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	hartrees
Energy at 0K	-5167.917674
Energy at 298.15K	-5167.925250
HF Energy	-5167.917674
Nuclear repulsion energy	427.319366

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3490	3082	3.52
2	A₁	1795	1585	19.81
3	A₁	1289	1138	0.10
4	A₁	675	596	10.33
5	A₁	106	93	0.10
6	A₂	996	879	0.00
7	A₂	403	356	0.00
8	B₁	740	653	22.57
9	B₂	3466	3061	46.07
10	B₂	1435	1267	51.43
11	B₂	869	768	35.64
12	B₂	528	466	3.81

Atom	y (Å)	z (Å)
C1	0.670	1.240
C2	-0.670	1.240
Br3	1.766	-0.275
Br4	-1.766	-0.275
H5	1.204	2.199
H6	-1.204	2.199

	C1	C2	Br3	Br4	H5	H6
C1		1.3396	1.8701	2.8684	1.0978	2.1050
C2	1.3396		2.8684	1.8701	2.1050	1.0978
Br3	1.8701	2.8684		3.5314	2.5373	3.8654
Br4	2.8684	1.8701	3.5314		3.8654	2.5373
H5	1.0978	2.1050	2.5373	3.8654		2.4080
H6	2.1050	1.0978	3.8654	2.5373	2.4080

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Br4	125.874	C1	C2	H6	119.117
C2	C1	Br3	125.874	C2	C1	H5	119.117
Br3	C1	H5	115.009	Br4	C2	H6	115.009

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

using model chemistry: HSEh1PBE/STO-3G

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	-0.153
2	C	-0.153
3	Br	0.046
4	Br	0.046
5	H	0.107
6	H	0.107

	x	y	z	Total
	0.000	0.000	1.506	1.506
CHELPG
AIM
ESP

<r²>	287.021
(<r²>)^1/2	16.942