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	hartrees
Energy at 0K	-2554.446355
Energy at 298.15K	-2554.448504
HF Energy	-2553.654306
Nuclear repulsion energy	311.413918

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3321	3105	2.23
2	A₁	3276	3064	5.23
3	A₁	1502	1405	26.30
4	A₁	1414	1323	1.94
5	A₁	1133	1059	3.89
6	A₁	1050	982	1.06
7	A₁	781	730	25.87
8	A₁	466	435	0.20
9	A₂	733	685	0.00
10	A₂	625	585	0.00
11	A₂	340	318	0.00
12	B₁	824	771	0.49
13	B₁	692	648	139.16
14	B₁	382	357	1.86
15	B₂	3318	3103	0.94
16	B₂	3262	3050	3.92
17	B₂	1610	1505	0.64
18	B₂	1310	1225	21.58
19	B₂	1137	1064	0.82
20	B₂	854	799	0.88
21	B₂	641	599	0.40

Atom	y (Å)	z (Å)
Se1	0.000	0.913
C2	1.285	-0.444
C3	-1.285	-0.444
C4	0.718	-1.676
C5	-0.718	-1.676
H6	2.335	-0.208
H7	-2.335	-0.208
H8	1.301	-2.585
H9	-1.301	-2.585

	Se1	C2	C3	C4	C5	H6	H7	H8	H9
Se1		1.8684	1.8684	2.6868	2.6868	2.5902	2.5902	3.7319	3.7319
C2	1.8684		2.5700	1.3569	2.3519	1.0760	3.6276	2.1414	3.3576
C3	1.8684	2.5700		2.3519	1.3569	3.6276	1.0760	3.3576	2.1414
C4	2.6868	1.3569	2.3519		1.4360	2.1839	3.3876	1.0796	2.2142
C5	2.6868	2.3519	1.3569	1.4360		3.3876	2.1839	2.2142	1.0796
H6	2.5902	1.0760	3.6276	2.1839	3.3876		4.6699	2.5917	4.3439
H7	2.5902	3.6276	1.0760	3.3876	2.1839	4.6699		4.3439	2.5917
H8	3.7319	2.1414	3.3576	1.0796	2.2142	2.5917	4.3439		2.6023
H9	3.7319	3.3576	2.1414	2.2142	1.0796	4.3439	2.5917	2.6023

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Se1	C2	C4	111.849	Se1	C2	H6	120.822
Se1	C3	C5	111.849	Se1	C3	H7	120.822
C2	Se1	C3	86.903	C2	C4	C5	114.700
C2	C4	H8	122.606	C3	C5	C4	114.700
C3	C5	H9	122.606	C4	C2	H6	127.329
C4	C5	H9	122.694	C5	C3	H7	127.329
C5	C4	H8	122.694

All results from a given calculation for C₄H₄Se (selenophene)

using model chemistry: MP3/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/TZVP

States and conformations

All results from a given calculation for C₄H₄Se (selenophene)