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	hartrees
Energy at 0K	-5224.770278
Energy at 298.15K	-5224.777801
HF Energy	-5224.770278
Nuclear repulsion energy	424.511402

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3148	3116	1.75
2	A₁	1587	1571	39.96
3	A₁	1152	1140	1.27
4	A₁	576	570	8.32
5	A₁	104	103	0.01
6	A₂	834	825	0.00
7	A₂	370	366	0.00
8	B₁	652	646	78.39
9	B₂	3127	3094	12.11
10	B₂	1249	1236	39.96
11	B₂	745	737	78.08
12	B₂	467	463	2.31

Atom	y (Å)	z (Å)
C1	0.668	1.250
C2	-0.668	1.250
Br3	1.779	-0.277
Br4	-1.779	-0.277
H5	1.223	2.189
H6	-1.223	2.189

	C1	C2	Br3	Br4	H5	H6
C1		1.3358	1.8878	2.8838	1.0912	2.1111
C2	1.3358		2.8838	1.8878	2.1111	1.0912
Br3	1.8878	2.8838		3.5575	2.5280	3.8845
Br4	2.8838	1.8878	3.5575		3.8845	2.5280
H5	1.0912	2.1111	2.5280	3.8845		2.4451
H6	2.1111	1.0912	3.8845	2.5280	2.4451

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Br4	126.045	C1	C2	H6	120.552
C2	C1	Br3	126.045	C2	C1	H5	120.552
Br3	C1	H5	113.403	Br4	C2	H6	113.403

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

using model chemistry: PBEPBE/6-311G*

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	-0.311
2	C	-0.311
3	Br	0.049
4	Br	0.049
5	H	0.263
6	H	0.263

	x	y	z	Total
	0.000	0.000	1.579	1.579
CHELPG
AIM
ESP

<r²>	292.891
(<r²>)^1/2	17.114