3	H7	121.587
C2	Se1	C3	86.889	C2	C4	C5	114.113
C2	C4	H8	123.178	C3	C5	C4	114.113
C3	C5	H9	123.178	C4	C2	H6	125.970
C4	C5	H9	122.710	C5	C3	H7	125.970
C5	C4	H8	122.710

All results from a given calculation for C₄H₄Se (selenophene)

using model chemistry: MP2/STO-3G

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: MP2/STO-3G

States and conformations

All results from a given calculation for C₄H₄Se (selenophene)