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	hartrees
Energy at 0K	-5225.887248
Energy at 298.15K	-5225.894860
HF Energy	-5225.887248
Nuclear repulsion energy	425.976589

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3214	3114	0.01
2	A₁	1627	1576	34.84
3	A₁	1182	1146	1.72
4	A₁	579	561	7.71
5	A₁	107	103	0.04
6	A₂	909	881	0.00
7	A₂	385	373	0.00
8	B₁	686	665	56.16
9	B₂	3193	3093	16.61
10	B₂	1288	1248	50.07
11	B₂	758	734	64.27
12	B₂	475	460	3.39

Atom	y (Å)	z (Å)
C1	0.661	1.246
C2	-0.661	1.246
Br3	1.773	-0.276
Br4	-1.773	-0.276
H5	1.210	2.175
H6	-1.210	2.175

	C1	C2	Br3	Br4	H5	H6
C1		1.3217	1.8850	2.8707	1.0790	2.0886
C2	1.3217		2.8707	1.8850	2.0886	1.0790
Br3	1.8850	2.8707		3.5469	2.5144	3.8607
Br4	2.8707	1.8850	3.5469		3.8607	2.5144
H5	1.0790	2.0886	2.5144	3.8607		2.4198
H6	2.0886	1.0790	3.8607	2.5144	2.4198

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Br4	126.176	C1	C2	H6	120.587
C2	C1	Br3	126.176	C2	C1	H5	120.587
Br3	C1	H5	113.237	Br4	C2	H6	113.237

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

using model chemistry: B3LYP/aug-cc-pVQZ

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	-0.532
2	C	-0.532
3	Br	0.144
4	Br	0.144
5	H	0.388
6	H	0.388

	x	y	z	Total
	0.000	0.000	1.641	1.641
CHELPG
AIM
ESP

<r²>	291.462
(<r²>)^1/2	17.072