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	hartrees
Energy at 0K	-2554.274511
Energy at 298.15K	-2554.276919
HF Energy	-2553.592245
Nuclear repulsion energy	310.572377

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3255	3108	3.28
2	A₁	3217	3073	6.98
3	A₁	1496	1429	25.12
4	A₁	1403	1340	0.55
5	A₁	1122	1072	4.47
6	A₁	1044	997	1.29
7	A₁	780	745	25.29
8	A₁	465	444	0.20
9	A₂	861	822	0.00
10	A₂	693	662	0.00
11	A₂	528	504	0.00
12	B₁	873	834	0.06
13	B₁	710	679	143.17
14	B₁	395	377	1.96
15	B₂	3252	3106	2.80
16	B₂	3204	3060	4.39
17	B₂	1602	1530	0.04
18	B₂	1293	1235	21.05
19	B₂	1125	1075	1.19
20	B₂	851	813	0.61
21	B₂	645	616	0.45

Atom	y (Å)	z (Å)
Se1	0.000	0.914
C2	1.289	-0.442
C3	-1.289	-0.442
C4	0.721	-1.681
C5	-0.721	-1.681
H6	2.346	-0.205
H7	-2.346	-0.205
H8	1.310	-2.595
H9	-1.310	-2.595

	Se1	C2	C3	C4	C5	H6	H7	H8	H9
Se1		1.8705	1.8705	2.6935	2.6935	2.5994	2.5994	3.7455	3.7455
C2	1.8705		2.5773	1.3633	2.3610	1.0838	3.6426	2.1534	3.3745
C3	1.8705	2.5773		2.3610	1.3633	3.6426	1.0838	3.3745	2.1534
C4	2.6935	1.3633	2.3610		1.4417	2.1958	3.4039	1.0871	2.2266
C5	2.6935	2.3610	1.3633	1.4417		3.4039	2.1958	2.2266	1.0871
H6	2.5994	1.0838	3.6426	2.1958	3.4039		4.6925	2.6053	4.3678
H7	2.5994	3.6426	1.0838	3.4039	2.1958	4.6925		4.3678	2.6053
H8	3.7455	2.1534	3.3745	1.0871	2.2266	2.6053	4.3678		2.6191
H9	3.7455	3.3745	2.1534	2.2266	1.0871	4.3678	2.6053	2.6191

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Se1	C2	C4	111.839	Se1	C2	H6	120.924
Se1	C3	C5	111.839	Se1	C3	H7	120.924
C2	Se1	C3	87.092	C2	C4	C5	114.615
C2	C4	H8	122.594	C3	C5	C4	114.615
C3	C5	H9	122.594	C4	C2	H6	127.236
C4	C5	H9	122.791	C5	C3	H7	127.236
C5	C4	H8	122.791

All results from a given calculation for C₄H₄Se (selenophene)

using model chemistry: CCD/6-311G*

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/6-311G*

States and conformations

All results from a given calculation for C₄H₄Se (selenophene)