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	hartrees
Energy at 0K	-5225.003827
Energy at 298.15K	-5225.011475
HF Energy	-5225.003827
Nuclear repulsion energy	430.144155

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3237	3237	0.01
2	A₁	1653	1653	33.45
3	A₁	1177	1177	1.34
4	A₁	605	605	7.64
5	A₁	107	107	0.04
6	A₂	916	916	0.00
7	A₂	391	391	0.00
8	B₁	694	694	61.05
9	B₂	3215	3215	16.95
10	B₂	1285	1285	41.62
11	B₂	776	776	62.81
12	B₂	485	485	2.18

Atom	y (Å)	z (Å)
C1	0.661	1.241
C2	-0.661	1.241
Br3	1.751	-0.275
Br4	-1.751	-0.275
H5	1.209	2.173
H6	-1.209	2.173

	C1	C2	Br3	Br4	H5	H6
C1		1.3218	1.8670	2.8486	1.0812	2.0893
C2	1.3218		2.8486	1.8670	2.0893	1.0812
Br3	1.8670	2.8486		3.5019	2.5069	3.8409
Br4	2.8486	1.8670	3.5019		3.8409	2.5069
H5	1.0812	2.0893	2.5069	3.8409		2.4180
H6	2.0893	1.0812	3.8409	2.5069	2.4180

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Br4	125.723	C1	C2	H6	120.460
C2	C1	Br3	125.723	C2	C1	H5	120.460
Br3	C1	H5	113.817	Br4	C2	H6	113.817

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

using model chemistry: HSEh1PBE/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	-0.110
2	C	-0.110
3	Br	-0.015
4	Br	-0.015
5	H	0.125
6	H	0.125

	x	y	z	Total
	0.000	0.000	1.663	1.663
CHELPG
AIM
ESP

<r²>	285.412
(<r²>)^1/2	16.894