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	hartrees
Energy at 0K	-5221.163498
Energy at 298.15K	-5221.171226
HF Energy	-5221.163498
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3260	3260	0.51
2	A₁	1687	1687	24.48
3	A₁	1207	1207	1.22
4	A₁	630	630	7.72
5	A₁	119	119	0.06
6	A₂	936	936	0.00
7	A₂	402	402	0.00
8	B₁	712	712	50.45
9	B₂	3237	3237	13.73
10	B₂	1307	1307	34.82
11	B₂	804	804	52.18
12	B₂	495	495	1.56

Atom	y (Å)	z (Å)
C1	0.662	1.241
C2	-0.662	1.241
Br3	1.722	-0.275
Br4	-1.722	-0.275
H5	1.210	2.174
H6	-1.210	2.174

	C1	C2	Br3	Br4	H5	H6
C1		1.3247	1.8494	2.8254	1.0825	2.0922
C2	1.3247		2.8254	1.8494	2.0922	1.0825
Br3	1.8494	2.8254		3.4446	2.5022	3.8206
Br4	2.8254	1.8494	3.4446		3.8206	2.5022
H5	1.0825	2.0922	2.5022	3.8206		2.4199
H6	2.0922	1.0825	3.8206	2.5022	2.4199

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Br4	124.970	C1	C2	H6	120.392
C2	C1	Br3	124.970	C2	C1	H5	120.392
Br3	C1	H5	114.638	Br4	C2	H6	114.638

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

using model chemistry: wB97X-D/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	-0.243
2	C	-0.243
3	Br	0.062
4	Br	0.062
5	H	0.181
6	H	0.181

	x	y	z	Total
	0.000	0.000	1.734	1.734
CHELPG
AIM
ESP

<r²>	277.992
(<r²>)^1/2	16.673