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	hartrees
Energy at 0K	-10366.988798
Energy at 298.15K
HF Energy	-10365.547363
Nuclear repulsion energy	1490.241051

Atom	y (Å)	z (Å)
C1	0.000	0.666
C2	0.000	-0.666
Br3	1.573	1.677
Br4	-1.573	1.677
Br5	-1.573	-1.677
Br6	1.573	-1.677

	C1	C2	Br3	Br4	Br5	Br6
C1		1.3322	1.8696	1.8696	2.8221	2.8221
C2	1.3322		2.8221	2.8221	1.8696	1.8696
Br3	1.8696	2.8221		3.1452	4.5983	3.3544
Br4	1.8696	2.8221	3.1452		3.3544	4.5983
Br5	2.8221	1.8696	4.5983	3.3544		3.1452
Br6	2.8221	1.8696	3.3544	4.5983	3.1452

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Br5	122.739	C1	C2	Br6	122.739
C2	C1	Br3	122.739	C2	C1	Br4	122.739
Br3	C1	Br4	114.521	Br5	C2	Br6	114.521

All results from a given calculation for C₂Br₄ (tetrabromoethene)

using model chemistry: CCSD=FULL/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: CCSD=FULL/cc-pVTZ

States and conformations

All results from a given calculation for C₂Br₄ (tetrabromoethene)