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	hartrees
Energy at 0K	-5221.819404
Energy at 298.15K	-5221.827222
HF Energy	-5221.819404
Nuclear repulsion energy	427.719818

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3380	3077	0.32
2	A₁	1782	1623	32.68
3	A₁	1290	1174	2.98
4	A₁	619	564	8.94
5	A₁	117	107	0.09
6	A₂	1047	954	0.00
7	A₂	420	382	0.00
8	B₁	773	704	60.29
9	B₂	3354	3054	18.27
10	B₂	1404	1278	64.93
11	B₂	817	744	60.90
12	B₂	507	461	3.64

Atom	y (Å)	z (Å)
C1	0.654	1.234
C2	-0.654	1.234
Br3	1.770	-0.273
Br4	-1.770	-0.273
H5	1.190	2.160
H6	-1.190	2.160

	C1	C2	Br3	Br4	H5	H6
C1		1.3079	1.8756	2.8546	1.0700	2.0635
C2	1.3079		2.8546	1.8756	2.0635	1.0700
Br3	1.8756	2.8546		3.5406	2.5013	3.8320
Br4	2.8546	1.8756	3.5406		3.8320	2.5013
H5	1.0700	2.0635	2.5013	3.8320		2.3802
H6	2.0635	1.0700	3.8320	2.5013	2.3802

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Br4	126.527	C1	C2	H6	120.074
C2	C1	Br3	126.527	C2	C1	H5	120.074
Br3	C1	H5	113.399	Br4	C2	H6	113.399

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

using model chemistry: HF/aug-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	-0.403
2	C	-0.403
3	Br	0.029
4	Br	0.029
5	H	0.374
6	H	0.374

	x	y	z	Total
	0.000	0.000	1.967	1.967
CHELPG
AIM
ESP

<r²>	290.060
(<r²>)^1/2	17.031