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	hartrees
Energy at 0K	-5224.908476
Energy at 298.15K	-5224.916109
HF Energy	-5224.908476
Nuclear repulsion energy	428.182531

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3242	3111	1.43
2	A₁	1659	1592	36.45
3	A₁	1196	1148	1.35
4	A₁	600	575	8.46
5	A₁	108	104	0.02
6	A₂	900	864	0.00
7	A₂	386	371	0.00
8	B₁	690	662	79.87
9	B₂	3220	3090	13.68
10	B₂	1299	1247	41.37
11	B₂	776	744	75.19
12	B₂	483	464	2.10

Atom	y (Å)	z (Å)
C1	0.662	1.242
C2	-0.662	1.242
Br3	1.762	-0.275
Br4	-1.762	-0.275
H5	1.211	2.175
H6	-1.211	2.175

	C1	C2	Br3	Br4	H5	H6
C1		1.3248	1.8732	2.8596	1.0831	2.0932
C2	1.3248		2.8596	1.8732	2.0932	1.0831
Br3	1.8732	2.8596		3.5239	2.5117	3.8527
Br4	2.8596	1.8732	3.5239		3.8527	2.5117
H5	1.0831	2.0932	2.5117	3.8527		2.4219
H6	2.0932	1.0831	3.8527	2.5117	2.4219

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Br4	125.943	C1	C2	H6	120.430
C2	C1	Br3	125.943	C2	C1	H5	120.430
Br3	C1	H5	113.628	Br4	C2	H6	113.628

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

using model chemistry: HSEh1PBE/6-311G*

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	-0.322
2	C	-0.322
3	Br	0.045
4	Br	0.045
5	H	0.278
6	H	0.278

	x	y	z	Total
	0.000	0.000	1.688	1.688
CHELPG
AIM
ESP

<r²>	288.133
(<r²>)^1/2	16.974