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	hartrees
Energy at 0K	-5745.320019
Energy at 298.15K
HF Energy	-5745.320019
Nuclear repulsion energy	723.210468

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'	1059	1048	198.20	0.50	0.74	0.85
2	A'	738	730	293.20	1.86	0.63	0.77
3	A'	448	443	1.64	7.79	0.05	0.09
4	A'	330	327	1.16	4.12	0.58	0.74
5	A'	257	254	0.68	9.69	0.23	0.38
6	A'	153	152	0.11	4.38	0.63	0.78
7	A"	689	682	291.00	2.47	0.75	0.86
8	A"	294	291	2.05	3.75	0.75	0.86
9	A"	189	187	0.29	4.31	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	-0.134	0.521	0.000
F2	-1.261	1.253	0.000
Cl3	1.265	1.628	0.000
Br4	-0.134	-0.601	1.619
Br5	-0.134	-0.601	-1.619

	C1	F2	Cl3	Br4	Br5
C1		1.3438	1.7842	1.9697	1.9697
F2	1.3438		2.5533	2.7070	2.7070
Cl3	1.7842	2.5533		3.0900	3.0900
Br4	1.9697	2.7070	3.0900		3.2380
Br5	1.9697	2.7070	3.0900	3.2380

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	C1	Cl3	108.609	F2	C1	Br4	108.078
F2	C1	Br5	108.078	Cl3	C1	Br4	110.705
Cl3	C1	Br5	110.705	Br4	C1	Br5	110.568

All results from a given calculation for CBr₂ClF (dibromochlorofluoromethane)

using model chemistry: PBEPBE/6-311G*

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	-0.141
2	F	-0.105
3	Cl	0.064
4	Br	0.091
5	Br	0.091

	x	y	z	Total
	0.226	-0.320	0.000	0.392
CHELPG
AIM
ESP

	x	y	z
x	6.410	1.553	0.000
y	1.553	8.115	0.000
z	0.000	0.000	10.144

<r²>	349.267
(<r²>)^1/2	18.689

All results from a given calculation for CBr2ClF (dibromochlorofluoromethane)

using model chemistry: PBEPBE/6-311G*

States and conformations

All results from a given calculation for CBr₂ClF (dibromochlorofluoromethane)