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	hartrees
Energy at 0K	-5228.259805
Energy at 298.15K	-5228.267340
HF Energy	-5228.259805
Nuclear repulsion energy	424.971351

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3159	3118	0.53
2	A₁	1578	1558	37.33
3	A₁	1150	1135	1.48
4	A₁	565	557	8.10
5	A₁	106	104	0.03
6	A₂	854	843	0.00
7	A₂	372	367	0.00
8	B₁	659	650	57.01
9	B₂	3137	3096	13.71
10	B₂	1248	1232	48.10
11	B₂	736	726	68.49
12	B₂	464	458	4.00

Atom	y (Å)	z (Å)
C1	0.665	1.249
C2	-0.665	1.249
Br3	1.777	-0.276
Br4	-1.777	-0.276
H5	1.219	2.181
H6	-1.219	2.181

	C1	C2	Br3	Br4	H5	H6
C1		1.3301	1.8875	2.8794	1.0843	2.1017
C2	1.3301		2.8794	1.8875	2.1017	1.0843
Br3	1.8875	2.8794		3.5549	2.5200	3.8748
Br4	2.8794	1.8875	3.5549		3.8748	2.5200
H5	1.0843	2.1017	2.5200	3.8748		2.4371
H6	2.1017	1.0843	3.8748	2.5200	2.4371

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Br4	126.111	C1	C2	H6	120.696
C2	C1	Br3	126.111	C2	C1	H5	120.696
Br3	C1	H5	113.193	Br4	C2	H6	113.193

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

using model chemistry: B97D3/6-311+G(3df,2p)

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	-0.090
2	C	-0.090
3	Br	-0.049
4	Br	-0.049
5	H	0.139
6	H	0.139

	x	y	z	Total
	0.000	0.000	1.611	1.611
CHELPG
AIM
ESP

<r²>	292.446
(<r²>)^1/2	17.101