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	hartrees
Energy at 0K	-5220.794715
Energy at 298.15K	-5220.802298
HF Energy	-5220.794715
Nuclear repulsion energy	428.144095

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3244	3108	1.31
2	A₁	1649	1579	33.12
3	A₁	1183	1134	2.07
4	A₁	575	551	10.32
5	A₁	113	108	0.03
6	A₂	898	861	0.00
7	A₂	380	365	0.00
8	B₁	696	667	58.49
9	B₂	3223	3087	11.82
10	B₂	1289	1235	44.22
11	B₂	753	721	62.44
12	B₂	468	448	4.55

Atom	y (Å)	z (Å)
C1	0.665	1.268
C2	-0.665	1.268
Br3	1.749	-0.280
Br4	-1.749	-0.280
H5	1.226	2.195
H6	-1.226	2.195

	C1	C2	Br3	Br4	H5	H6
C1		1.3292	1.8896	2.8669	1.0838	2.1055
C2	1.3292		2.8669	1.8896	2.1055	1.0838
Br3	1.8896	2.8669		3.4971	2.5299	3.8694
Br4	2.8669	1.8896	3.4971		3.8694	2.5299
H5	1.0838	2.1055	2.5299	3.8694		2.4512
H6	2.1055	1.0838	3.8694	2.5299	2.4512

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Br4	125.003	C1	C2	H6	121.171
C2	C1	Br3	125.003	C2	C1	H5	121.171
Br3	C1	H5	113.827	Br4	C2	H6	113.827

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

using model chemistry: B3LYPultrafine/6-31G*

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	-0.135
2	C	-0.135
3	Br	-0.061
4	Br	-0.061
5	H	0.196
6	H	0.196

	x	y	z	Total
	0.000	0.000	1.713	1.713
CHELPG
AIM
ESP

<r²>	285.712
(<r²>)^1/2	16.903