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	hartrees
Energy at 0K	-2554.282818
Energy at 298.15K	-2554.285200
HF Energy	-2553.598879
Nuclear repulsion energy	311.633093

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3276	3113	2.58
2	A₁	3239	3077	3.99
3	A₁	1450	1378	15.07
4	A₁	1373	1305	4.92
5	A₁	1099	1045	3.86
6	A₁	1053	1001	3.31
7	A₁	792	753	21.88
8	A₁	467	443	0.02
9	A₂	844	802	0.00
10	A₂	661	628	0.00
11	A₂	516	490	0.00
12	B₁	839	797	0.08
13	B₁	703	668	132.47
14	B₁	396	376	3.65
15	B₂	3274	3111	0.21
16	B₂	3225	3064	3.65
17	B₂	1530	1453	0.07
18	B₂	1267	1204	21.09
19	B₂	1101	1047	1.52
20	B₂	842	800	0.49
21	B₂	654	621	0.73

Atom	y (Å)	z (Å)
Se1	0.000	0.909
C2	1.287	-0.430
C3	-1.287	-0.430
C4	0.712	-1.682
C5	-0.712	-1.682
H6	2.341	-0.188
H7	-2.341	-0.188
H8	1.306	-2.590
H9	-1.306	-2.590

	Se1	C2	C3	C4	C5	H6	H7	H8	H9
Se1		1.8570	1.8570	2.6867	2.6867	2.5856	2.5856	3.7348	3.7348
C2	1.8570		2.5736	1.3773	2.3585	1.0821	3.6364	2.1604	3.3746
C3	1.8570	2.5736		2.3585	1.3773	3.6364	1.0821	3.3746	2.1604
C4	2.6867	1.3773	2.3585		1.4242	2.2106	3.3994	1.0853	2.2129
C5	2.6867	2.3585	1.3773	1.4242		3.3994	2.2106	2.2129	1.0853
H6	2.5856	1.0821	3.6364	2.2106	3.3994		4.6830	2.6163	4.3673
H7	2.5856	3.6364	1.0821	3.3994	2.2106	4.6830		4.3673	2.6163
H8	3.7348	2.1604	3.3746	1.0853	2.2129	2.6163	4.3673		2.6113
H9	3.7348	3.3746	2.1604	2.2129	1.0853	4.3673	2.6163	2.6113

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Se1	C2	C4	111.473	Se1	C2	H6	120.929
Se1	C3	C5	111.473	Se1	C3	H7	120.929
C2	Se1	C3	87.729	C2	C4	C5	114.662
C2	C4	H8	122.183	C3	C5	C4	114.662
C3	C5	H9	122.183	C4	C2	H6	127.597
C4	C5	H9	123.155	C5	C3	H7	127.597
C5	C4	H8	123.155

All results from a given calculation for C₄H₄Se (selenophene)

using model chemistry: MP2/6-311G**

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: MP2/6-311G**

States and conformations

All results from a given calculation for C₄H₄Se (selenophene)