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	hartrees
Energy at 0K	-2552.100366
Energy at 298.15K	-2552.102833
HF Energy	-2551.387484
Nuclear repulsion energy	313.240534

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3331	3128	2.17
2	A₁	3290	3090	4.15
3	A₁	1480	1390	12.98
4	A₁	1403	1318	5.71
5	A₁	1127	1058	4.32
6	A₁	1072	1006	4.15
7	A₁	810	761	21.78
8	A₁	475	446	0.01
9	A₂	864	811	0.00
10	A₂	683	641	0.00
11	A₂	524	492	0.00
12	B₁	873	820	0.01
13	B₁	724	680	156.74
14	B₁	433	406	3.00
15	B₂	3328	3126	0.08
16	B₂	3276	3077	3.40
17	B₂	1553	1459	0.40
18	B₂	1299	1220	19.77
19	B₂	1126	1057	2.25
20	B₂	845	794	0.66
21	B₂	654	615	1.29

Atom	y (Å)	z (Å)
Se1	0.000	0.903
C2	1.279	-0.423
C3	-1.279	-0.423
C4	0.710	-1.676
C5	-0.710	-1.676
H6	2.330	-0.183
H7	-2.330	-0.183
H8	1.304	-2.580
H9	-1.304	-2.580

	Se1	C2	C3	C4	C5	H6	H7	H8	H9
Se1		1.8426	1.8426	2.6756	2.6756	2.5705	2.5705	3.7190	3.7190
C2	1.8426		2.5582	1.3762	2.3513	1.0775	3.6167	2.1568	3.3648
C3	1.8426	2.5582		2.3513	1.3762	3.6167	1.0775	3.3648	2.1568
C4	2.6756	1.3762	2.3513		1.4207	2.2025	3.3868	1.0809	2.2074
C5	2.6756	2.3513	1.3762	1.4207		3.3868	2.2025	2.2074	1.0809
H6	2.5705	1.0775	3.6167	2.2025	3.3868		4.6592	2.6068	4.3525
H7	2.5705	3.6167	1.0775	3.3868	2.2025	4.6592		4.3525	2.6068
H8	3.7190	2.1568	3.3648	1.0809	2.2074	2.6068	4.3525		2.6074
H9	3.7190	3.3648	2.1568	2.2074	1.0809	4.3525	2.6068	2.6074

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Se1	C2	C4	111.629	Se1	C2	H6	121.103
Se1	C3	C5	111.629	Se1	C3	H7	121.103
C2	Se1	C3	87.923	C2	C4	C5	114.409
C2	C4	H8	122.296	C3	C5	C4	114.409
C3	C5	H9	122.296	C4	C2	H6	127.268
C4	C5	H9	123.294	C5	C3	H7	127.268
C5	C4	H8	123.294

All results from a given calculation for C₄H₄Se (selenophene)

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

States and conformations

All results from a given calculation for C₄H₄Se (selenophene)