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	hartrees
Energy at 0K	-2554.575299
Energy at 298.15K	-2554.577518
HF Energy	-2553.654395
Nuclear repulsion energy	311.469094

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3320	3100	2.16
2	A₁	3275	3058	5.19
3	A₁	1503	1403	26.49
4	A₁	1417	1323	1.93
5	A₁	1134	1059	3.93
6	A₁	1051	981	1.10
7	A₁	781	730	25.78
8	A₁	465	434	0.17
9	A₂	750	700	0.00
10	A₂	639	597	0.00
11	A₂	378	353	0.00
12	B₁	843	787	0.55
13	B₁	701	654	139.25
14	B₁	387	361	1.76
15	B₂	3318	3098	0.90
16	B₂	3261	3045	3.87
17	B₂	1611	1504	0.63
18	B₂	1314	1227	21.65
19	B₂	1138	1063	0.81
20	B₂	853	797	0.95
21	B₂	641	599	0.45

Atom	y (Å)	z (Å)
Se1	0.000	0.913
C2	1.284	-0.444
C3	-1.284	-0.444
C4	0.718	-1.676
C5	-0.718	-1.676
H6	2.334	-0.212
H7	-2.334	-0.212
H8	1.300	-2.584
H9	-1.300	-2.584

	Se1	C2	C3	C4	C5	H6	H7	H8	H9
Se1		1.8686	1.8686	2.6865	2.6865	2.5910	2.5910	3.7309	3.7309
C2	1.8686		2.5689	1.3560	2.3506	1.0753	3.6262	2.1399	3.3556
C3	1.8686	2.5689		2.3506	1.3560	3.6262	1.0753	3.3556	2.1399
C4	2.6865	1.3560	2.3506		1.4351	2.1814	3.3850	1.0790	2.2128
C5	2.6865	2.3506	1.3560	1.4351		3.3850	2.1814	2.2128	1.0790
H6	2.5910	1.0753	3.6262	2.1814	3.3850		4.6686	2.5880	4.3404
H7	2.5910	3.6262	1.0753	3.3850	2.1814	4.6686		4.3404	2.5880
H8	3.7309	2.1399	3.3556	1.0790	2.2128	2.5880	4.3404		2.6006
H9	3.7309	3.3556	2.1399	2.2128	1.0790	4.3404	2.5880	2.6006

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Se1	C2	C4	111.862	Se1	C2	H6	120.932
Se1	C3	C5	111.862	Se1	C3	H7	120.932
C2	Se1	C3	86.850	C2	C4	C5	114.713
C2	C4	H8	122.594	C3	C5	C4	114.713
C3	C5	H9	122.594	C4	C2	H6	127.206
C4	C5	H9	122.692	C5	C3	H7	127.206
C5	C4	H8	122.692

All results from a given calculation for C₄H₄Se (selenophene)

using model chemistry: MP3=FULL/TZVP

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/TZVP

States and conformations

All results from a given calculation for C₄H₄Se (selenophene)