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	hartrees
Energy at 0K	-10366.832856
Energy at 298.15K
HF Energy	-10365.336951
Nuclear repulsion energy	1470.670607

Atom	y (Å)	z (Å)
C1	0.000	0.673
C2	0.000	-0.673
Br3	1.596	1.697
Br4	-1.596	1.697
Br5	-1.596	-1.697
Br6	1.596	-1.697

	C1	C2	Br3	Br4	Br5	Br6
C1		1.3452	1.8963	1.8963	2.8568	2.8568
C2	1.3452		2.8568	2.8568	1.8963	1.8963
Br3	1.8963	2.8568		3.1914	4.6588	3.3941
Br4	1.8963	2.8568	3.1914		3.3941	4.6588
Br5	2.8568	1.8963	4.6588	3.3941		3.1914
Br6	2.8568	1.8963	3.3941	4.6588	3.1914

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Br5	122.701	C1	C2	Br6	122.701
C2	C1	Br3	122.701	C2	C1	Br4	122.701
Br3	C1	Br4	114.598	Br5	C2	Br6	114.598

All results from a given calculation for C₂Br₄ (tetrabromoethene)

using model chemistry: CCSD(T)=FULL/TZVP

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(T)=FULL/TZVP

States and conformations

All results from a given calculation for C₂Br₄ (tetrabromoethene)