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	hartrees
Energy at 0K	-5225.919375
Energy at 298.15K	-5225.927048
HF Energy	-5225.919375
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3246	3246	0.04
2	A₁	1670	1670	30.49
3	A₁	1204	1204	1.67
4	A₁	605	605	7.23
5	A₁	111	111	0.05
6	A₂	934	934	0.00
7	A₂	393	393	0.00
8	B₁	695	695	58.46
9	B₂	3224	3224	17.08
10	B₂	1309	1309	45.52
11	B₂	779	779	60.08
12	B₂	486	486	2.24

Atom	y (Å)	z (Å)
C1	0.660	1.241
C2	-0.660	1.241
Br3	1.757	-0.275
Br4	-1.757	-0.275
H5	1.203	2.173
H6	-1.203	2.173

	C1	C2	Br3	Br4	H5	H6
C1		1.3193	1.8712	2.8527	1.0792	2.0831
C2	1.3193		2.8527	1.8712	2.0831	1.0792
Br3	1.8712	2.8527		3.5143	2.5098	3.8413
Br4	2.8527	1.8712	3.5143		3.8413	2.5098
H5	1.0792	2.0831	2.5098	3.8413		2.4063
H6	2.0831	1.0792	3.8413	2.5098	2.4063

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Br4	125.911	C1	C2	H6	120.238
C2	C1	Br3	125.911	C2	C1	H5	120.238
Br3	C1	H5	113.851	Br4	C2	H6	113.851

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

using model chemistry: wB97X-D/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	-0.117
2	C	-0.117
3	Br	0.010
4	Br	0.010
5	H	0.107
6	H	0.107

	x	y	z	Total
	0.000	0.000	1.702	1.702
CHELPG
AIM
ESP

<r²>	286.872
(<r²>)^1/2	16.937