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	hartrees
Energy at 0K	-5225.874793
Energy at 298.15K	-5225.882408
HF Energy	-5225.874793
Nuclear repulsion energy	425.504423

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3216	3109	0.23
2	A₁	1631	1577	34.37
3	A₁	1183	1143	1.93
4	A₁	579	559	8.19
5	A₁	106	103	0.04
6	A₂	907	877	0.00
7	A₂	386	373	0.00
8	B₁	687	664	60.26
9	B₂	3194	3088	16.31
10	B₂	1287	1244	49.48
11	B₂	757	731	66.24
12	B₂	474	458	3.26

Atom	y (Å)	z (Å)
C1	0.661	1.246
C2	-0.661	1.246
Br3	1.776	-0.276
Br4	-1.776	-0.276
H5	1.210	2.175
H6	-1.210	2.175

	C1	C2	Br3	Br4	H5	H6
C1		1.3219	1.8866	2.8732	1.0795	2.0892
C2	1.3219		2.8732	1.8866	2.0892	1.0795
Br3	1.8866	2.8732		3.5524	2.5156	3.8635
Br4	2.8732	1.8866	3.5524		3.8635	2.5156
H5	1.0795	2.0892	2.5156	3.8635		2.4203
H6	2.0892	1.0795	3.8635	2.5156	2.4203

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Br4	126.236	C1	C2	H6	120.580
C2	C1	Br3	126.236	C2	C1	H5	120.580
Br3	C1	H5	113.184	Br4	C2	H6	113.184

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

using model chemistry: B3LYP/cc-pVTZ

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	-0.144
2	C	-0.144
3	Br	-0.010
4	Br	-0.010
5	H	0.154
6	H	0.154

	x	y	z	Total
	0.000	0.000	1.683	1.683
CHELPG
AIM
ESP

<r²>	292.010
(<r²>)^1/2	17.088