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	hartrees
Energy at 0K	-5219.886803
Energy at 298.15K	-5219.894348
HF Energy	-5219.886803
Nuclear repulsion energy	429.167883

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3175	3131	0.44
2	A₁	1599	1577	35.82
3	A₁	1136	1120	1.21
4	A₁	584	576	9.52
5	A₁	111	109	0.02
6	A₂	842	830	0.00
7	A₂	373	368	0.00
8	B₁	665	656	60.61
9	B₂	3154	3110	13.38
10	B₂	1237	1220	35.89
11	B₂	747	737	64.74
12	B₂	467	460	3.16

Atom	y (Å)	z (Å)
C1	0.670	1.270
C2	-0.670	1.270
Br3	1.740	-0.281
Br4	-1.740	-0.281
H5	1.236	2.203
H6	-1.236	2.203

	C1	C2	Br3	Br4	H5	H6
C1		1.3395	1.8841	2.8657	1.0915	2.1221
C2	1.3395		2.8657	1.8841	2.1221	1.0915
Br3	1.8841	2.8657		3.4809	2.5339	3.8765
Br4	2.8657	1.8841	3.4809		3.8765	2.5339
H5	1.0915	2.1221	2.5339	3.8765		2.4726
H6	2.1221	1.0915	3.8765	2.5339	2.4726

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Br4	124.632	C1	C2	H6	121.268
C2	C1	Br3	124.632	C2	C1	H5	121.268
Br3	C1	H5	114.100	Br4	C2	H6	114.100

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

using model chemistry: PBEPBE/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	-0.116
2	C	-0.116
3	Br	-0.048
4	Br	-0.048
5	H	0.164
6	H	0.164

	x	y	z	Total
	0.000	0.000	1.582	1.582
CHELPG
AIM
ESP

<r²>	283.926
(<r²>)^1/2	16.850