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	hartrees
Energy at 0K	-5221.712732
Energy at 298.15K	-5221.720541
HF Energy	-5221.712732
Nuclear repulsion energy	426.686064

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3390	3080	0.60
2	A₁	1790	1626	35.46
3	A₁	1296	1178	2.89
4	A₁	613	557	10.75
5	A₁	117	107	0.07
6	A₂	1052	955	0.00
7	A₂	419	381	0.00
8	B₁	775	704	72.15
9	B₂	3366	3058	18.51
10	B₂	1407	1278	69.22
11	B₂	816	741	69.47
12	B₂	504	458	4.01

Atom	y (Å)	z (Å)
C1	0.653	1.238
C2	-0.653	1.238
Br3	1.774	-0.274
Br4	-1.774	-0.274
H5	1.193	2.164
H6	-1.193	2.164

	C1	C2	Br3	Br4	H5	H6
C1		1.3069	1.8824	2.8602	1.0710	2.0652
C2	1.3069		2.8602	1.8824	2.0652	1.0710
Br3	1.8824	2.8602		3.5485	2.5061	3.8400
Br4	2.8602	1.8824	3.5485		3.8400	2.5061
H5	1.0710	2.0652	2.5061	3.8400		2.3856
H6	2.0652	1.0710	3.8400	2.5061	2.3856

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Br4	126.541	C1	C2	H6	120.237
C2	C1	Br3	126.541	C2	C1	H5	120.237
Br3	C1	H5	113.222	Br4	C2	H6	113.222

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

using model chemistry: HF/TZVP

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	-0.082
2	C	-0.082
3	Br	-0.083
4	Br	-0.083
5	H	0.165
6	H	0.165

	x	y	z	Total
	0.000	0.000	2.058	2.058
CHELPG
AIM
ESP

<r²>	291.173
(<r²>)^1/2	17.064