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	hartrees
Energy at 0K	-5737.998994
Energy at 298.15K
HF Energy	-5736.897999
Nuclear repulsion energy	745.660849

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1160	1092	126.44
2	A'	860	810	174.80
3	A'	483	455	0.49
4	A'	363	342	0.20
5	A'	286	269	0.10
6	A'	176	166	0.02
7	A"	835	786	169.99
8	A"	333	314	0.47
9	A"	207	195	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	-0.132	0.491	0.000
F2	-1.245	1.222	0.000
Cl3	1.247	1.586	0.000
Br4	-0.132	-0.584	1.559
Br5	-0.132	-0.584	-1.559

	C1	F2	Cl3	Br4	Br5
C1		1.3322	1.7608	1.8933	1.8933
F2	1.3322		2.5185	2.6329	2.6329
Cl3	1.7608	2.5185		3.0066	3.0066
Br4	1.8933	2.6329	3.0066		3.1173
Br5	1.8933	2.6329	3.0066	3.1173

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	C1	Cl3	108.228	F2	C1	Br4	108.168
F2	C1	Br5	108.168	Cl3	C1	Br4	110.676
Cl3	C1	Br5	110.676	Br4	C1	Br5	110.819

All results from a given calculation for CBr₂ClF (dibromochlorofluoromethane)

using model chemistry: CCSD=FULL/6-31G(2df,p)

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: CCSD=FULL/6-31G(2df,p)

States and conformations

All results from a given calculation for CBr₂ClF (dibromochlorofluoromethane)