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	hartrees
Energy at 0K	-2910.107793
Energy at 298.15K
HF Energy	-2908.803524
Nuclear repulsion energy	370.046602

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.797
Br2	0.000	0.000	1.107
F3	0.000	1.242	-1.258
F4	1.075	-0.621	-1.258
F5	-1.075	-0.621	-1.258

	C1	Br2	F3	F4	F5
C1		1.9047	1.3244	1.3244	1.3244
Br2	1.9047		2.6716	2.6716	2.6716
F3	1.3244	2.6716		2.1506	2.1506
F4	1.3244	2.6716	2.1506		2.1506
F5	1.3244	2.6716	2.1506	2.1506

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	F3	110.359	Br2	C1	F4	110.359
Br2	C1	F5	110.359	F3	C1	F4	108.569
F3	C1	F5	108.569	F4	C1	F5	108.569

All results from a given calculation for CF₃Br (Bromotrifluoromethane)

using model chemistry: MP2/aug-cc-pVQZ

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 CF3Br (Bromotrifluoromethane)

using model chemistry: MP2/aug-cc-pVQZ

States and conformations

All results from a given calculation for CF₃Br (Bromotrifluoromethane)