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	hartrees
Energy at 0K	-5225.874769
Energy at 298.15K	-5225.882376
HF Energy	-5225.874769
Nuclear repulsion energy	425.503457

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3215	3108	0.22
2	A₁	1630	1575	34.34
3	A₁	1182	1143	1.94
4	A₁	573	554	8.27
5	A₁	106	103	0.04
6	A₂	907	877	0.00
7	A₂	386	373	0.00
8	B₁	687	664	60.25
9	B₂	3194	3087	16.41
10	B₂	1286	1243	49.14
11	B₂	752	727	66.25
12	B₂	471	455	3.70

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	2.0891
C2	1.3219		2.8732	1.8866	2.0891	1.0795
Br3	1.8866	2.8732		3.5524	2.5157	3.8634
Br4	2.8732	1.8866	3.5524		3.8634	2.5157
H5	1.0795	2.0891	2.5157	3.8634		2.4200
H6	2.0891	1.0795	3.8634	2.5157	2.4200

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Br4	126.237	C1	C2	H6	120.572
C2	C1	Br3	126.237	C2	C1	H5	120.572
Br3	C1	H5	113.192	Br4	C2	H6	113.192

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

using model chemistry: B3LYPultrafine/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>	292.013
(<r²>)^1/2	17.088