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	hartrees
Energy at 0K	-2554.428185
Energy at 298.15K	-2554.430866
HF Energy	-2553.710476
Nuclear repulsion energy	314.755450

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3373	3125	2.76
2	A₁	3332	3087	3.79
3	A₁	1547	1433	27.12
4	A₁	1456	1349	0.71
5	A₁	1155	1070	4.15
6	A₁	1076	997	1.19
7	A₁	817	757	25.08
8	A₁	487	451	0.06
9	A₂	1006	932	0.00
10	A₂	762	706	0.00
11	A₂	581	538	0.00
12	B₁	984	912	0.13
13	B₁	767	711	129.33
14	B₁	423	392	1.36
15	B₂	3370	3122	0.27
16	B₂	3317	3073	3.87
17	B₂	1667	1545	0.06
18	B₂	1347	1248	16.62
19	B₂	1161	1076	0.73
20	B₂	876	812	1.66
21	B₂	683	633	0.67

Atom	y (Å)	z (Å)
Se1	0.000	0.900
C2	1.274	-0.433
C3	-1.274	-0.433
C4	0.714	-1.657
C5	-0.714	-1.657
H6	2.319	-0.205
H7	-2.319	-0.205
H8	1.295	-2.559
H9	-1.295	-2.559

	Se1	C2	C3	C4	C5	H6	H7	H8	H9
Se1		1.8443	1.8443	2.6552	2.6552	2.5690	2.5690	3.6936	3.6936
C2	1.8443		2.5487	1.3462	2.3353	1.0690	3.6004	2.1262	3.3346
C3	1.8443	2.5487		2.3353	1.3462	3.6004	1.0690	3.3346	2.1262
C4	2.6552	1.3462	2.3353		1.4288	2.1637	3.3627	1.0724	2.2022
C5	2.6552	2.3353	1.3462	1.4288		3.3627	2.1637	2.2022	1.0724
H6	2.5690	1.0690	3.6004	2.1637	3.3627		4.6377	2.5668	4.3123
H7	2.5690	3.6004	1.0690	3.3627	2.1637	4.6377		4.3123	2.5668
H8	3.6936	2.1262	3.3346	1.0724	2.2022	2.5668	4.3123		2.5891
H9	3.6936	3.3346	2.1262	2.2022	1.0724	4.3123	2.5668	2.5891

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Se1	C2	C4	111.711	Se1	C2	H6	121.425
Se1	C3	C5	111.711	Se1	C3	H7	121.425
C2	Se1	C3	87.417	C2	C4	C5	114.580
C2	C4	H8	122.670	C3	C5	C4	114.580
C3	C5	H9	122.670	C4	C2	H6	126.864
C4	C5	H9	122.750	C5	C3	H7	126.864
C5	C4	H8	122.750

All results from a given calculation for C₄H₄Se (selenophene)

using model chemistry: CID/cc-pVTZ

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: CID/cc-pVTZ

States and conformations

All results from a given calculation for C₄H₄Se (selenophene)