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	hartrees
Energy at 0K	-104.116481
Energy at 298.15K	-104.123997
HF Energy	-104.116481
Nuclear repulsion energy	73.282941

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3257	3131	3.89
2	A₁	1629	1566	40.70
3	A₁	1192	1146	2.05
4	A₁	537	516	11.19
5	A₁	106	102	0.01
6	A₂	903	869	0.00
7	A₂	372	357	0.00
8	B₁	694	667	120.05
9	B₂	3229	3104	21.61
10	B₂	1281	1231	49.28
11	B₂	728	700	87.43
12	B₂	449	432	4.93

Atom	y (Å)	z (Å)
C1	0.670	1.279
C2	-0.670	1.279
Br3	1.816	-0.282
Br4	-1.816	-0.282
H5	1.234	2.207
H6	-1.234	2.207

	C1	C2	Br3	Br4	H5	H6
C1		1.3408	1.9365	2.9358	1.0858	2.1187
C2	1.3408		2.9358	1.9365	2.1187	1.0858
Br3	1.9365	2.9358		3.6314	2.5565	3.9369
Br4	2.9358	1.9365	3.6314		3.9369	2.5565
H5	1.0858	2.1187	2.5565	3.9369		2.4684
H6	2.1187	1.0858	3.9369	2.5565	2.4684

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Br4	126.259	C1	C2	H6	121.279
C2	C1	Br3	126.259	C2	C1	H5	121.279
Br3	C1	H5	112.462	Br4	C2	H6	112.462

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

using model chemistry: B3LYP/SDD

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	-0.316
2	C	-0.316
3	Br	0.056
4	Br	0.056
5	H	0.259
6	H	0.259

	x	y	z	Total
	0.000	0.000	2.042	2.042
CHELPG
AIM
ESP

<r²>	110.571
(<r²>)^1/2	10.515