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	hartrees
Energy at 0K	-5740.921019
Energy at 298.15K
HF Energy	-5740.921019
Nuclear repulsion energy	741.456626

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A'	1147	1098	140.86	1.74	0.46	0.63
2	A'	810	775	214.45	3.32	0.68	0.81
3	A'	475	455	0.96	8.95	0.02	0.04
4	A'	352	337	0.02	2.39	0.45	0.62
5	A'	275	263	0.12	5.34	0.16	0.27
6	A'	167	160	0.03	1.90	0.62	0.77
7	A"	780	747	214.69	3.31	0.75	0.86
8	A"	322	308	0.00	1.87	0.75	0.86
9	A"	198	189	0.00	1.88	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	-0.134	0.500	0.000
F2	-1.240	1.232	0.000
Cl3	1.257	1.587	0.000
Br4	-0.134	-0.587	1.571
Br5	-0.134	-0.587	-1.571

	C1	F2	Cl3	Br4	Br5
C1		1.3262	1.7658	1.9097	1.9097
F2	1.3262		2.5224	2.6450	2.6450
Cl3	1.7658	2.5224		3.0211	3.0211
Br4	1.9097	2.6450	3.0211		3.1411
Br5	1.9097	2.6450	3.0211	3.1411

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	C1	Cl3	108.499	F2	C1	Br4	108.299
F2	C1	Br5	108.299	Cl3	C1	Br4	110.502
Cl3	C1	Br5	110.502	Br4	C1	Br5	110.657

All results from a given calculation for CBr₂ClF (dibromochlorofluoromethane)

using model chemistry: PBE1PBE/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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Number	Element	Mulliken
1	C	-0.096
2	F	-0.051
3	Cl	-0.041
4	Br	0.094
5	Br	0.094

	x	y	z	Total
	0.057	-0.259	0.000	0.265
CHELPG
AIM
ESP

	x	y	z
x	7.872	1.206	0.000
y	1.206	9.081	0.000
z	0.000	0.000	10.668

<r²>	332.867
(<r²>)^1/2	18.245

All results from a given calculation for CBr2ClF (dibromochlorofluoromethane)

using model chemistry: PBE1PBE/6-31G(2df,p)

States and conformations

All results from a given calculation for CBr₂ClF (dibromochlorofluoromethane)