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	hartrees
Energy at 0K	-2552.046199
Energy at 298.15K	-2552.048669
HF Energy	-2551.346842
Nuclear repulsion energy	311.811364

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3318	3113	2.35
2	A₁	3270	3069	5.68
3	A₁	1532	1437	23.59
4	A₁	1427	1339	0.80
5	A₁	1144	1074	3.71
6	A₁	1062	997	1.42
7	A₁	783	734	24.02
8	A₁	465	436	0.38
9	A₂	910	854	0.00
10	A₂	723	679	0.00
11	A₂	550	516	0.00
12	B₁	913	857	0.44
13	B₁	740	694	120.65
14	B₁	403	378	1.55
15	B₂	3316	3111	0.98
16	B₂	3257	3056	4.51
17	B₂	1633	1532	0.01
18	B₂	1316	1235	21.91
19	B₂	1142	1072	0.37
20	B₂	855	802	0.59
21	B₂	643	603	0.18

Atom	y (Å)	z (Å)
Se1	0.000	0.909
C2	1.285	-0.438
C3	-1.285	-0.438
C4	0.718	-1.674
C5	-0.718	-1.674
H6	2.341	-0.205
H7	-2.341	-0.205
H8	1.304	-2.587
H9	-1.304	-2.587

	Se1	C2	C3	C4	C5	H6	H7	H8	H9
Se1		1.8620	1.8620	2.6810	2.6810	2.5928	2.5928	3.7312	3.7312
C2	1.8620		2.5707	1.3598	2.3539	1.0808	3.6337	2.1490	3.3647
C3	1.8620	2.5707		2.3539	1.3598	3.6337	1.0808	3.3647	2.1490
C4	2.6810	1.3598	2.3539		1.4362	2.1884	3.3931	1.0847	2.2185
C5	2.6810	2.3539	1.3598	1.4362		3.3931	2.1884	2.2185	1.0847
H6	2.5928	1.0808	3.6337	2.1884	3.3931		4.6818	2.5973	4.3536
H7	2.5928	3.6337	1.0808	3.3931	2.1884	4.6818		4.3536	2.5973
H8	3.7312	2.1490	3.3647	1.0847	2.2185	2.5973	4.3536		2.6075
H9	3.7312	3.3647	2.1490	2.2185	1.0847	4.3536	2.5973	2.6075

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Se1	C2	C4	111.692	Se1	C2	H6	121.243
Se1	C3	C5	111.692	Se1	C3	H7	121.243
C2	Se1	C3	87.309	C2	C4	C5	114.654
C2	C4	H8	122.670	C3	C5	C4	114.654
C3	C5	H9	122.670	C4	C2	H6	127.065
C4	C5	H9	122.676	C5	C3	H7	127.065
C5	C4	H8	122.676

All results from a given calculation for C₄H₄Se (selenophene)

using model chemistry: MP3=FULL/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=FULL/6-31G*

States and conformations

All results from a given calculation for C₄H₄Se (selenophene)