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	hartrees
Energy at 0K	-10371.226263
Energy at 298.15K
HF Energy	-10370.762849
Nuclear repulsion energy	1480.867282

Atom	y (Å)	z (Å)
C1	0.000	0.671
C2	0.000	-0.671
Br3	1.583	1.688
Br4	-1.583	1.688
Br5	-1.583	-1.688
Br6	1.583	-1.688

	C1	C2	Br3	Br4	Br5	Br6
C1		1.3413	1.8813	1.8813	2.8401	2.8401
C2	1.3413		2.8401	2.8401	1.8813	1.8813
Br3	1.8813	2.8401		3.1653	4.6273	3.3753
Br4	1.8813	2.8401	3.1653		3.3753	4.6273
Br5	2.8401	1.8813	4.6273	3.3753		3.1653
Br6	2.8401	1.8813	3.3753	4.6273	3.1653

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Br5	122.725	C1	C2	Br6	122.725
C2	C1	Br3	122.725	C2	C1	Br4	122.725
Br3	C1	Br4	114.550	Br5	C2	Br6	114.550

Number	Element	Mulliken
1	C	-0.034
2	C	-0.034
3	Br	0.017
4	Br	0.017
5	Br	0.017
6	Br	0.017

All results from a given calculation for C₂Br₄ (tetrabromoethene)

using model chemistry: B2PLYP/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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<r²>	806.342
(<r²>)^1/2	28.396

All results from a given calculation for C2Br4 (tetrabromoethene)

using model chemistry: B2PLYP/Def2TZVPP

States and conformations

All results from a given calculation for C₂Br₄ (tetrabromoethene)