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	hartrees
Energy at 0K	-102.678635
Energy at 298.15K	-102.686358
HF Energy	-102.678635
Nuclear repulsion energy	73.824853

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3447	3102	6.55
2	A₁	1782	1603	33.32
3	A₁	1312	1180	3.78
4	A₁	561	505	10.29
5	A₁	115	103	0.09
6	A₂	1065	958	0.00
7	A₂	413	372	0.00
8	B₁	788	709	120.24
9	B₂	3422	3080	19.95
10	B₂	1411	1270	77.53
11	B₂	779	701	71.82
12	B₂	481	433	5.73

Atom	y (Å)	z (Å)
C1	0.661	1.269
C2	-0.661	1.269
Br3	1.814	-0.280
Br4	-1.814	-0.280
H5	1.210	2.188
H6	-1.210	2.188

	C1	C2	Br3	Br4	H5	H6
C1		1.3213	1.9311	2.9193	1.0703	2.0839
C2	1.3213		2.9193	1.9311	2.0839	1.0703
Br3	1.9311	2.9193		3.6275	2.5404	3.9028
Br4	2.9193	1.9311	3.6275		3.9028	2.5404
H5	1.0703	2.0839	2.5404	3.9028		2.4197
H6	2.0839	1.0703	3.9028	2.5404	2.4197

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Br4	126.665	C1	C2	H6	120.876
C2	C1	Br3	126.665	C2	C1	H5	120.876
Br3	C1	H5	112.460	Br4	C2	H6	112.460

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

using model chemistry: HF/LANL2DZ

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	-0.300
2	C	-0.300
3	Br	0.035
4	Br	0.035
5	H	0.265
6	H	0.265

	x	y	z	Total
	0.000	0.000	2.499	2.499
CHELPG
AIM
ESP

<r²>	110.471
(<r²>)^1/2	10.511