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	hartrees
Energy at 0K	-2554.311509
Energy at 298.15K	-2554.313931
HF Energy	-2553.600217
Nuclear repulsion energy	310.331029

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3269	3269	2.89
2	A₁	3229	3229	6.36
3	A₁	1492	1492	23.20
4	A₁	1396	1396	0.83
5	A₁	1113	1113	3.51
6	A₁	1039	1039	0.89
7	A₁	776	776	22.70
8	A₁	463	463	0.12
9	A₂	881	881	0.00
10	A₂	697	697	0.00
11	A₂	523	523	0.00
12	B₁	886	886	0.04
13	B₁	713	713	125.07
14	B₁	393	393	1.87
15	B₂	3266	3266	1.99
16	B₂	3215	3215	4.36
17	B₂	1593	1593	0.12
18	B₂	1286	1286	18.70
19	B₂	1118	1118	0.58
20	B₂	843	843	0.99
21	B₂	641	641	0.50

Atom	y (Å)	z (Å)
Se1	0.000	0.915
C2	1.290	-0.443
C3	-1.290	-0.443
C4	0.721	-1.683
C5	-0.721	-1.683
H6	2.345	-0.205
H7	-2.345	-0.205
H8	1.308	-2.596
H9	-1.308	-2.596

	Se1	C2	C3	C4	C5	H6	H7	H8	H9
Se1		1.8724	1.8724	2.6964	2.6964	2.5992	2.5992	3.7471	3.7471
C2	1.8724		2.5790	1.3643	2.3628	1.0823	3.6427	2.1537	3.3745
C3	1.8724	2.5790		2.3628	1.3643	3.6427	1.0823	3.3745	2.1537
C4	2.6964	1.3643	2.3628		1.4429	2.1958	3.4044	1.0856	2.2258
C5	2.6964	2.3628	1.3643	1.4429		3.4044	2.1958	2.2258	1.0856
H6	2.5992	1.0823	3.6427	2.1958	3.4044		4.6908	2.6063	4.3667
H7	2.5992	3.6427	1.0823	3.4044	2.1958	4.6908		4.3667	2.6063
H8	3.7471	2.1537	3.3745	1.0856	2.2258	2.6063	4.3667		2.6169
H9	3.7471	3.3745	2.1537	2.2258	1.0856	4.3667	2.6063	2.6169

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Se1	C2	C4	111.869	Se1	C2	H6	120.850
Se1	C3	C5	111.869	Se1	C3	H7	120.850
C2	Se1	C3	87.051	C2	C4	C5	114.605
C2	C4	H8	122.663	C3	C5	C4	114.605
C3	C5	H9	122.663	C4	C2	H6	127.281
C4	C5	H9	122.732	C5	C3	H7	127.281
C5	C4	H8	122.732

All results from a given calculation for C₄H₄Se (selenophene)

using model chemistry: CCSD/6-311G**

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: CCSD/6-311G**

States and conformations

All results from a given calculation for C₄H₄Se (selenophene)