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	hartrees
Energy at 0K	-10366.840106
Energy at 298.15K
HF Energy	-10365.548821
Nuclear repulsion energy	1486.738454

Atom	y (Å)	z (Å)
C1	0.000	0.669
C2	0.000	-0.669
Br3	1.577	1.680
Br4	-1.577	1.680
Br5	-1.577	-1.680
Br6	1.577	-1.680

	C1	C2	Br3	Br4	Br5	Br6
C1		1.3377	1.8735	1.8735	2.8294	2.8294
C2	1.3377		2.8294	2.8294	1.8735	1.8735
Br3	1.8735	2.8294		3.1543	4.6089	3.3604
Br4	1.8735	2.8294	3.1543		3.3604	4.6089
Br5	2.8294	1.8735	4.6089	3.3604		3.1543
Br6	2.8294	1.8735	3.3604	4.6089	3.1543

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Br5	122.670	C1	C2	Br6	122.670
C2	C1	Br3	122.670	C2	C1	Br4	122.670
Br3	C1	Br4	114.659	Br5	C2	Br6	114.659

All results from a given calculation for C₂Br₄ (tetrabromoethene)

using model chemistry: QCISD/aug-cc-pVTZ

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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All results from a given calculation for C2Br4 (tetrabromoethene)

using model chemistry: QCISD/aug-cc-pVTZ

States and conformations

All results from a given calculation for C₂Br₄ (tetrabromoethene)