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	hartrees
Energy at 0K	-2552.333716
Energy at 298.15K	-2552.336279
HF Energy	-2551.546703
Nuclear repulsion energy	313.589488

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3302	3128	2.34
2	A₁	3255	3084	3.56
3	A₁	1489	1410	18.11
4	A₁	1406	1332	0.10
5	A₁	1121	1062	3.58
6	A₁	1048	993	0.96
7	A₁	812	769	19.39
8	A₁	482	457	0.00
9	A₂	956	906	0.00
10	A₂	732	694	0.00
11	A₂	559	529	0.00
12	B₁	934	885	0.25
13	B₁	748	709	97.67
14	B₁	411	389	1.44
15	B₂	3299	3125	0.09
16	B₂	3240	3070	3.81
17	B₂	1595	1511	0.01
18	B₂	1293	1225	15.09
19	B₂	1126	1067	0.68
20	B₂	846	802	0.94
21	B₂	680	645	0.38

Atom	y (Å)	z (Å)
Se1	0.000	0.901
C2	1.282	-0.426
C3	-1.282	-0.426
C4	0.718	-1.665
C5	-0.718	-1.665
H6	2.335	-0.193
H7	-2.335	-0.193
H8	1.302	-2.576
H9	-1.302	-2.576

	Se1	C2	C3	C4	C5	H6	H7	H8	H9
Se1		1.8445	1.8445	2.6642	2.6642	2.5785	2.5785	3.7127	3.7127
C2	1.8445		2.5630	1.3612	2.3522	1.0786	3.6238	2.1503	3.3615
C3	1.8445	2.5630		2.3522	1.3612	3.6238	1.0786	3.3615	2.1503
C4	2.6642	1.3612	2.3522		1.4359	2.1861	3.3888	1.0825	2.2162
C5	2.6642	2.3522	1.3612	1.4359		3.3888	2.1861	2.2162	1.0825
H6	2.5785	1.0786	3.6238	2.1861	3.3888		4.6696	2.5967	4.3480
H7	2.5785	3.6238	1.0786	3.3888	2.1861	4.6696		4.3480	2.5967
H8	3.7127	2.1503	3.3615	1.0825	2.2162	2.5967	4.3480		2.6046
H9	3.7127	3.3615	2.1503	2.2162	1.0825	4.3480	2.5967	2.6046

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Se1	C2	C4	111.532	Se1	C2	H6	121.573
Se1	C3	C5	111.532	Se1	C3	H7	121.573
C2	Se1	C3	88.020	C2	C4	C5	114.458
C2	C4	H8	122.870	C3	C5	C4	114.458
C3	C5	H9	122.870	C4	C2	H6	126.895
C4	C5	H9	122.672	C5	C3	H7	126.895
C5	C4	H8	122.672

All results from a given calculation for C₄H₄Se (selenophene)

using model chemistry: QCISD/6-31G(2df,p)

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: QCISD/6-31G(2df,p)

States and conformations

All results from a given calculation for C₄H₄Se (selenophene)