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	hartrees
Energy at 0K	-2554.498534
Energy at 298.15K	-2554.500334
HF Energy	-2553.652677
Nuclear repulsion energy	310.321969

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3262	3141
2	A₁	3221	3101
3	A₁	1443	1389
4	A₁	1376	1325
5	A₁	1105	1064
6	A₁	1037	999
7	A₁	766	738
8	A₁	454	438
9	A₂	678	652
10	A₂	572	551
11	A₂	191	184
12	B₁	752	724
13	B₁	663	638
14	B₁	369	355
15	B₂	3259	3138
16	B₂	3207	3088
17	B₂	1537	1480
18	B₂	1275	1228
19	B₂	1108	1067
20	B₂	832	801
21	B₂	624	601

Atom	y (Å)	z (Å)
Se1	0.000	0.915
C2	1.291	-0.442
C3	-1.291	-0.442
C4	0.716	-1.685
C5	-0.716	-1.685
H6	2.344	-0.200
H7	-2.344	-0.200
H8	1.303	-2.597
H9	-1.303	-2.597

	Se1	C2	C3	C4	C5	H6	H7	H8	H9
Se1		1.8727	1.8727	2.6971	2.6971	2.5961	2.5961	3.7457	3.7457
C2	1.8727		2.5818	1.3702	2.3610	1.0808	3.6432	2.1553	3.3722
C3	1.8727	2.5818		2.3610	1.3702	3.6432	1.0808	3.3722	2.1553
C4	2.6971	1.3702	2.3610		1.4320	2.2039	3.4016	1.0840	2.2149
C5	2.6971	2.3610	1.3702	1.4320		3.4016	2.2039	2.2149	1.0840
H6	2.5961	1.0808	3.6432	2.2039	3.4016		4.6887	2.6133	4.3640
H7	2.5961	3.6432	1.0808	3.4016	2.2039	4.6887		4.3640	2.6133
H8	3.7457	2.1553	3.3722	1.0840	2.2149	2.6133	4.3640		2.6053
H9	3.7457	3.3722	2.1553	2.2149	1.0840	4.3640	2.6133	2.6053

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Se1	C2	C4	111.614	Se1	C2	H6	120.670
Se1	C3	C5	111.614	Se1	C3	H7	120.670
C2	Se1	C3	87.154	C2	C4	C5	114.809
C2	C4	H8	122.427	C3	C5	C4	114.809
C3	C5	H9	122.427	C4	C2	H6	127.716
C4	C5	H9	122.764	C5	C3	H7	127.716
C5	C4	H8	122.764

All results from a given calculation for C₄H₄Se (selenophene)

using model chemistry: MP4/TZVP

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: MP4/TZVP

States and conformations

All results from a given calculation for C₄H₄Se (selenophene)