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	hartrees
Energy at 0K	-2554.573196
Energy at 298.15K	-2554.575164
HF Energy	-2553.652953
Nuclear repulsion energy	312.470674

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3293	3137	2.13
2	A₁	3252	3098	3.51
3	A₁	1456	1387	14.51
4	A₁	1386	1321	6.15
5	A₁	1115	1062	4.10
6	A₁	1060	1010	3.33
7	A₁	792	754	23.35
8	A₁	465	443	0.02
9	A₂	708	674	0.00
10	A₂	598	569	0.00
11	A₂	232	221	0.00
12	B₁	781	744	0.37
13	B₁	684	652	144.05
14	B₁	385	367	3.31
15	B₂	3290	3135	0.02
16	B₂	3238	3085	3.34
17	B₂	1541	1468	0.22
18	B₂	1287	1226	22.30
19	B₂	1116	1063	1.83
20	B₂	844	804	0.63
21	B₂	649	618	0.77

Atom	y (Å)	z (Å)
Se1	0.000	0.908
C2	1.283	-0.433
C3	-1.283	-0.433
C4	0.709	-1.676
C5	-0.709	-1.676
H6	2.334	-0.194
H7	-2.334	-0.194
H8	1.299	-2.582
H9	-1.299	-2.582

	Se1	C2	C3	C4	C5	H6	H7	H8	H9
Se1		1.8551	1.8551	2.6791	2.6791	2.5804	2.5804	3.7236	3.7236
C2	1.8551		2.5651	1.3691	2.3479	1.0779	3.6241	2.1494	3.3594
C3	1.8551	2.5651		2.3479	1.3691	3.6241	1.0779	3.3594	2.1494
C4	2.6791	1.3691	2.3479		1.4183	2.1992	3.3847	1.0813	2.2034
C5	2.6791	2.3479	1.3691	1.4183		3.3847	2.1992	2.2034	1.0813
H6	2.5804	1.0779	3.6241	2.1992	3.3847		4.6673	2.6028	4.3478
H7	2.5804	3.6241	1.0779	3.3847	2.1992	4.6673		4.3478	2.6028
H8	3.7236	2.1494	3.3594	1.0813	2.2034	2.6028	4.3478		2.5988
H9	3.7236	3.3594	2.1494	2.2034	1.0813	4.3478	2.6028	2.5988

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Se1	C2	C4	111.501	Se1	C2	H6	120.921
Se1	C3	C5	111.501	Se1	C3	H7	120.921
C2	Se1	C3	87.480	C2	C4	C5	114.759
C2	C4	H8	122.159	C3	C5	C4	114.759
C3	C5	H9	122.159	C4	C2	H6	127.578
C4	C5	H9	123.082	C5	C3	H7	127.578
C5	C4	H8	123.082

All results from a given calculation for C₄H₄Se (selenophene)

using model chemistry: MP2=FULL/TZVP

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/TZVP

States and conformations

All results from a given calculation for C₄H₄Se (selenophene)