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	hartrees
Energy at 0K	-5224.961788
Energy at 298.15K	-5224.969443
HF Energy	-5224.961788
Nuclear repulsion energy	430.360323

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3233	3233	0.02
2	A₁	1653	1653	32.63
3	A₁	1177	1177	1.23
4	A₁	608	608	7.22
5	A₁	108	108	0.04
6	A₂	914	914	0.00
7	A₂	390	390	0.00
8	B₁	692	692	58.55
9	B₂	3210	3210	18.58
10	B₂	1282	1282	42.32
11	B₂	778	778	62.41
12	B₂	485	485	2.04

Atom	y (Å)	z (Å)
C1	0.661	1.239
C2	-0.661	1.239
Br3	1.750	-0.275
Br4	-1.750	-0.275
H5	1.210	2.171
H6	-1.210	2.171

	C1	C2	Br3	Br4	H5	H6
C1		1.3220	1.8652	2.8473	1.0814	2.0899
C2	1.3220		2.8473	1.8652	2.0899	1.0814
Br3	1.8652	2.8473		3.5008	2.5051	3.8398
Br4	2.8473	1.8652	3.5008		3.8398	2.5051
H5	1.0814	2.0899	2.5051	3.8398		2.4192
H6	2.0899	1.0814	3.8398	2.5051	2.4192

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Br4	125.736	C1	C2	H6	120.481
C2	C1	Br3	125.736	C2	C1	H5	120.481
Br3	C1	H5	113.783	Br4	C2	H6	113.783

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

using model chemistry: PBE1PBE/6-311+G(3df,2p)

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	-0.085
2	C	-0.085
3	Br	-0.050
4	Br	-0.050
5	H	0.135
6	H	0.135

	x	y	z	Total
	0.000	0.000	1.658	1.658
CHELPG
AIM
ESP

<r²>	285.267
(<r²>)^1/2	16.890