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	hartrees
Energy at 0K	-5225.654582
Energy at 298.15K	-5225.662191
HF Energy	-5225.654582
Nuclear repulsion energy	428.557101

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3214	3102	0.09
2	A₁	1620	1564	35.29
3	A₁	1169	1129	1.56
4	A₁	592	571	8.05
5	A₁	103	100	0.04
6	A₂	892	861	0.00
7	A₂	380	367	0.00
8	B₁	686	663	57.29
9	B₂	3191	3080	15.18
10	B₂	1282	1237	48.60
11	B₂	761	734	63.24
12	B₂	475	459	2.81

Atom	y (Å)	z (Å)
C1	0.663	1.250
C2	-0.663	1.250
Br3	1.756	-0.276
Br4	-1.756	-0.276
H5	1.218	2.178
H6	-1.218	2.178

	C1	C2	Br3	Br4	H5	H6
C1		1.3256	1.8773	2.8599	1.0810	2.0969
C2	1.3256		2.8599	1.8773	2.0969	1.0810
Br3	1.8773	2.8599		3.5114	2.5124	3.8554
Br4	2.8599	1.8773	3.5114		3.8554	2.5124
H5	1.0810	2.0969	2.5124	3.8554		2.4353
H6	2.0969	1.0810	3.8554	2.5124	2.4353

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Br4	125.604	C1	C2	H6	120.882
C2	C1	Br3	125.604	C2	C1	H5	120.882
Br3	C1	H5	113.515	Br4	C2	H6	113.515

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

using model chemistry: TPSSh/aug-cc-pVTZ

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	-0.239
2	C	-0.239
3	Br	0.039
4	Br	0.039
5	H	0.200
6	H	0.200

	x	y	z	Total
	0.000	0.000	1.674	1.674
CHELPG
AIM
ESP

<r²>	287.079
(<r²>)^1/2	16.943