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	hartrees
Energy at 0K	-5225.561667
Energy at 298.15K	-5225.569272
HF Energy	-5225.561667
Nuclear repulsion energy	428.620690

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3215	3215	0.32
2	A₁	1622	1622	35.17
3	A₁	1170	1170	1.60
4	A₁	593	593	8.38
5	A₁	103	103	0.05
6	A₂	896	896	0.00
7	A₂	382	382	0.00
8	B₁	688	688	59.39
9	B₂	3193	3193	13.87
10	B₂	1282	1282	47.15
11	B₂	763	763	63.76
12	B₂	477	477	2.75

Atom	y (Å)	z (Å)
C1	0.663	1.249
C2	-0.663	1.249
Br3	1.756	-0.276
Br4	-1.756	-0.276
H5	1.217	2.178
H6	-1.217	2.178

	C1	C2	Br3	Br4	H5	H6
C1		1.3260	1.8762	2.8595	1.0812	2.0965
C2	1.3260		2.8595	1.8762	2.0965	1.0812
Br3	1.8762	2.8595		3.5116	2.5124	3.8544
Br4	2.8595	1.8762	3.5116		3.8544	2.5124
H5	1.0812	2.0965	2.5124	3.8544		2.4332
H6	2.0965	1.0812	3.8544	2.5124	2.4332

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Br4	125.623	C1	C2	H6	120.799
C2	C1	Br3	125.623	C2	C1	H5	120.799
Br3	C1	H5	113.577	Br4	C2	H6	113.577

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

using model chemistry: TPSSh/Def2TZVPP

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	-0.066
2	C	-0.066
3	Br	-0.039
4	Br	-0.039
5	H	0.105
6	H	0.105

	x	y	z	Total
	0.000	0.000	1.694	1.694
CHELPG
AIM
ESP

<r²>	286.953
(<r²>)^1/2	16.940