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	hartrees
Energy at 0K	-2555.887961
Energy at 298.15K	-2555.890357
HF Energy	-2555.531045
Nuclear repulsion energy	310.915256

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3264	3264	2.53
2	A₁	3221	3221	9.98
3	A₁	1467	1467	16.65
4	A₁	1386	1386	2.51
5	A₁	1113	1113	3.77
6	A₁	1044	1044	2.80
7	A₁	774	774	21.45
8	A₁	463	463	0.10
9	A₂	885	885	0.00
10	A₂	674	674	0.00
11	A₂	542	542	0.00
12	B₁	862	862	0.04
13	B₁	705	705	142.65
14	B₁	399	399	2.81
15	B₂	3261	3261	2.75
16	B₂	3207	3207	5.09
17	B₂	1563	1563	0.02
18	B₂	1280	1280	22.20
19	B₂	1114	1114	1.50
20	B₂	844	844	0.92
21	B₂	631	631	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	2.342	-0.202
H7	-2.342	-0.202
H8	1.302	-2.590
H9	-1.302	-2.590

	Se1	C2	C3	C4	C5	H6	H7	H8	H9
Se1		1.8705	1.8705	2.6896	2.6896	2.5945	2.5945	3.7377	3.7377
C2	1.8705		2.5792	1.3648	2.3560	1.0798	3.6400	2.1487	3.3665
C3	1.8705	2.5792		2.3560	1.3648	3.6400	1.0798	3.3665	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	3.6400	2.1981	3.3957		4.6849	2.6049	4.3573
H7	2.5945	3.6400	1.0798	3.3957	2.1981	4.6849		4.3573	2.6049
H8	3.7377	2.1487	3.3665	1.0836	2.2131	2.6049	4.3573		2.6041
H9	3.7377	3.3665	2.1487	2.2131	1.0836	4.3573	2.6049	2.6041

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Se1	C2	C4	111.513	Se1	C2	H6	120.774
Se1	C3	C5	111.513	Se1	C3	H7	120.774
C2	Se1	C3	87.172	C2	C4	C5	114.900
C2	C4	H8	122.292	C3	C5	C4	114.900
C3	C5	H9	122.292	C4	C2	H6	127.713
C4	C5	H9	122.807	C5	C3	H7	127.713
C5	C4	H8	122.807

All results from a given calculation for C₄H₄Se (selenophene)

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

States and conformations

All results from a given calculation for C₄H₄Se (selenophene)