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	hartrees
Energy at 0K	-5742.846694
Energy at 298.15K
HF Energy	-5741.668725
Nuclear repulsion energy	735.212152

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1128	1128	152.89
2	A'	845	845	184.63
3	A'	477	477	0.53
4	A'	353	353	0.05
5	A'	276	276	0.21
6	A'	165	165	0.04
7	A"	799	799	190.62
8	A"	320	320	0.10
9	A"	201	201	0.02

Atom	x (Å)	y (Å)	z (Å)
C1	-0.131	0.507	0.000
F2	-1.252	1.240	0.000
Cl3	1.250	1.598	0.000
Br4	-0.131	-0.591	1.589
Br5	-0.131	-0.591	-1.589

	C1	F2	Cl3	Br4	Br5
C1		1.3392	1.7603	1.9314	1.9314
F2	1.3392		2.5271	2.6710	2.6710
Cl3	1.7603	2.5271		3.0372	3.0372
Br4	1.9314	2.6710	3.0372		3.1784
Br5	1.9314	2.6710	3.0372	3.1784

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	C1	Cl3	108.476	F2	C1	Br4	108.138
F2	C1	Br5	108.138	Cl3	C1	Br4	110.627
Cl3	C1	Br5	110.627	Br4	C1	Br5	110.736

All results from a given calculation for CBr₂ClF (dibromochlorofluoromethane)

using model chemistry: QCISD/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 CBr2ClF (dibromochlorofluoromethane)

using model chemistry: QCISD/Def2TZVPP

States and conformations

All results from a given calculation for CBr₂ClF (dibromochlorofluoromethane)