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	hartrees
Energy at 0K	-2554.922994
Energy at 298.15K	-2554.925506
HF Energy	-2553.626872
Nuclear repulsion energy	313.061170

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3282	3282	2.00
2	A₁	3243	3243	3.99
3	A₁	1495	1495	22.54
4	A₁	1402	1402	1.29
5	A₁	1113	1113	3.09
6	A₁	1047	1047	1.42
7	A₁	791	791	21.86
8	A₁	471	471	0.02
9	A₂	944	944	0.00
10	A₂	715	715	0.00
11	A₂	549	549	0.00
12	B₁	923	923	0.00
13	B₁	726	726	123.06
14	B₁	407	407	1.70
15	B₂	3279	3279	0.21
16	B₂	3228	3228	3.04
17	B₂	1594	1594	0.46
18	B₂	1294	1294	15.89
19	B₂	1117	1117	0.72
20	B₂	838	838	1.05
21	B₂	658	658	0.71

Atom	y (Å)	z (Å)
Se1	0.000	0.905
C2	1.280	-0.435
C3	-1.280	-0.435
C4	0.716	-1.668
C5	-0.716	-1.668
H6	2.331	-0.201
H7	-2.331	-0.201
H8	1.301	-2.575
H9	-1.301	-2.575

	Se1	C2	C3	C4	C5	H6	H7	H8	H9
Se1		1.8533	1.8533	2.6709	2.6709	2.5803	2.5803	3.7158	3.7158
C2	1.8533		2.5608	1.3565	2.3463	1.0765	3.6192	2.1407	3.3535
C3	1.8533	2.5608		2.3463	1.3565	3.6192	1.0765	3.3535	2.1407
C4	2.6709	1.3565	2.3463		1.4311	2.1825	3.3816	1.0798	2.2112
C5	2.6709	2.3463	1.3565	1.4311		3.3816	2.1825	2.2112	1.0798
H6	2.5803	1.0765	3.6192	2.1825	3.3816		4.6625	2.5884	4.3395
H7	2.5803	3.6192	1.0765	3.3816	2.1825	4.6625		4.3395	2.5884
H8	3.7158	2.1407	3.3535	1.0798	2.2112	2.5884	4.3395		2.6020
H9	3.7158	3.3535	2.1407	2.2112	1.0798	4.3395	2.5884	2.6020

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Se1	C2	C4	111.694	Se1	C2	H6	121.152
Se1	C3	C5	111.694	Se1	C3	H7	121.152
C2	Se1	C3	87.398	C2	C4	C5	114.607
C2	C4	H8	122.561	C3	C5	C4	114.607
C3	C5	H9	122.561	C4	C2	H6	127.154
C4	C5	H9	122.832	C5	C3	H7	127.154
C5	C4	H8	122.832

All results from a given calculation for C₄H₄Se (selenophene)

using model chemistry: CCSD=FULL/6-311+G(3df,2p)

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=FULL/6-311+G(3df,2p)

States and conformations

All results from a given calculation for C₄H₄Se (selenophene)