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	hartrees
Energy at 0K	-10366.099625
Energy at 298.15K
HF Energy	-10365.215128
Nuclear repulsion energy	1467.270733

Atom	y (Å)	z (Å)
C1	0.000	0.681
C2	0.000	-0.681
Br3	1.597	1.704
Br4	-1.597	1.704
Br5	-1.597	-1.704
Br6	1.597	-1.704

	C1	C2	Br3	Br4	Br5	Br6
C1		1.3621	1.8962	1.8962	2.8702	2.8702
C2	1.3621		2.8702	2.8702	1.8962	1.8962
Br3	1.8962	2.8702		3.1932	4.6704	3.4082
Br4	1.8962	2.8702	3.1932		3.4082	4.6704
Br5	2.8702	1.8962	4.6704	3.4082		3.1932
Br6	2.8702	1.8962	3.4082	4.6704	3.1932

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Br5	122.650	C1	C2	Br6	122.650
C2	C1	Br3	122.650	C2	C1	Br4	122.650
Br3	C1	Br4	114.700	Br5	C2	Br6	114.700

All results from a given calculation for C₂Br₄ (tetrabromoethene)

using model chemistry: QCISD(T)=FULL/cc-pVDZ

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(T)=FULL/cc-pVDZ

States and conformations

All results from a given calculation for C₂Br₄ (tetrabromoethene)