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	hartrees
Energy at 0K	-2541.850540
Energy at 298.15K	-2541.853080
HF Energy	-2541.409409
Nuclear repulsion energy	305.537530

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3264	3173	2.05
2	A₁	3204	3115	5.54
3	A₁	1476	1436	21.36
4	A₁	1417	1378	0.03
5	A₁	1158	1126	3.58
6	A₁	999	971	0.39
7	A₁	766	745	22.02
8	A₁	473	460	0.24
9	A₂	978	951	0.00
10	A₂	763	742	0.00
11	A₂	573	557	0.00
12	B₁	969	942	4.63
13	B₁	745	725	142.22
14	B₁	405	394	0.80
15	B₂	3259	3169	3.05
16	B₂	3189	3101	3.99
17	B₂	1590	1546	0.01
18	B₂	1350	1312	21.69
19	B₂	1152	1120	0.93
20	B₂	874	850	0.41
21	B₂	610	593	0.09

Atom	y (Å)	z (Å)
Se1	0.000	0.937
C2	1.303	-0.470
C3	-1.303	-0.470
C4	0.730	-1.706
C5	-0.730	-1.706
H6	2.364	-0.257
H7	-2.364	-0.257
H8	1.313	-2.623
H9	-1.313	-2.623

	Se1	C2	C3	C4	C5	H6	H7	H8	H9
Se1		1.9183	1.9183	2.7420	2.7420	2.6485	2.6485	3.7948	3.7948
C2	1.9183		2.6065	1.3620	2.3792	1.0820	3.6735	2.1529	3.3880
C3	1.9183	2.6065		2.3792	1.3620	3.6735	1.0820	3.3880	2.1529
C4	2.7420	1.3620	2.3792		1.4600	2.1838	3.4164	1.0869	2.2393
C5	2.7420	2.3792	1.3620	1.4600		3.4164	2.1838	2.2393	1.0869
H6	2.6485	1.0820	3.6735	2.1838	3.4164		4.7280	2.5892	4.3724
H7	2.6485	3.6735	1.0820	3.4164	2.1838	4.7280		4.3724	2.5892
H8	3.7948	2.1529	3.3880	1.0869	2.2393	2.5892	4.3724		2.6255
H9	3.7948	3.3880	2.1529	2.2393	1.0869	4.3724	2.5892	2.6255

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Se1	C2	C4	112.311	Se1	C2	H6	121.426
Se1	C3	C5	112.311	Se1	C3	H7	121.426
C2	Se1	C3	85.594	C2	C4	C5	114.892
C2	C4	H8	122.684	C3	C5	C4	114.892
C3	C5	H9	122.684	C4	C2	H6	126.263
C4	C5	H9	122.425	C5	C3	H7	126.263
C5	C4	H8	122.425

All results from a given calculation for C₄H₄Se (selenophene)

using model chemistry: CCD/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: CCD/3-21G

States and conformations

All results from a given calculation for C₄H₄Se (selenophene)