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	hartrees
Energy at 0K	-5225.907538
Energy at 298.15K	-5225.915215
HF Energy	-5225.907538
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3249	3106	0.19
2	A₁	1673	1600	31.06
3	A₁	1204	1151	1.90
4	A₁	604	578	7.57
5	A₁	110	105	0.05
6	A₂	934	893	0.00
7	A₂	394	377	0.00
8	B₁	696	666	61.73
9	B₂	3227	3085	17.16
10	B₂	1308	1251	45.05
11	B₂	778	744	62.05
12	B₂	485	464	2.21

Atom	y (Å)	z (Å)
C1	0.660	1.241
C2	-0.660	1.241
Br3	1.760	-0.275
Br4	-1.760	-0.275
H5	1.204	2.174
H6	-1.204	2.174

	C1	C2	Br3	Br4	H5	H6
C1		1.3197	1.8729	2.8552	1.0795	2.0839
C2	1.3197		2.8552	1.8729	2.0839	1.0795
Br3	1.8729	2.8552		3.5191	2.5108	3.8440
Br4	2.8552	1.8729	3.5191		3.8440	2.5108
H5	1.0795	2.0839	2.5108	3.8440		2.4076
H6	2.0839	1.0795	3.8440	2.5108	2.4076

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Br4	125.956	C1	C2	H6	120.258
C2	C1	Br3	125.956	C2	C1	H5	120.258
Br3	C1	H5	113.786	Br4	C2	H6	113.786

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

using model chemistry: wB97X-D/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	-0.141
2	C	-0.141
3	Br	-0.014
4	Br	-0.014
5	H	0.155
6	H	0.155

	x	y	z	Total
	0.000	0.000	1.720	1.720
CHELPG
AIM
ESP

<r²>	287.460
(<r²>)^1/2	16.955