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	hartrees
Energy at 0K	-5225.819137
Energy at 298.15K	-5225.826811
HF Energy	-5225.819137
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3253	3107	0.02
2	A₁	1674	1599	31.12
3	A₁	1204	1150	1.73
4	A₁	605	578	7.44
5	A₁	111	106	0.05
6	A₂	938	896	0.00
7	A₂	395	378	0.00
8	B₁	699	668	60.93
9	B₂	3230	3085	16.96
10	B₂	1309	1250	44.12
11	B₂	780	745	60.92
12	B₂	487	465	2.26

Atom	y (Å)	z (Å)
C1	0.660	1.240
C2	-0.660	1.240
Br3	1.759	-0.275
Br4	-1.759	-0.275
H5	1.203	2.173
H6	-1.203	2.173

	C1	C2	Br3	Br4	H5	H6
C1		1.3199	1.8714	2.8540	1.0799	2.0839
C2	1.3199		2.8540	1.8714	2.0839	1.0799
Br3	1.8714	2.8540		3.5177	2.5104	3.8429
Br4	2.8540	1.8714	3.5177		3.8429	2.5104
H5	1.0799	2.0839	2.5104	3.8429		2.4065
H6	2.0839	1.0799	3.8429	2.5104	2.4065

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Br4	125.958	C1	C2	H6	120.204
C2	C1	Br3	125.958	C2	C1	H5	120.204
Br3	C1	H5	113.838	Br4	C2	H6	113.838

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

using model chemistry: wB97X-D/Def2TZVPP

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	0.127
6	H	0.127

	x	y	z	Total
	0.000	0.000	1.721	1.721
CHELPG
AIM
ESP

<r²>	287.265
(<r²>)^1/2	16.949