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	hartrees
Energy at 0K	-5283.944883
Energy at 298.15K
HF Energy	-5282.757201
Nuclear repulsion energy	483.188020

Atom	x (Å)	y (Å)	z (Å)
C1	-0.103	0.783	0.000
H2	-1.005	1.378	0.000
F3	0.977	1.591	0.000
Br4	-0.103	-0.291	1.599
Br5	-0.103	-0.291	-1.599

	C1	H2	F3	Br4	Br5
C1		1.0807	1.3484	1.9266	1.9266
H2	1.0807		1.9934	2.4816	2.4816
F3	1.3484	1.9934		2.6955	2.6955
Br4	1.9266	2.4816	2.6955		3.1981
Br5	1.9266	2.4816	2.6955	3.1981

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	F3	109.803	H2	C1	Br4	107.879
H2	C1	Br5	107.879	F3	C1	Br4	109.518
F3	C1	Br5	109.518	Br4	C1	Br5	112.199

All results from a given calculation for CHBr₂F (dibromofluoromethane)

using model chemistry: QCISD(T)=FULL/Def2TZVPP

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 CHBr2F (dibromofluoromethane)

using model chemistry: QCISD(T)=FULL/Def2TZVPP

States and conformations

All results from a given calculation for CHBr₂F (dibromofluoromethane)