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	hartrees
Energy at 0K	-2554.494349
Energy at 298.15K	-2554.496253
HF Energy	-2553.653098
Nuclear repulsion energy	310.046371

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3262	3141
2	A₁	3220	3101
3	A₁	1460	1406
4	A₁	1383	1332
5	A₁	1109	1069
6	A₁	1032	994
7	A₁	763	735
8	A₁	454	437
9	A₂	687	662
10	A₂	585	563
11	A₂	250	240
12	B₁	770	742
13	B₁	666	642
14	B₁	368	354
15	B₂	3259	3139
16	B₂	3205	3087
17	B₂	1558	1500
18	B₂	1282	1234
19	B₂	1113	1072
20	B₂	833	802
21	B₂	623	600

Atom	y (Å)	z (Å)
Se1	0.000	0.917
C2	1.291	-0.445
C3	-1.291	-0.445
C4	0.719	-1.685
C5	-0.719	-1.685
H6	2.345	-0.206
H7	-2.345	-0.206
H8	1.304	-2.597
H9	-1.304	-2.597

	Se1	C2	C3	C4	C5	H6	H7	H8	H9
Se1		1.8763	1.8763	2.6996	2.6996	2.5995	2.5995	3.7484	3.7484
C2	1.8763		2.5815	1.3660	2.3614	1.0805	3.6431	2.1524	3.3715
C3	1.8763	2.5815		2.3614	1.3660	3.6431	1.0805	3.3715	2.1524
C4	2.6996	1.3660	2.3614		1.4372	2.1982	3.4016	1.0839	2.2189
C5	2.6996	2.3614	1.3660	1.4372		3.4016	2.1982	2.2189	1.0839
H6	2.5995	1.0805	3.6431	2.1982	3.4016		4.6890	2.6077	4.3626
H7	2.5995	3.6431	1.0805	3.4016	2.1982	4.6890		4.3626	2.6077
H8	3.7484	2.1524	3.3715	1.0839	2.2189	2.6077	4.3626		2.6086
H9	3.7484	3.3715	2.1524	2.2189	1.0839	4.3626	2.6077	2.6086

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Se1	C2	C4	111.771	Se1	C2	H6	120.691
Se1	C3	C5	111.771	Se1	C3	H7	120.691
C2	Se1	C3	86.932	C2	C4	C5	114.763
C2	C4	H8	122.526	C3	C5	C4	114.763
C3	C5	H9	122.526	C4	C2	H6	127.538
C4	C5	H9	122.711	C5	C3	H7	127.538
C5	C4	H8	122.711

All results from a given calculation for C₄H₄Se (selenophene)

using model chemistry: QCISD(T)/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: QCISD(T)/TZVP

States and conformations

All results from a given calculation for C₄H₄Se (selenophene)