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	hartrees
Energy at 0K	-5223.352850
Energy at 298.15K	-5223.360369
HF Energy	-5223.352850
Nuclear repulsion energy	427.467412

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3185	3123	3.22
2	A₁	1600	1569	36.74
3	A₁	1156	1133	1.71
4	A₁	567	556	10.52
5	A₁	112	110	0.02
6	A₂	842	825	0.00
7	A₂	369	362	0.00
8	B₁	667	653	60.67
9	B₂	3164	3102	8.67
10	B₂	1260	1235	42.33
11	B₂	739	724	65.49
12	B₂	461	452	4.85

Atom	y (Å)	z (Å)
C1	0.669	1.270
C2	-0.669	1.270
Br3	1.751	-0.281
Br4	-1.751	-0.281
H5	1.232	2.201
H6	-1.232	2.201

	C1	C2	Br3	Br4	H5	H6
C1		1.3372	1.8909	2.8736	1.0882	2.1165
C2	1.3372		2.8736	1.8909	2.1165	1.0882
Br3	1.8909	2.8736		3.5015	2.5352	3.8802
Br4	2.8736	1.8909	3.5015		3.8802	2.5352
H5	1.0882	2.1165	2.5352	3.8802		2.4643
H6	2.1165	1.0882	3.8802	2.5352	2.4643

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Br4	124.909	C1	C2	H6	121.190
C2	C1	Br3	124.909	C2	C1	H5	121.190
Br3	C1	H5	113.901	Br4	C2	H6	113.901

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

using model chemistry: B97D3/6-31G*

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	-0.146
2	C	-0.146
3	Br	-0.053
4	Br	-0.053
5	H	0.199
6	H	0.199

	x	y	z	Total
	0.000	0.000	1.646	1.646
CHELPG
AIM
ESP

<r²>	286.222
(<r²>)^1/2	16.918