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	hartrees
Energy at 0K	-5219.380243
Energy at 298.15K	-5219.387838
HF Energy	-5219.291916
Nuclear repulsion energy	424.214305

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3295	3295	0.98
2	A₁	1659	1659	27.18
3	A₁	1210	1210	2.12
4	A₁	548	548	11.13
5	A₁	110	110	0.03
6	A₂	966	966	0.00
7	A₂	386	386	0.00
8	B₁	741	741	92.21
9	B₂	3269	3269	12.14
10	B₂	1319	1319	45.34
11	B₂	731	731	59.43
12	B₂	452	452	5.12

Atom	y (Å)	z (Å)
C1	0.665	1.304
C2	-0.665	1.304
Br3	1.754	-0.287
Br4	-1.754	-0.287
H5	1.241	2.220
H6	-1.241	2.220

	C1	C2	Br3	Br4	H5	H6
C1		1.3309	1.9280	2.8958	1.0811	2.1148
C2	1.3309		2.8958	1.9280	2.1148	1.0811
Br3	1.9280	2.8958		3.5074	2.5585	3.9054
Br4	2.8958	1.9280	3.5074		3.9054	2.5585
H5	1.0811	2.1148	2.5585	3.9054		2.4821
H6	2.1148	1.0811	3.9054	2.5585	2.4821

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Br4	124.363	C1	C2	H6	122.169
C2	C1	Br3	124.363	C2	C1	H5	122.169
Br3	C1	H5	113.468	Br4	C2	H6	113.468

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

using model chemistry: B2PLYP/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	-0.337
2	C	-0.337
3	Br	0.129
4	Br	0.129
5	H	0.208
6	H	0.208

	x	y	z	Total
	0.000	0.000	2.006	2.006
CHELPG
AIM
ESP

<r²>	289.244
(<r²>)^1/2	17.007