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	hartrees
Energy at 0K	-2555.887980
Energy at 298.15K
HF Energy	-2555.531063
Nuclear repulsion energy	310.907893

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3263	3263	2.55
2	A₁	3220	3220	9.96
3	A₁	1467	1467	16.65
4	A₁	1386	1386	2.50
5	A₁	1113	1113	3.77
6	A₁	1044	1044	2.82
7	A₁	773	773	21.43
8	A₁	462	462	0.10
9	A₂	885	885	0.00
10	A₂	675	675	0.00
11	A₂	542	542	0.00
12	B₁	862	862	0.04
13	B₁	706	706	142.66
14	B₁	400	400	2.81
15	B₂	3261	3261	2.75
16	B₂	3206	3206	5.08
17	B₂	1563	1563	0.02
18	B₂	1280	1280	22.22
19	B₂	1114	1114	1.50
20	B₂	844	844	0.92
21	B₂	630	630	0.74

Atom	y (Å)	z (Å)
Se1	0.000	0.913
C2	1.290	-0.442
C3	-1.290	-0.442
C4	0.715	-1.680
C5	-0.715	-1.680
H6	2.343	-0.202
H7	-2.343	-0.202
H8	1.302	-2.591
H9	-1.302	-2.591

	Se1	C2	C3	C4	C5	H6	H7	H8	H9
Se1		1.8706	1.8706	2.6896	2.6896	2.5945	2.5945	3.7377	3.7377
C2	1.8706		2.5793	1.3648	2.3560	1.0798	3.6401	2.1487	3.3666
C3	1.8706	2.5793		2.3560	1.3648	3.6401	1.0798	3.3666	2.1487
C4	2.6896	1.3648	2.3560		1.4299	2.1981	3.3957	1.0836	2.2131
C5	2.6896	2.3560	1.3648	1.4299		3.3957	2.1981	2.2131	1.0836
H6	2.5945	1.0798	3.6401	2.1981	3.3957		4.6850	2.6049	4.3573
H7	2.5945	3.6401	1.0798	3.3957	2.1981	4.6850		4.3573	2.6049
H8	3.7377	2.1487	3.3666	1.0836	2.2131	2.6049	4.3573		2.6041
H9	3.7377	3.3666	2.1487	2.2131	1.0836	4.3573	2.6049	2.6041

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Se1	C2	C4	111.511	Se1	C2	H6	120.773
Se1	C3	C5	111.511	Se1	C3	H7	120.773
C2	Se1	C3	87.172	C2	C4	C5	114.903
C2	C4	H8	122.290	C3	C5	C4	114.903
C3	C5	H9	122.290	C4	C2	H6	127.716
C4	C5	H9	122.807	C5	C3	H7	127.716
C5	C4	H8	122.807

All results from a given calculation for C₄H₄Se (selenophene)

using model chemistry: B2PLYP=FULLultrafine/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: B2PLYP=FULLultrafine/6-311G*

States and conformations

All results from a given calculation for C₄H₄Se (selenophene)