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	hartrees
Energy at 0K	-2541.821872
Energy at 298.15K	-2541.824427
HF Energy	-2541.408902
Nuclear repulsion energy	306.343154

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3299	3149	1.93
2	A₁	3242	3094	4.04
3	A₁	1427	1362	10.61
4	A₁	1412	1348	13.19
5	A₁	1162	1109	5.87
6	A₁	1024	978	1.07
7	A₁	778	743	22.76
8	A₁	478	456	0.26
9	A₂	962	918	0.00
10	A₂	746	712	0.00
11	A₂	586	560	0.00
12	B₁	946	903	4.67
13	B₁	747	713	152.83
14	B₁	414	395	1.88
15	B₂	3295	3145	0.87
16	B₂	3227	3080	3.32
17	B₂	1542	1472	0.16
18	B₂	1345	1284	22.16
19	B₂	1152	1099	1.84
20	B₂	876	836	0.45
21	B₂	615	587	0.19

Atom	y (Å)	z (Å)
Se1	0.000	0.933
C2	1.302	-0.462
C3	-1.302	-0.462
C4	0.723	-1.705
C5	-0.723	-1.705
H6	2.360	-0.246
H7	-2.360	-0.246
H8	1.310	-2.617
H9	-1.310	-2.617

	Se1	C2	C3	C4	C5	H6	H7	H8	H9
Se1		1.9089	1.9089	2.7358	2.7358	2.6383	2.6383	3.7841	3.7841
C2	1.9089		2.6049	1.3718	2.3762	1.0795	3.6689	2.1549	3.3861
C3	1.9089	2.6049		2.3762	1.3718	3.6689	1.0795	3.3861	2.1549
C4	2.7358	1.3718	2.3762		1.4451	2.1935	3.4106	1.0843	2.2272
C5	2.7358	2.3762	1.3718	1.4451		3.4106	2.1935	2.2272	1.0843
H6	2.6383	1.0795	3.6689	2.1935	3.4106		4.7202	2.5934	4.3690
H7	2.6383	3.6689	1.0795	3.4106	2.1935	4.7202		4.3690	2.5934
H8	3.7841	2.1549	3.3861	1.0843	2.2272	2.5934	4.3690		2.6191
H9	3.7841	3.3861	2.1549	2.2272	1.0843	4.3690	2.5934	2.6191

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Se1	C2	C4	111.966	Se1	C2	H6	121.471
Se1	C3	C5	111.966	Se1	C3	H7	121.471
C2	Se1	C3	86.052	C2	C4	C5	115.008
C2	C4	H8	122.215	C3	C5	C4	115.008
C3	C5	H9	122.215	C4	C2	H6	126.563
C4	C5	H9	122.777	C5	C3	H7	126.563
C5	C4	H8	122.777

All results from a given calculation for C₄H₄Se (selenophene)

using model chemistry: MP2/3-21G

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: MP2/3-21G

States and conformations

All results from a given calculation for C₄H₄Se (selenophene)