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	hartrees
Energy at 0K	-5200.985017
Energy at 298.15K	-5200.992711
HF Energy	-5200.985017
Nuclear repulsion energy	433.411521

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3247	3115	0.52
2	A₁	1645	1578	31.65
3	A₁	1212	1162	0.88
4	A₁	623	598	8.50
5	A₁	111	107	0.01
6	A₂	948	909	0.00
7	A₂	398	381	0.00
8	B₁	716	687	85.26
9	B₂	3222	3091	12.92
10	B₂	1332	1278	28.81
11	B₂	789	757	58.50
12	B₂	489	469	1.51

Atom	y (Å)	z (Å)
C1	0.664	1.277
C2	-0.664	1.277
Br3	1.713	-0.282
Br4	-1.713	-0.282
H5	1.234	2.198
H6	-1.234	2.198

	C1	C2	Br3	Br4	H5	H6
C1		1.3286	1.8786	2.8427	1.0835	2.1104
C2	1.3286		2.8427	1.8786	2.1104	1.0835
Br3	1.8786	2.8427		3.4260	2.5257	3.8519
Br4	2.8427	1.8786	3.4260		3.8519	2.5257
H5	1.0835	2.1104	2.5257	3.8519		2.4689
H6	2.1104	1.0835	3.8519	2.5257	2.4689

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Br4	123.936	C1	C2	H6	121.750
C2	C1	Br3	123.936	C2	C1	H5	121.750
Br3	C1	H5	114.314	Br4	C2	H6	114.314

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

using model chemistry: B3PW91/3-21G*

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	-0.277
2	C	-0.277
3	Br	0.009
4	Br	0.009
5	H	0.268
6	H	0.268

	x	y	z	Total
	0.000	0.000	1.503	1.503
CHELPG
AIM
ESP

<r²>	277.215
(<r²>)^1/2	16.650