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	hartrees
Energy at 0K	-10365.991102
Energy at 298.15K
HF Energy	-10365.195660
Nuclear repulsion energy	1491.863781

Atom	y (Å)	z (Å)
C1	0.000	0.662
C2	0.000	-0.662
Br3	1.568	1.679
Br4	-1.568	1.679
Br5	-1.568	-1.679
Br6	1.568	-1.679

	C1	C2	Br3	Br4	Br5	Br6
C1		1.3245	1.8685	1.8685	2.8175	2.8175
C2	1.3245		2.8175	2.8175	1.8685	1.8685
Br3	1.8685	2.8175		3.1359	4.5940	3.3573
Br4	1.8685	2.8175	3.1359		3.3573	4.5940
Br5	2.8175	1.8685	4.5940	3.3573		3.1359
Br6	2.8175	1.8685	3.3573	4.5940	3.1359

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Br5	122.952	C1	C2	Br6	122.952
C2	C1	Br3	122.952	C2	C1	Br4	122.952
Br3	C1	Br4	114.095	Br5	C2	Br6	114.095

All results from a given calculation for C₂Br₄ (tetrabromoethene)

using model chemistry: CISD/6-311+G(3df,2p)

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: CISD/6-311+G(3df,2p)

States and conformations

All results from a given calculation for C₂Br₄ (tetrabromoethene)