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	hartrees
Energy at 0K	-2554.587258
Energy at 298.15K	-2554.589499
HF Energy	-2553.654235
Nuclear repulsion energy	311.073421

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3288	3115	2.36
2	A₁	3245	3075	6.09
3	A₁	1497	1418	24.44
4	A₁	1409	1335	1.27
5	A₁	1128	1069	3.61
6	A₁	1044	989	0.95
7	A₁	775	735	24.03
8	A₁	462	438	0.13
9	A₂	760	720	0.00
10	A₂	648	614	0.00
11	A₂	404	383	0.00
12	B₁	847	803	0.44
13	B₁	700	664	134.71
14	B₁	386	366	1.55
15	B₂	3285	3113	1.36
16	B₂	3231	3062	4.08
17	B₂	1602	1518	0.46
18	B₂	1307	1238	20.37
19	B₂	1132	1073	0.74
20	B₂	846	802	1.06
21	B₂	636	603	0.49

Atom	y (Å)	z (Å)
Se1	0.000	0.914
C2	1.286	-0.446
C3	-1.286	-0.446
C4	0.718	-1.678
C5	-0.718	-1.678
H6	2.338	-0.212
H7	-2.338	-0.212
H8	1.301	-2.588
H9	-1.301	-2.588

	Se1	C2	C3	C4	C5	H6	H7	H8	H9
Se1		1.8714	1.8714	2.6896	2.6896	2.5949	2.5949	3.7363	3.7363
C2	1.8714		2.5717	1.3566	2.3527	1.0777	3.6312	2.1429	3.3592
C3	1.8714	2.5717		2.3527	1.3566	3.6312	1.0777	3.3592	2.1429
C4	2.6896	1.3566	2.3527		1.4367	2.1844	3.3896	1.0811	2.2153
C5	2.6896	2.3527	1.3566	1.4367		3.3896	2.1844	2.2153	1.0811
H6	2.5949	1.0777	3.6312	2.1844	3.3896		4.6757	2.5927	4.3462
H7	2.5949	3.6312	1.0777	3.3896	2.1844	4.6757		4.3462	2.5927
H8	3.7363	2.1429	3.3592	1.0811	2.2153	2.5927	4.3462		2.6023
H9	3.7363	3.3592	2.1429	2.2153	1.0811	4.3462	2.5927	2.6023

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Se1	C2	C4	111.871	Se1	C2	H6	120.879
Se1	C3	C5	111.871	Se1	C3	H7	120.879
C2	Se1	C3	86.802	C2	C4	C5	114.728
C2	C4	H8	122.653	C3	C5	C4	114.728
C3	C5	H9	122.653	C4	C2	H6	127.249
C4	C5	H9	122.620	C5	C3	H7	127.249
C5	C4	H8	122.620

All results from a given calculation for C₄H₄Se (selenophene)

using model chemistry: CCSD=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: CCSD=FULL/TZVP

States and conformations

All results from a given calculation for C₄H₄Se (selenophene)