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	hartrees
Energy at 0K	-5201.003462
Energy at 298.15K	-5201.011027
HF Energy	-5201.003462
Nuclear repulsion energy	426.687293

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3153	3133	2.26
2	A₁	1567	1556	35.94
3	A₁	1175	1167	1.56
4	A₁	578	574	8.84
5	A₁	106	105	0.01
6	A₂	882	876	0.00
7	A₂	382	379	0.00
8	B₁	679	674	72.50
9	B₂	3129	3108	8.73
10	B₂	1290	1282	34.52
11	B₂	746	741	59.82
12	B₂	465	462	2.64

Atom	y (Å)	z (Å)
C1	0.669	1.290
C2	-0.669	1.290
Br3	1.745	-0.284
Br4	-1.745	-0.284
H5	1.244	2.216
H6	-1.244	2.216

	C1	C2	Br3	Br4	H5	H6
C1		1.3387	1.9070	2.8825	1.0897	2.1257
C2	1.3387		2.8825	1.9070	2.1257	1.0897
Br3	1.9070	2.8825		3.4899	2.5501	3.8971
Br4	2.8825	1.9070	3.4899		3.8971	2.5501
H5	1.0897	2.1257	2.5501	3.8971		2.4883
H6	2.1257	1.0897	3.8971	2.5501	2.4883

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Br4	124.335	C1	C2	H6	121.836
C2	C1	Br3	124.335	C2	C1	H5	121.836
Br3	C1	H5	113.829	Br4	C2	H6	113.829

All results from a given calculation for CHBrCHBr (Ethene, 1,2-dibromo-, (Z)-)

using model chemistry: BLYP/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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Number	Element	Mulliken
1	C	-0.227
2	C	-0.227
3	Br	0.005
4	Br	0.005
5	H	0.222
6	H	0.222

	x	y	z	Total
	0.000	0.000	1.373	1.373
CHELPG
AIM
ESP

<r²>	285.799
(<r²>)^1/2	16.906