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	hartrees
Energy at 0K	-2552.120625
Energy at 298.15K	-2552.123141
HF Energy	-2551.388791
Nuclear repulsion energy	312.414096

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3359	3129	2.07
2	A₁	3314	3087	5.68
3	A₁	1518	1415	25.71
4	A₁	1433	1335	2.43
5	A₁	1145	1067	4.64
6	A₁	1065	992	1.53
7	A₁	799	744	25.22
8	A₁	474	442	0.17
9	A₂	898	836	0.00
10	A₂	717	668	0.00
11	A₂	532	496	0.00
12	B₁	918	855	0.25
13	B₁	734	684	149.51
14	B₁	432	402	1.76
15	B₂	3357	3127	0.97
16	B₂	3300	3074	3.90
17	B₂	1622	1511	0.79
18	B₂	1324	1234	19.11
19	B₂	1147	1068	1.19
20	B₂	853	794	0.84
21	B₂	646	602	0.74

Atom	y (Å)	z (Å)
Se1	0.000	0.908
C2	1.280	-0.434
C3	-1.280	-0.434
C4	0.718	-1.676
C5	-0.718	-1.676
H6	2.329	-0.199
H7	-2.329	-0.199
H8	1.304	-2.581
H9	-1.304	-2.581

	Se1	C2	C3	C4	C5	H6	H7	H8	H9
Se1		1.8545	1.8545	2.6816	2.6816	2.5785	2.5785	3.7246	3.7246
C2	1.8545		2.5606	1.3633	2.3528	1.0746	3.6169	2.1472	3.3599
C3	1.8545	2.5606		2.3528	1.3633	3.6169	1.0746	3.3599	2.1472
C4	2.6816	1.3633	2.3528		1.4359	2.1856	3.3860	1.0783	2.2154
C5	2.6816	2.3528	1.3633	1.4359		3.3860	2.1856	2.2154	1.0783
H6	2.5785	1.0746	3.6169	2.1856	3.3860		4.6579	2.5932	4.3443
H7	2.5785	3.6169	1.0746	3.3860	2.1856	4.6579		4.3443	2.5932
H8	3.7246	2.1472	3.3599	1.0783	2.2154	2.5932	4.3443		2.6081
H9	3.7246	3.3599	2.1472	2.2154	1.0783	4.3443	2.5932	2.6081

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Se1	C2	C4	111.981	Se1	C2	H6	121.026
Se1	C3	C5	111.981	Se1	C3	H7	121.026
C2	Se1	C3	87.317	C2	C4	C5	114.360
C2	C4	H8	122.716	C3	C5	C4	114.360
C3	C5	H9	122.716	C4	C2	H6	126.993
C4	C5	H9	122.923	C5	C3	H7	126.993
C5	C4	H8	122.923

All results from a given calculation for C₄H₄Se (selenophene)

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

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/6-31+G**

States and conformations

All results from a given calculation for C₄H₄Se (selenophene)