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	hartrees
Energy at 0K	-2554.685577
Energy at 298.15K	-2554.688003
HF Energy	-2553.592578
Nuclear repulsion energy	311.009987

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3290	3290	2.82
2	A₁	3250	3250	5.98
3	A₁	1506	1506	25.71
4	A₁	1410	1410	0.64
5	A₁	1128	1128	4.50
6	A₁	1049	1049	1.62
7	A₁	783	783	25.50
8	A₁	468	468	0.21
9	A₂	862	862	0.00
10	A₂	696	696	0.00
11	A₂	530	530	0.00
12	B₁	876	876	0.05
13	B₁	714	714	148.15
14	B₁	398	398	2.08
15	B₂	3287	3287	1.72
16	B₂	3236	3236	4.14
17	B₂	1610	1610	0.03
18	B₂	1299	1299	21.49
19	B₂	1131	1131	1.37
20	B₂	855	855	0.70
21	B₂	646	646	0.49

Atom	y (Å)	z (Å)
Se1	0.000	0.913
C2	1.287	-0.441
C3	-1.287	-0.441
C4	0.720	-1.679
C5	-0.720	-1.679
H6	2.342	-0.203
H7	-2.342	-0.203
H8	1.307	-2.591
H9	-1.307	-2.591

	Se1	C2	C3	C4	C5	H6	H7	H8	H9
Se1		1.8678	1.8678	2.6900	2.6900	2.5940	2.5940	3.7393	3.7393
C2	1.8678		2.5744	1.3621	2.3586	1.0807	3.6365	2.1500	3.3696
C3	1.8678	2.5744		2.3586	1.3621	3.6365	1.0807	3.3696	2.1500
C4	2.6900	1.3621	2.3586		1.4401	2.1925	3.3987	1.0843	2.2229
C5	2.6900	2.3586	1.3621	1.4401		3.3987	2.1925	2.2229	1.0843
H6	2.5940	1.0807	3.6365	2.1925	3.3987		4.6832	2.6016	4.3605
H7	2.5940	3.6365	1.0807	3.3987	2.1925	4.6832		4.3605	2.6016
H8	3.7393	2.1500	3.3696	1.0843	2.2229	2.6016	4.3605		2.6148
H9	3.7393	3.3696	2.1500	2.2229	1.0843	4.3605	2.6016	2.6148

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Se1	C2	C4	111.830	Se1	C2	H6	120.882
Se1	C3	C5	111.830	Se1	C3	H7	120.882
C2	Se1	C3	87.130	C2	C4	C5	114.605
C2	C4	H8	122.596	C3	C5	C4	114.605
C3	C5	H9	122.596	C4	C2	H6	127.289
C4	C5	H9	122.799	C5	C3	H7	127.289
C5	C4	H8	122.799

All results from a given calculation for C₄H₄Se (selenophene)

using model chemistry: MP3=FULL/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: MP3=FULL/6-311G*

States and conformations

All results from a given calculation for C₄H₄Se (selenophene)