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	hartrees
Energy at 0K	-2552.028317
Energy at 298.15K	-2552.030784
HF Energy	-2551.354811
Nuclear repulsion energy	311.404424

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3335	3127	2.76
2	A₁	3290	3085	7.68
3	A₁	1529	1433	22.26
4	A₁	1429	1340	1.28
5	A₁	1141	1070	3.65
6	A₁	1060	994	0.68
7	A₁	778	729	22.81
8	A₁	461	432	0.33
9	A₂	915	858	0.00
10	A₂	720	675	0.00
11	A₂	542	508	0.00
12	B₁	915	858	0.34
13	B₁	736	691	104.59
14	B₁	398	373	1.53
15	B₂	3333	3125	2.52
16	B₂	3276	3072	5.10
17	B₂	1632	1530	0.12
18	B₂	1319	1237	20.15
19	B₂	1142	1071	0.10
20	B₂	852	798	0.57
21	B₂	640	600	0.12

Atom	y (Å)	z (Å)
Se1	0.000	0.912
C2	1.286	-0.440
C3	-1.286	-0.440
C4	0.719	-1.677
C5	-0.719	-1.677
H6	2.338	-0.209
H7	-2.338	-0.209
H8	1.303	-2.586
H9	-1.303	-2.586

	Se1	C2	C3	C4	C5	H6	H7	H8	H9
Se1		1.8657	1.8657	2.6865	2.6865	2.5927	2.5927	3.7327	3.7327
C2	1.8657		2.5725	1.3610	2.3560	1.0771	3.6319	2.1465	3.3633
C3	1.8657	2.5725		2.3560	1.3610	3.6319	1.0771	3.3633	2.1465
C4	2.6865	1.3610	2.3560		1.4376	2.1860	3.3914	1.0808	2.2170
C5	2.6865	2.3560	1.3610	1.4376		3.3914	2.1860	2.2170	1.0808
H6	2.5927	1.0771	3.6319	2.1860	3.3914		4.6765	2.5933	4.3489
H7	2.5927	3.6319	1.0771	3.3914	2.1860	4.6765		4.3489	2.5933
H8	3.7327	2.1465	3.3633	1.0808	2.2170	2.5933	4.3489		2.6062
H9	3.7327	3.3633	2.1465	2.2170	1.0808	4.3489	2.5933	2.6062

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Se1	C2	C4	111.777	Se1	C2	H6	121.183
Se1	C3	C5	111.777	Se1	C3	H7	121.183
C2	Se1	C3	87.167	C2	C4	C5	114.640
C2	C4	H8	122.637	C3	C5	C4	114.640
C3	C5	H9	122.637	C4	C2	H6	127.040
C4	C5	H9	122.723	C5	C3	H7	127.040
C5	C4	H8	122.723

All results from a given calculation for C₄H₄Se (selenophene)

using model chemistry: CCD/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: CCD/6-31G**

States and conformations

All results from a given calculation for C₄H₄Se (selenophene)