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	hartrees
Energy at 0K	-2554.164942
Energy at 298.15K	-2554.167553
HF Energy	-2553.592142
Nuclear repulsion energy	311.839184

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3364	3109	3.24
2	A₁	3327	3074	3.87
3	A₁	1554	1436	26.42
4	A₁	1442	1333	0.47
5	A₁	1136	1049	3.86
6	A₁	1070	988	1.06
7	A₁	804	743	24.94
8	A₁	481	445	0.19
9	A₂	977	903	0.00
10	A₂	746	690	0.00
11	A₂	568	525	0.00
12	B₁	958	885	0.47
13	B₁	755	697	117.85
14	B₁	414	382	1.76
15	B₂	3361	3105	0.54
16	B₂	3312	3061	4.40
17	B₂	1663	1537	0.16
18	B₂	1322	1222	17.85
19	B₂	1144	1058	0.91
20	B₂	864	798	1.67
21	B₂	672	621	0.52

Atom	y (Å)	z (Å)
Se1	0.000	0.909
C2	1.284	-0.436
C3	-1.284	-0.436
C4	0.720	-1.674
C5	-0.720	-1.674
H6	2.343	-0.204
H7	-2.343	-0.204
H8	1.310	-2.587
H9	-1.310	-2.587

	Se1	C2	C3	C4	C5	H6	H7	H8	H9
Se1		1.8594	1.8594	2.6817	2.6817	2.5940	2.5940	3.7337	3.7337
C2	1.8594		2.5672	1.3600	2.3554	1.0844	3.6339	2.1513	3.3693
C3	1.8594	2.5672		2.3554	1.3600	3.6339	1.0844	3.3693	2.1513
C4	2.6817	1.3600	2.3554		1.4405	2.1894	3.3976	1.0869	2.2259
C5	2.6817	2.3554	1.3600	1.4405		3.3976	2.1894	2.2259	1.0869
H6	2.5940	1.0844	3.6339	2.1894	3.3976		4.6858	2.5974	4.3613
H7	2.5940	3.6339	1.0844	3.3976	2.1894	4.6858		4.3613	2.5974
H8	3.7337	2.1513	3.3693	1.0869	2.2259	2.5974	4.3613		2.6194
H9	3.7337	3.3693	2.1513	2.2259	1.0869	4.3613	2.5974	2.6194

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Se1	C2	C4	111.876	Se1	C2	H6	121.303
Se1	C3	C5	111.876	Se1	C3	H7	121.303
C2	Se1	C3	87.310	C2	C4	C5	114.469
C2	C4	H8	122.692	C3	C5	C4	114.469
C3	C5	H9	122.692	C4	C2	H6	126.821
C4	C5	H9	122.839	C5	C3	H7	126.821
C5	C4	H8	122.839

All results from a given calculation for C₄H₄Se (selenophene)

using model chemistry: CID/cc-pVDZ

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: CID/cc-pVDZ

States and conformations

All results from a given calculation for C₄H₄Se (selenophene)