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	hartrees
Energy at 0K	-2527.847485
Energy at 298.15K	-2527.849857
HF Energy	-2527.847485
Nuclear repulsion energy	310.848763

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3551	3551	0.60
2	A₁	3522	3522	20.13
3	A₁	1622	1622	22.23
4	A₁	1518	1518	0.73
5	A₁	1192	1192	1.62
6	A₁	1103	1103	0.16
7	A₁	841	841	21.48
8	A₁	515	515	0.86
9	A₂	1018	1018	0.00
10	A₂	793	793	0.00
11	A₂	595	595	0.00
12	B₁	1001	1001	0.20
13	B₁	769	769	37.47
14	B₁	423	423	0.12
15	B₂	3543	3543	24.13
16	B₂	3509	3509	3.39
17	B₂	1744	1744	1.58
18	B₂	1376	1376	10.70
19	B₂	1200	1200	0.62
20	B₂	918	918	0.01
21	B₂	683	683	0.79

Atom	y (Å)	z (Å)
Se1	0.000	0.914
C2	1.281	-0.438
C3	-1.281	-0.438
C4	0.727	-1.681
C5	-0.727	-1.681
H6	2.349	-0.212
H7	-2.349	-0.212
H8	1.316	-2.603
H9	-1.316	-2.603

	Se1	C2	C3	C4	C5	H6	H7	H8	H9
Se1		1.8624	1.8624	2.6945	2.6945	2.6050	2.6050	3.7551	3.7551
C2	1.8624		2.5625	1.3606	2.3620	1.0915	3.6374	2.1655	3.3815
C3	1.8624	2.5625		2.3620	1.3606	3.6374	1.0915	3.3815	2.1655
C4	2.6945	1.3606	2.3620		1.4547	2.1880	3.4091	1.0943	2.2420
C5	2.6945	2.3620	1.3606	1.4547		3.4091	2.1880	2.2420	1.0943
H6	2.6050	1.0915	3.6374	2.1880	3.4091		4.6983	2.6048	4.3763
H7	2.6050	3.6374	1.0915	3.4091	2.1880	4.6983		4.3763	2.6048
H8	3.7551	2.1655	3.3815	1.0943	2.2420	2.6048	4.3763		2.6322
H9	3.7551	3.3815	2.1655	2.2420	1.0943	4.3763	2.6048	2.6322

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Se1	C2	C4	112.511	Se1	C2	H6	121.523
Se1	C3	C5	112.511	Se1	C3	H7	121.523
C2	Se1	C3	86.935	C2	C4	C5	114.021
C2	C4	H8	123.431	C3	C5	C4	114.021
C3	C5	H9	123.431	C4	C2	H6	125.967
C4	C5	H9	122.548	C5	C3	H7	125.967
C5	C4	H8	122.548

All results from a given calculation for C₄H₄Se (selenophene)

using model chemistry: wB97X-D/STO-3G

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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Number	Element	Mulliken
1	Se	0.243
2	C	-0.195
3	C	-0.195
4	C	-0.098
5	C	-0.098
6	H	0.090
7	H	0.090
8	H	0.081
9	H	0.081

<r²>	142.535
(<r²>)^1/2	11.939

All results from a given calculation for C4H4Se (selenophene)

using model chemistry: wB97X-D/STO-3G

States and conformations

All results from a given calculation for C₄H₄Se (selenophene)