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	hartrees
Energy at 0K	-5168.597779
Energy at 298.15K	-5168.605377
HF Energy	-5168.597779
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3487	3487	2.98
2	A₁	1809	1809	15.97
3	A₁	1305	1305	0.00
4	A₁	683	683	9.22
5	A₁	108	108	0.11
6	A₂	1015	1015	0.00
7	A₂	407	407	0.00
8	B₁	743	743	20.18
9	B₂	3462	3462	45.52
10	B₂	1453	1453	54.66
11	B₂	878	878	30.14
12	B₂	528	528	3.02

Atom	y (Å)	z (Å)
C1	0.670	1.242
C2	-0.670	1.242
Br3	1.776	-0.276
Br4	-1.776	-0.276
H5	1.201	2.204
H6	-1.201	2.204

	C1	C2	Br3	Br4	H5	H6
C1		1.3392	1.8786	2.8784	1.0985	2.1033
C2	1.3392		2.8784	1.8786	2.1033	1.0985
Br3	1.8786	2.8784		3.5514	2.5454	3.8744
Br4	2.8784	1.8786	3.5514		3.8744	2.5454
H5	1.0985	2.1033	2.5454	3.8744		2.4023
H6	2.1033	1.0985	3.8744	2.5454	2.4023

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Br4	126.073	C1	C2	H6	118.942
C2	C1	Br3	126.073	C2	C1	H5	118.942
Br3	C1	H5	114.985	Br4	C2	H6	114.985

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

using model chemistry: wB97X-D/STO-3G

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	-0.151
2	C	-0.151
3	Br	0.049
4	Br	0.049
5	H	0.102
6	H	0.102

	x	y	z	Total
	0.000	0.000	1.496	1.496
CHELPG
AIM
ESP

<r²>	289.662
(<r²>)^1/2	17.019