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	hartrees
Energy at 0K	-5221.819673
Energy at 298.15K	-5221.827477
HF Energy	-5221.819673
Nuclear repulsion energy	427.720588

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3380	3058	0.32
2	A₁	1782	1612	32.60
3	A₁	1290	1167	2.97
4	A₁	619	560	8.96
5	A₁	117	106	0.09
6	A₂	1050	950	0.00
7	A₂	420	380	0.00
8	B₁	773	700	60.10
9	B₂	3355	3035	18.21
10	B₂	1404	1270	64.92
11	B₂	818	740	60.94
12	B₂	507	459	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		1.3078	1.8756	2.8545	1.0699	2.0634
C2	1.3078		2.8545	1.8756	2.0634	1.0699
Br3	1.8756	2.8545		3.5407	2.5013	3.8319
Br4	2.8545	1.8756	3.5407		3.8319	2.5013
H5	1.0699	2.0634	2.5013	3.8319		2.3800
H6	2.0634	1.0699	3.8319	2.5013	2.3800

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Br4	126.531	C1	C2	H6	120.069
C2	C1	Br3	126.531	C2	C1	H5	120.069
Br3	C1	H5	113.400	Br4	C2	H6	113.400

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

using model chemistry: HF/daug-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	-0.633
2	C	-0.633
3	Br	0.079
4	Br	0.079
5	H	0.554
6	H	0.554

	x	y	z	Total
	0.000	0.000	1.968	1.968
CHELPG
AIM
ESP

<r²>	290.064
(<r²>)^1/2	17.031