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	hartrees
Energy at 0K	-1428.727556
Energy at 298.15K
HF Energy	-1427.854208
Nuclear repulsion energy	511.893410

Atom	x (Å)	y (Å)	z (Å)
C1	-0.131	0.502	0.000
F2	-1.238	1.226	0.000
Cl3	1.242	1.587	0.000
Br4	-0.131	-0.586	1.575
Br5	-0.131	-0.586	-1.575

	C1	F2	Cl3	Br4	Br5
C1		1.3222	1.7509	1.9143	1.9143
F2	1.3222		2.5062	2.6435	2.6435
Cl3	1.7509	2.5062		3.0153	3.0153
Br4	1.9143	2.6435	3.0153		3.1508
Br5	1.9143	2.6435	3.0153	3.1508

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	C1	Cl3	108.472	F2	C1	Br4	108.130
F2	C1	Br5	108.130	Cl3	C1	Br4	110.625
Cl3	C1	Br5	110.625	Br4	C1	Br5	110.761

All results from a given calculation for CBr₂ClF (dibromochlorofluoromethane)

using model chemistry: CID/cc-pVTZ-PP

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 CBr2ClF (dibromochlorofluoromethane)

using model chemistry: CID/cc-pVTZ-PP

States and conformations

All results from a given calculation for CBr₂ClF (dibromochlorofluoromethane)