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	hartrees
Energy at 0K	-2551.503297
Energy at 298.15K	-2551.505720
HF Energy	-2551.071582
Nuclear repulsion energy	305.661031

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3294	3129	2.22
2	A₁	3234	3072	9.25
3	A₁	1455	1383	19.31
4	A₁	1402	1332	4.39
5	A₁	1151	1093	4.64
6	A₁	1045	993	1.85
7	A₁	750	712	22.23
8	A₁	461	438	0.85
9	A₂	904	859	0.00
10	A₂	721	685	0.00
11	A₂	559	531	0.00
12	B₁	911	866	4.20
13	B₁	738	701	151.01
14	B₁	390	371	1.25
15	B₂	3290	3126	2.39
16	B₂	3217	3056	5.37
17	B₂	1546	1469	0.00
18	B₂	1327	1260	24.62
19	B₂	1141	1084	0.92
20	B₂	859	816	0.34
21	B₂	586	557	0.07

Atom	y (Å)	z (Å)
Se1	0.000	0.933
C2	1.309	-0.459
C3	-1.309	-0.459
C4	0.723	-1.709
C5	-0.723	-1.709
H6	2.369	-0.234
H7	-2.369	-0.234
H8	1.314	-2.623
H9	-1.314	-2.623

	Se1	C2	C3	C4	C5	H6	H7	H8	H9
Se1		1.9109	1.9109	2.7399	2.7399	2.6414	2.6414	3.7916	3.7916
C2	1.9109		2.6177	1.3809	2.3858	1.0839	3.6849	2.1643	3.4007
C3	1.9109	2.6177		2.3858	1.3809	3.6849	1.0839	3.4007	2.1643
C4	2.7399	1.3809	2.3858		1.4460	2.2103	3.4259	1.0884	2.2328
C5	2.7399	2.3858	1.3809	1.4460		3.4259	2.2103	2.2328	1.0884
H6	2.6414	1.0839	3.6849	2.2103	3.4259		4.7384	2.6114	4.3902
H7	2.6414	3.6849	1.0839	3.4259	2.2103	4.7384		4.3902	2.6114
H8	3.7916	2.1643	3.4007	1.0884	2.2328	2.6114	4.3902		2.6284
H9	3.7916	3.4007	2.1643	2.2328	1.0884	4.3902	2.6114	2.6284

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Se1	C2	C4	111.666	Se1	C2	H6	121.275
Se1	C3	C5	111.666	Se1	C3	H7	121.275
C2	Se1	C3	86.460	C2	C4	C5	115.104
C2	C4	H8	121.995	C3	C5	C4	115.104
C3	C5	H9	121.995	C4	C2	H6	127.059
C4	C5	H9	122.901	C5	C3	H7	127.059
C5	C4	H8	122.901

All results from a given calculation for C₄H₄Se (selenophene)

using model chemistry: MP2=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: MP2=FULL/6-31G

States and conformations

All results from a given calculation for C₄H₄Se (selenophene)