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	hartrees
Energy at 0K	-2551.993938
Energy at 298.15K	-2551.996375
HF Energy	-2551.346623
Nuclear repulsion energy	311.167238

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3316	3112	2.41
2	A₁	3269	3068	5.71
3	A₁	1530	1436	23.41
4	A₁	1423	1336	0.86
5	A₁	1143	1073	3.65
6	A₁	1060	995	1.34
7	A₁	777	730	24.01
8	A₁	462	433	0.42
9	A₂	895	840	0.00
10	A₂	714	670	0.00
11	A₂	543	509	0.00
12	B₁	901	846	0.33
13	B₁	733	688	120.52
14	B₁	398	374	1.64
15	B₂	3314	3110	1.04
16	B₂	3255	3055	4.55
17	B₂	1631	1530	0.01
18	B₂	1312	1232	22.36
19	B₂	1142	1071	0.31
20	B₂	853	800	0.55
21	B₂	637	598	0.14

Atom	y (Å)	z (Å)
Se1	0.000	0.912
C2	1.288	-0.440
C3	-1.288	-0.440
C4	0.719	-1.677
C5	-0.719	-1.677
H6	2.344	-0.207
H7	-2.344	-0.207
H8	1.304	-2.590
H9	-1.304	-2.590

	Se1	C2	C3	C4	C5	H6	H7	H8	H9
Se1		1.8674	1.8674	2.6867	2.6867	2.5971	2.5971	3.7373	3.7373
C2	1.8674		2.5757	1.3610	2.3571	1.0812	3.6389	2.1500	3.3678
C3	1.8674	2.5757		2.3571	1.3610	3.6389	1.0812	3.3678	2.1500
C4	2.6867	1.3610	2.3571		1.4379	2.1907	3.3969	1.0851	2.2201
C5	2.6867	2.3571	1.3610	1.4379		3.3969	2.1907	2.2201	1.0851
H6	2.5971	1.0812	3.6389	2.1907	3.3969		4.6872	2.5999	4.3575
H7	2.5971	3.6389	1.0812	3.3969	2.1907	4.6872		4.3575	2.5999
H8	3.7373	2.1500	3.3678	1.0851	2.2201	2.5999	4.3575		2.6089
H9	3.7373	3.3678	2.1500	2.2201	1.0851	4.3575	2.5999	2.6089

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Se1	C2	C4	111.691	Se1	C2	H6	121.147
Se1	C3	C5	111.691	Se1	C3	H7	121.147
C2	Se1	C3	87.203	C2	C4	C5	114.707
C2	C4	H8	122.638	C3	C5	C4	114.707
C3	C5	H9	122.638	C4	C2	H6	127.163
C4	C5	H9	122.654	C5	C3	H7	127.163
C5	C4	H8	122.654

All results from a given calculation for C₄H₄Se (selenophene)

using model chemistry: MP3/6-31G*

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: MP3/6-31G*

States and conformations

All results from a given calculation for C₄H₄Se (selenophene)