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	hartrees
Energy at 0K	-5219.922124
Energy at 298.15K	-5219.929667
HF Energy	-5219.922124
Nuclear repulsion energy	426.095546

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3167	3130	0.19
2	A₁	1594	1576	39.50
3	A₁	1150	1137	0.69
4	A₁	571	564	7.97
5	A₁	97	96	0.02
6	A₂	857	847	0.00
7	A₂	395	391	0.00
8	B₁	669	662	73.01
9	B₂	3146	3110	17.32
10	B₂	1243	1228	41.58
11	B₂	727	719	82.27
12	B₂	469	463	2.45

Atom	y (Å)	z (Å)
C1	0.670	1.246
C2	-0.670	1.246
Br3	1.771	-0.276
Br4	-1.771	-0.276
H5	1.224	2.187
H6	-1.224	2.187

	C1	C2	Br3	Br4	H5	H6
C1		1.3400	1.8783	2.8765	1.0922	2.1150
C2	1.3400		2.8765	1.8783	2.1150	1.0922
Br3	1.8783	2.8765		3.5419	2.5230	3.8777
Br4	2.8765	1.8783	3.5419		3.8777	2.5230
H5	1.0922	2.1150	2.5230	3.8777		2.4481
H6	2.1150	1.0922	3.8777	2.5230	2.4481

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Br4	125.884	C1	C2	H6	120.486
C2	C1	Br3	125.884	C2	C1	H5	120.486
Br3	C1	H5	113.630	Br4	C2	H6	113.630

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

using model chemistry: PBEPBEultrafine/6-31+G**

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	-0.111
2	C	-0.111
3	Br	-0.078
4	Br	-0.078
5	H	0.189
6	H	0.189

	x	y	z	Total
	0.000	0.000	1.601	1.601
CHELPG
AIM
ESP

<r²>	291.131
(<r²>)^1/2	17.063