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	hartrees
Energy at 0K	-2551.484645
Energy at 298.15K	-2551.487051
HF Energy	-2551.071440
Nuclear repulsion energy	305.469870

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3292	3150	2.26
2	A₁	3233	3093	9.27
3	A₁	1454	1392	19.29
4	A₁	1400	1339	4.33
5	A₁	1150	1101	4.64
6	A₁	1045	999	1.82
7	A₁	748	715	22.32
8	A₁	459	439	0.90
9	A₂	894	855	0.00
10	A₂	715	684	0.00
11	A₂	554	530	0.00
12	B₁	903	864	3.93
13	B₁	733	701	150.92
14	B₁	389	372	1.29
15	B₂	3288	3146	2.42
16	B₂	3216	3077	5.38
17	B₂	1545	1478	0.00
18	B₂	1324	1267	24.80
19	B₂	1141	1092	0.89
20	B₂	859	822	0.32
21	B₂	584	559	0.05

Atom	y (Å)	z (Å)
Se1	0.000	0.934
C2	1.310	-0.460
C3	-1.310	-0.460
C4	0.723	-1.710
C5	-0.723	-1.710
H6	2.370	-0.234
H7	-2.370	-0.234
H8	1.314	-2.624
H9	-1.314	-2.624

	Se1	C2	C3	C4	C5	H6	H7	H8	H9
Se1		1.9127	1.9127	2.7415	2.7415	2.6425	2.6425	3.7935	3.7935
C2	1.9127		2.6195	1.3812	2.3868	1.0841	3.6868	2.1646	3.4016
C3	1.9127	2.6195		2.3868	1.3812	3.6868	1.0841	3.4016	2.1646
C4	2.7415	1.3812	2.3868		1.4465	2.2115	3.4274	1.0886	2.2332
C5	2.7415	2.3868	1.3812	1.4465		3.4274	2.2115	2.2332	1.0886
H6	2.6425	1.0841	3.6868	2.2115	3.4274		4.7402	2.6129	4.3918
H7	2.6425	3.6868	1.0841	3.4274	2.2115	4.7402		4.3918	2.6129
H8	3.7935	2.1646	3.4016	1.0886	2.2332	2.6129	4.3918		2.6286
H9	3.7935	3.4016	2.1646	2.2332	1.0886	4.3918	2.6129	2.6286

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Se1	C2	C4	111.653	Se1	C2	H6	121.212
Se1	C3	C5	111.653	Se1	C3	H7	121.212
C2	Se1	C3	86.434	C2	C4	C5	115.129
C2	C4	H8	121.984	C3	C5	C4	115.129
C3	C5	H9	121.984	C4	C2	H6	127.135
C4	C5	H9	122.886	C5	C3	H7	127.135
C5	C4	H8	122.886

All results from a given calculation for C₄H₄Se (selenophene)

using model chemistry: MP2/6-31G

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: MP2/6-31G

States and conformations

All results from a given calculation for C₄H₄Se (selenophene)