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	hartrees
Energy at 0K	-5225.747428
Energy at 298.15K	-5225.754930
HF Energy	-5225.747428
Nuclear repulsion energy	421.105918

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3140	3140	0.34
2	A₁	1562	1562	37.58
3	A₁	1147	1147	1.84
4	A₁	551	551	8.11
5	A₁	102	102	0.03
6	A₂	854	854	0.00
7	A₂	372	372	0.00
8	B₁	657	657	58.07
9	B₂	3119	3119	13.32
10	B₂	1246	1246	49.50
11	B₂	726	726	68.10
12	B₂	457	457	4.05

Atom	y (Å)	z (Å)
C1	0.666	1.254
C2	-0.666	1.254
Br3	1.798	-0.277
Br4	-1.798	-0.277
H5	1.219	2.189
H6	-1.219	2.189

	C1	C2	Br3	Br4	H5	H6
C1		1.3326	1.9040	2.9013	1.0862	2.1046
C2	1.3326		2.9013	1.9040	2.1046	1.0862
Br3	1.9040	2.9013		3.5961	2.5331	3.8968
Br4	2.9013	1.9040	3.5961		3.8968	2.5331
H5	1.0862	2.1046	2.5331	3.8968		2.4384
H6	2.1046	1.0862	3.8968	2.5331	2.4384

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Br4	126.469	C1	C2	H6	120.600
C2	C1	Br3	126.469	C2	C1	H5	120.600
Br3	C1	H5	112.931	Br4	C2	H6	112.931

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

using model chemistry: BLYP/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	-0.115
2	C	-0.115
3	Br	-0.018
4	Br	-0.018
5	H	0.133
6	H	0.133

	x	y	z	Total
	0.000	0.000	1.587	1.587
CHELPG
AIM
ESP

<r²>	298.172
(<r²>)^1/2	17.268