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	hartrees
Energy at 0K	-2554.934019
Energy at 298.15K	-2554.936498
HF Energy	-2553.625094
Nuclear repulsion energy	314.313561

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3282	3094	1.93
2	A₁	3246	3060	1.86
3	A₁	1455	1372	11.08
4	A₁	1370	1292	5.24
5	A₁	1097	1034	2.17
6	A₁	1056	995	4.86
7	A₁	807	761	19.89
8	A₁	472	445	0.01
9	A₂	916	863	0.00
10	A₂	677	638	0.00
11	A₂	552	521	0.00
12	B₁	877	826	0.27
13	B₁	715	675	128.66
14	B₁	412	388	3.19
15	B₂	3279	3091	0.22
16	B₂	3232	3046	2.32
17	B₂	1522	1435	0.36
18	B₂	1267	1194	17.57
19	B₂	1095	1032	1.70
20	B₂	834	786	0.60
21	B₂	669	631	1.25

Atom	y (Å)	z (Å)
Se1	0.000	0.899
C2	1.277	-0.421
C3	-1.277	-0.421
C4	0.706	-1.668
C5	-0.706	-1.668
H6	2.327	-0.179
H7	-2.327	-0.179
H8	1.299	-2.571
H9	-1.299	-2.571

	Se1	C2	C3	C4	C5	H6	H7	H8	H9
Se1		1.8372	1.8372	2.6632	2.6632	2.5646	2.5646	3.7060	3.7060
C2	1.8372		2.5541	1.3714	2.3428	1.0773	3.6119	2.1502	3.3555
C3	1.8372	2.5541		2.3428	1.3714	3.6119	1.0773	3.3555	2.1502
C4	2.6632	1.3714	2.3428		1.4125	2.2009	3.3789	1.0803	2.1993
C5	2.6632	2.3428	1.3714	1.4125		3.3789	2.2009	2.1993	1.0803
H6	2.5646	1.0773	3.6119	2.2009	3.3789		4.6535	2.6037	4.3439
H7	2.5646	3.6119	1.0773	3.3789	2.2009	4.6535		4.3439	2.6037
H8	3.7060	2.1502	3.3555	1.0803	2.1993	2.6037	4.3439		2.5982
H9	3.7060	3.3555	2.1502	2.1993	1.0803	4.3439	2.6037	2.5982

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Se1	C2	C4	111.369	Se1	C2	H6	121.040
Se1	C3	C5	111.369	Se1	C3	H7	121.040
C2	Se1	C3	88.071	C2	C4	C5	114.595
C2	C4	H8	122.121	C3	C5	C4	114.595
C3	C5	H9	122.121	C4	C2	H6	127.591
C4	C5	H9	123.284	C5	C3	H7	127.591
C5	C4	H8	123.284

All results from a given calculation for C₄H₄Se (selenophene)

using model chemistry: MP2=FULL/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: MP2=FULL/6-311+G(3df,2p)

States and conformations

All results from a given calculation for C₄H₄Se (selenophene)