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	hartrees
Energy at 0K	-2554.313137
Energy at 298.15K	-2554.315551
HF Energy	-2553.600137
Nuclear repulsion energy	310.172043

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3266	3116	2.97
2	A₁	3227	3079	6.40
3	A₁	1491	1423	22.53
4	A₁	1394	1330	0.71
5	A₁	1112	1061	3.43
6	A₁	1037	989	0.91
7	A₁	773	738	21.86
8	A₁	462	441	0.11
9	A₂	879	839	0.00
10	A₂	696	664	0.00
11	A₂	523	499	0.00
12	B₁	884	844	0.03
13	B₁	711	679	125.03
14	B₁	392	374	1.88
15	B₂	3263	3114	2.06
16	B₂	3213	3065	4.57
17	B₂	1591	1518	0.15
18	B₂	1284	1226	18.84
19	B₂	1117	1065	0.59
20	B₂	841	803	1.01
21	B₂	638	609	0.49

Atom	y (Å)	z (Å)
Se1	0.000	0.916
C2	1.290	-0.443
C3	-1.290	-0.443
C4	0.722	-1.684
C5	-0.722	-1.684
H6	2.346	-0.205
H7	-2.346	-0.205
H8	1.309	-2.597
H9	-1.309	-2.597

	Se1	C2	C3	C4	C5	H6	H7	H8	H9
Se1		1.8738	1.8738	2.6976	2.6976	2.6002	2.6002	3.7486	3.7486
C2	1.8738		2.5806	1.3647	2.3637	1.0825	3.6444	2.1541	3.3755
C3	1.8738	2.5806		2.3637	1.3647	3.6444	1.0825	3.3755	2.1541
C4	2.6976	1.3647	2.3637		1.4434	2.1967	3.4057	1.0858	2.2263
C5	2.6976	2.3637	1.3647	1.4434		3.4057	2.1967	2.2263	1.0858
H6	2.6002	1.0825	3.6444	2.1967	3.4057		4.6926	2.6074	4.3681
H7	2.6002	3.6444	1.0825	3.4057	2.1967	4.6926		4.3681	2.6074
H8	3.7486	2.1541	3.3755	1.0858	2.2263	2.6074	4.3681		2.6172
H9	3.7486	3.3755	2.1541	2.2263	1.0858	4.3681	2.6074	2.6172

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Se1	C2	C4	111.854	Se1	C2	H6	120.820
Se1	C3	C5	111.854	Se1	C3	H7	120.820
C2	Se1	C3	87.042	C2	C4	C5	114.625
C2	C4	H8	122.654	C3	C5	C4	114.625
C3	C5	H9	122.654	C4	C2	H6	127.326
C4	C5	H9	122.721	C5	C3	H7	127.326
C5	C4	H8	122.721

All results from a given calculation for C₄H₄Se (selenophene)

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

States and conformations

All results from a given calculation for C₄H₄Se (selenophene)