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	hartrees
Energy at 0K	-5225.036693
Energy at 298.15K	-5225.044345
HF Energy	-5225.036693
Nuclear repulsion energy	430.461908

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3237	3237	0.00
2	A₁	1656	1656	32.97
3	A₁	1177	1177	1.31
4	A₁	609	609	7.59
5	A₁	107	107	0.04
6	A₂	917	917	0.00
7	A₂	391	391	0.00
8	B₁	694	694	60.88
9	B₂	3215	3215	17.21
10	B₂	1285	1285	41.17
11	B₂	779	779	62.12
12	B₂	486	486	2.05

Atom	y (Å)	z (Å)
C1	0.661	1.240
C2	-0.661	1.240
Br3	1.750	-0.275
Br4	-1.750	-0.275
H5	1.209	2.172
H6	-1.209	2.172

	C1	C2	Br3	Br4	H5	H6
C1		1.3221	1.8651	2.8469	1.0815	2.0896
C2	1.3221		2.8469	1.8651	2.0896	1.0815
Br3	1.8651	2.8469		3.4991	2.5060	3.8393
Br4	2.8469	1.8651	3.4991		3.8393	2.5060
H5	1.0815	2.0896	2.5060	3.8393		2.4180
H6	2.0896	1.0815	3.8393	2.5060	2.4180

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Br4	125.704	C1	C2	H6	120.442
C2	C1	Br3	125.704	C2	C1	H5	120.442
Br3	C1	H5	113.854	Br4	C2	H6	113.854

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

using model chemistry: PBE1PBE/Def2TZVPP

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	-0.106
2	C	-0.106
3	Br	-0.018
4	Br	-0.018
5	H	0.124
6	H	0.124

	x	y	z	Total
	0.000	0.000	1.668	1.668
CHELPG
AIM
ESP

<r²>	284.985
(<r²>)^1/2	16.881