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	hartrees
Energy at 0K	-2542.091076
Energy at 298.15K	-2542.093511
HF Energy	-2541.604479
Nuclear repulsion energy	308.074532

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3274	3114	3.60
2	A₁	3232	3074	2.60
3	A₁	1417	1348	7.13
4	A₁	1388	1320	11.40
5	A₁	1160	1103	5.65
6	A₁	1027	977	1.15
7	A₁	786	747	23.60
8	A₁	473	450	0.34
9	A₂	861	819	0.00
10	A₂	690	656	0.00
11	A₂	551	524	0.00
12	B₁	864	822	0.00
13	B₁	713	679	138.13
14	B₁	403	383	2.38
15	B₂	3269	3110	0.63
16	B₂	3216	3060	2.81
17	B₂	1521	1446	0.34
18	B₂	1317	1253	25.16
19	B₂	1149	1093	1.24
20	B₂	874	832	0.10
21	B₂	640	609	0.05

Atom	y (Å)	z (Å)
Se1	0.000	0.922
C2	1.301	-0.447
C3	-1.301	-0.447
C4	0.722	-1.698
C5	-0.722	-1.698
H6	2.355	-0.203
H7	-2.355	-0.203
H8	1.309	-2.610
H9	-1.309	-2.610

	Se1	C2	C3	C4	C5	H6	H7	H8	H9
Se1		1.8888	1.8888	2.7176	2.7176	2.6105	2.6105	3.7671	3.7671
C2	1.8888		2.6019	1.3784	2.3782	1.0820	3.6643	2.1630	3.3900
C3	1.8888	2.6019		2.3782	1.3784	3.6643	1.0820	3.3900	2.1630
C4	2.7176	1.3784	2.3782		1.4434	2.2138	3.4205	1.0851	2.2264
C5	2.7176	2.3782	1.3784	1.4434		3.4205	2.2138	2.2264	1.0851
H6	2.6105	1.0820	3.6643	2.2138	3.4205		4.7104	2.6239	4.3840
H7	2.6105	3.6643	1.0820	3.4205	2.2138	4.7104		4.3840	2.6239
H8	3.7671	2.1630	3.3900	1.0851	2.2264	2.6239	4.3840		2.6185
H9	3.7671	3.3900	2.1630	2.2264	1.0851	4.3840	2.6239	2.6185

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Se1	C2	C4	111.615	Se1	C2	H6	120.534
Se1	C3	C5	111.615	Se1	C3	H7	120.534
C2	Se1	C3	87.070	C2	C4	C5	114.850
C2	C4	H8	122.365	C3	C5	C4	114.850
C3	C5	H9	122.365	C4	C2	H6	127.851
C4	C5	H9	122.785	C5	C3	H7	127.851
C5	C4	H8	122.785

All results from a given calculation for C₄H₄Se (selenophene)

using model chemistry: MP2/3-21G*

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: MP2/3-21G*

States and conformations

All results from a given calculation for C₄H₄Se (selenophene)