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	hartrees
Energy at 0K	-7742.978857
Energy at 298.15K
HF Energy	-7742.182678
Nuclear repulsion energy	737.280577

Atom	x (Å)	y (Å)
B1	0.000	0.000
Br2	0.000	1.900
Br3	1.645	-0.950
Br4	-1.645	-0.950

	B1	Br2	Br3	Br4
B1		1.8997	1.8997	1.8997
Br2	1.8997		3.2904	3.2904
Br3	1.8997	3.2904		3.2904
Br4	1.8997	3.2904	3.2904

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Br2	B1	Br3	120.000		Br2	B1	Br4	120.000
Br3	B1	Br4	120.000

All results from a given calculation for BBr₃ (Boron tribromide)

using model chemistry: QCISD/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 BBr3 (Boron tribromide)

using model chemistry: QCISD/cc-pVTZ

States and conformations

All results from a given calculation for BBr₃ (Boron tribromide)