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	hartrees
Energy at 0K	-5228.420129
Energy at 298.15K	-5228.427670
HF Energy	-5228.420129
Nuclear repulsion energy	425.315754

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3160	3160	0.49
2	A₁	1579	1579	37.74
3	A₁	1152	1152	1.50
4	A₁	566	566	8.13
5	A₁	105	105	0.03
6	A₂	856	856	0.00
7	A₂	373	373	0.00
8	B₁	658	658	56.20
9	B₂	3138	3138	13.75
10	B₂	1253	1253	48.40
11	B₂	738	738	68.10
12	B₂	467	467	4.00

Atom	y (Å)	z (Å)
C1	0.665	1.248
C2	-0.665	1.248
Br3	1.776	-0.276
Br4	-1.776	-0.276
H5	1.217	2.180
H6	-1.217	2.180

	C1	C2	Br3	Br4	H5	H6
C1		1.3295	1.8862	2.8773	1.0838	2.1003
C2	1.3295		2.8773	1.8862	2.1003	1.0838
Br3	1.8862	2.8773		3.5512	2.5194	3.8720
Br4	2.8773	1.8862	3.5512		3.8720	2.5194
H5	1.0838	2.1003	2.5194	3.8720		2.4345
H6	2.1003	1.0838	3.8720	2.5194	2.4345

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Br4	126.083	C1	C2	H6	120.650
C2	C1	Br3	126.083	C2	C1	H5	120.650
Br3	C1	H5	113.267	Br4	C2	H6	113.267

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

using model chemistry: B97D3/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	-0.474
2	C	-0.474
3	Br	0.110
4	Br	0.110
5	H	0.364
6	H	0.364

	x	y	z	Total
	0.000	0.000	1.593	1.593
CHELPG
AIM
ESP

<r²>	291.968
(<r²>)^1/2	17.087