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	hartrees
Energy at 0K	-5221.082984
Energy at 298.15K	-5221.090655
HF Energy	-5221.082984
Nuclear repulsion energy	435.017618

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3236	3111	0.37
2	A₁	1650	1586	26.96
3	A₁	1181	1135	0.94
4	A₁	622	598	7.73
5	A₁	110	106	0.05
6	A₂	904	870	0.00
7	A₂	395	380	0.00
8	B₁	699	672	50.37
9	B₂	3213	3089	13.60
10	B₂	1281	1232	34.06
11	B₂	794	763	55.23
12	B₂	487	468	1.71

Atom	y (Å)	z (Å)
C1	0.664	1.241
C2	-0.664	1.241
Br3	1.722	-0.275
Br4	-1.722	-0.275
H5	1.215	2.174
H6	-1.215	2.174

	C1	C2	Br3	Br4	H5	H6
C1		1.3283	1.8487	2.8270	1.0836	2.0982
C2	1.3283		2.8270	1.8487	2.0982	1.0836
Br3	1.8487	2.8270		3.4439	2.5009	3.8243
Br4	2.8270	1.8487	3.4439		3.8243	2.5009
H5	1.0836	2.0982	2.5009	3.8243		2.4306
H6	2.0982	1.0836	3.8243	2.5009	2.4306

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Br4	124.903	C1	C2	H6	120.572
C2	C1	Br3	124.903	C2	C1	H5	120.572
Br3	C1	H5	114.524	Br4	C2	H6	114.524

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

using model chemistry: B3PW91/6-31G(2df,p)

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	-0.253
2	C	-0.253
3	Br	0.075
4	Br	0.075
5	H	0.178
6	H	0.178

	x	y	z	Total
	0.000	0.000	1.668	1.668
CHELPG
AIM
ESP

<r²>	277.921
(<r²>)^1/2	16.671