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	hartrees
Energy at 0K	-103.689184
Energy at 298.15K	-103.696694
HF Energy	-103.689184
Nuclear repulsion energy	73.105619

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3257	3131	4.33
2	A₁	1629	1566	37.44
3	A₁	1198	1151	1.72
4	A₁	529	509	10.84
5	A₁	104	100	0.02
6	A₂	909	874	0.00
7	A₂	375	360	0.00
8	B₁	696	669	118.18
9	B₂	3229	3104	17.08
10	B₂	1284	1235	44.88
11	B₂	723	695	75.51
12	B₂	448	431	5.27

Atom	y (Å)	z (Å)
C1	0.670	1.283
C2	-0.670	1.283
Br3	1.824	-0.283
Br4	-1.824	-0.283
H5	1.230	2.213
H6	-1.230	2.213

	C1	C2	Br3	Br4	H5	H6
C1		1.3404	1.9449	2.9447	1.0854	2.1154
C2	1.3404		2.9447	1.9449	2.1154	1.0854
Br3	1.9449	2.9447		3.6473	2.5656	3.9438
Br4	2.9447	1.9449	3.6473		3.9438	2.5656
H5	1.0854	2.1154	2.5656	3.9438		2.4597
H6	2.1154	1.0854	3.9438	2.5656	2.4597

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Br4	126.375	C1	C2	H6	121.039
C2	C1	Br3	126.375	C2	C1	H5	121.039
Br3	C1	H5	112.586	Br4	C2	H6	112.586

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

using model chemistry: B3LYP/LANL2DZ

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	-0.288
2	C	-0.288
3	Br	0.020
4	Br	0.020
5	H	0.268
6	H	0.268

	x	y	z	Total
	0.000	0.000	2.006	2.006
CHELPG
AIM
ESP

<r²>	111.306
(<r²>)^1/2	10.550