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	hartrees
Energy at 0K	-2543.719014
Energy at 298.15K	-2543.721511
HF Energy	-2543.547497
Nuclear repulsion energy	309.162060

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3285	3285	3.28
2	A₁	3244	3244	3.25
3	A₁	1441	1441	14.64
4	A₁	1401	1401	3.10
5	A₁	1155	1155	4.13
6	A₁	1031	1031	1.51
7	A₁	784	784	21.35
8	A₁	474	474	0.14
9	A₂	936	936	0.00
10	A₂	711	711	0.00
11	A₂	565	565	0.00
12	B₁	911	911	0.02
13	B₁	726	726	139.04
14	B₁	408	408	2.42
15	B₂	3282	3282	0.94
16	B₂	3230	3230	3.34
17	B₂	1554	1554	0.20
18	B₂	1320	1320	22.86
19	B₂	1146	1146	1.21
20	B₂	872	872	0.68
21	B₂	638	638	0.36

Atom	y (Å)	z (Å)
Se1	0.000	0.920
C2	1.297	-0.448
C3	-1.297	-0.448
C4	0.720	-1.689
C5	-0.720	-1.689
H6	2.349	-0.211
H7	-2.349	-0.211
H8	1.301	-2.601
H9	-1.301	-2.601

	Se1	C2	C3	C4	C5	H6	H7	H8	H9
Se1		1.8848	1.8848	2.7059	2.7059	2.6068	2.6068	3.7533	3.7533
C2	1.8848		2.5934	1.3681	2.3675	1.0785	3.6532	2.1528	3.3736
C3	1.8848	2.5934		2.3675	1.3681	3.6532	1.0785	3.3736	2.1528
C4	2.7059	1.3681	2.3675		1.4396	2.1994	3.4059	1.0815	2.2170
C5	2.7059	2.3675	1.3681	1.4396		3.4059	2.1994	2.2170	1.0815
H6	2.6068	1.0785	3.6532	2.1994	3.4059		4.6975	2.6097	4.3625
H7	2.6068	3.6532	1.0785	3.4059	2.1994	4.6975		4.3625	2.6097
H8	3.7533	2.1528	3.3736	1.0815	2.2170	2.6097	4.3625		2.6015
H9	3.7533	3.3736	2.1528	2.2170	1.0815	4.3625	2.6097	2.6015

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Se1	C2	C4	111.591	Se1	C2	H6	120.764
Se1	C3	C5	111.591	Se1	C3	H7	120.764
C2	Se1	C3	86.939	C2	C4	C5	114.940
C2	C4	H8	122.572	C3	C5	C4	114.940
C3	C5	H9	122.572	C4	C2	H6	127.646
C4	C5	H9	122.488	C5	C3	H7	127.646
C5	C4	H8	122.488

All results from a given calculation for C₄H₄Se (selenophene)

using model chemistry: B2PLYP=FULL/3-21G*

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/3-21G*

States and conformations

All results from a given calculation for C₄H₄Se (selenophene)