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	hartrees
Energy at 0K	-5224.688876
Energy at 298.15K	-5224.696491
HF Energy	-5224.512016
Nuclear repulsion energy	425.743715

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3242	3242	0.79
2	A₁	1626	1626	33.21
3	A₁	1195	1195	2.17
4	A₁	586	586	8.28
5	A₁	109	109	0.02
6	A₂	893	893	0.00
7	A₂	378	378	0.00
8	B₁	688	688	71.09
9	B₂	3220	3220	16.12
10	B₂	1297	1297	45.72
11	B₂	766	766	69.83
12	B₂	475	475	2.46

Atom	y (Å)	z (Å)
C1	0.665	1.248
C2	-0.665	1.248
Br3	1.773	-0.276
Br4	-1.773	-0.276
H5	1.212	2.180
H6	-1.212	2.180

	C1	C2	Br3	Br4	H5	H6
C1		1.3300	1.8845	2.8754	1.0812	2.0960
C2	1.3300		2.8754	1.8845	2.0960	1.0812
Br3	1.8845	2.8754		3.5465	2.5200	3.8663
Br4	2.8754	1.8845	3.5465		3.8663	2.5200
H5	1.0812	2.0960	2.5200	3.8663		2.4243
H6	2.0960	1.0812	3.8663	2.5200	2.4243

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Br4	126.021	C1	C2	H6	120.400
C2	C1	Br3	126.021	C2	C1	H5	120.400
Br3	C1	H5	113.579	Br4	C2	H6	113.579

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

using model chemistry: B2PLYP/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	0.026
4	Br	0.026
5	H	0.167
6	H	0.167

	x	y	z	Total
	0.000	0.000	1.684	1.684
CHELPG
AIM
ESP

<r²>	291.496
(<r²>)^1/2	17.073