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	hartrees
Energy at 0K	-5220.260701
Energy at 298.15K	-5220.268301
HF Energy	-5220.260701
Nuclear repulsion energy	427.499254

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3284	3159	0.89
2	A₁	1657	1595	34.85
3	A₁	1192	1147	1.70
4	A₁	561	540	13.49
5	A₁	111	106	0.03
6	A₂	948	912	0.00
7	A₂	384	370	0.00
8	B₁	738	710	102.40
9	B₂	3258	3134	11.45
10	B₂	1302	1253	42.43
11	B₂	731	703	69.04
12	B₂	457	439	5.18

Atom	y (Å)	z (Å)
C1	0.665	1.306
C2	-0.665	1.306
Br3	1.733	-0.287
Br4	-1.733	-0.287
H5	1.247	2.217
H6	-1.247	2.217

	C1	C2	Br3	Br4	H5	H6
C1		1.3303	1.9182	2.8794	1.0813	2.1184
C2	1.3303		2.8794	1.9182	2.1184	1.0813
Br3	1.9182	2.8794		3.4663	2.5513	3.8931
Br4	2.8794	1.9182	3.4663		3.8931	2.5513
H5	1.0813	2.1184	2.5513	3.8931		2.4946
H6	2.1184	1.0813	3.8931	2.5513	2.4946

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Br4	123.833	C1	C2	H6	122.576
C2	C1	Br3	123.833	C2	C1	H5	122.576
Br3	C1	H5	113.591	Br4	C2	H6	113.591

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

using model chemistry: TPSSh/6-31G

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	-0.366
2	C	-0.366
3	Br	0.136
4	Br	0.136
5	H	0.230
6	H	0.230

	x	y	z	Total
	0.000	0.000	2.019	2.019
CHELPG
AIM
ESP

<r²>	284.034
(<r²>)^1/2	16.853