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	hartrees
Energy at 0K	-5228.245187
Energy at 298.15K	-5228.252709
HF Energy	-5228.245187
Nuclear repulsion energy	423.312595

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3166	3121	2.02
2	A₁	1584	1561	41.15
3	A₁	1155	1139	1.87
4	A₁	559	551	9.46
5	A₁	106	104	0.02
6	A₂	843	831	0.00
7	A₂	368	363	0.00
8	B₁	656	647	72.06
9	B₂	3144	3099	12.63
10	B₂	1252	1234	46.43
11	B₂	734	723	79.16
12	B₂	462	455	4.09

Atom	y (Å)	z (Å)
C1	0.667	1.251
C2	-0.667	1.251
Br3	1.786	-0.277
Br4	-1.786	-0.277
H5	1.220	2.185
H6	-1.220	2.185

	C1	C2	Br3	Br4	H5	H6
C1		1.3333	1.8939	2.8895	1.0859	2.1055
C2	1.3333		2.8895	1.8939	2.1055	1.0859
Br3	1.8939	2.8895		3.5720	2.5261	3.8857
Br4	2.8895	1.8939	3.5720		3.8857	2.5261
H5	1.0859	2.1055	2.5261	3.8857		2.4406
H6	2.1055	1.0859	3.8857	2.5261	2.4406

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Br4	126.229	C1	C2	H6	120.654
C2	C1	Br3	126.229	C2	C1	H5	120.654
Br3	C1	H5	113.117	Br4	C2	H6	113.117

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

using model chemistry: B97D3/6-311G**

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	-0.193
2	C	-0.193
3	Br	0.023
4	Br	0.023
5	H	0.170
6	H	0.170

	x	y	z	Total
	0.000	0.000	1.640	1.640
CHELPG
AIM
ESP

<r²>	294.512
(<r²>)^1/2	17.161