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	hartrees
Energy at 0K	-5749.085989
Energy at 298.15K
HF Energy	-5749.085989
Nuclear repulsion energy	720.220945

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'	1045	1030	215.73	1.09	0.74	0.85
2	A'	718	707	278.19	3.72	0.63	0.78
3	A'	441	434	1.69	7.28	0.05	0.09
4	A'	327	322	1.86	4.21	0.62	0.76
5	A'	251	247	0.84	10.24	0.21	0.34
6	A'	152	150	0.19	4.56	0.62	0.77
7	A"	668	659	292.50	5.28	0.75	0.86
8	A"	290	285	3.53	4.49	0.75	0.86
9	A"	187	184	0.39	4.34	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	-0.137	0.529	0.000
F2	-1.259	1.264	0.000
Cl3	1.277	1.628	0.000
Br4	-0.137	-0.603	1.626
Br5	-0.137	-0.603	-1.626

	C1	F2	Cl3	Br4	Br5
C1		1.3413	1.7908	1.9815	1.9815
F2	1.3413		2.5623	2.7184	2.7184
Cl3	1.7908	2.5623		3.1020	3.1020
Br4	1.9815	2.7184	3.1020		3.2515
Br5	1.9815	2.7184	3.1020	3.2515

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	C1	Cl3	108.943	F2	C1	Br4	108.247
F2	C1	Br5	108.247	Cl3	C1	Br4	110.533
Cl3	C1	Br5	110.533	Br4	C1	Br5	110.267

All results from a given calculation for CBr₂ClF (dibromochlorofluoromethane)

using model chemistry: B97D3/TZVP

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	0.073
2	F	-0.073
3	Cl	0.012
4	Br	-0.006
5	Br	-0.006

	x	y	z	Total
	0.302	-0.237	0.000	0.384
CHELPG
AIM
ESP

	x	y	z
x	6.946	1.378	0.000
y	1.378	8.699	0.000
z	0.000	0.000	10.952

<r²>	351.570
(<r²>)^1/2	18.750

All results from a given calculation for CBr2ClF (dibromochlorofluoromethane)

using model chemistry: B97D3/TZVP

States and conformations

All results from a given calculation for CBr₂ClF (dibromochlorofluoromethane)