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	hartrees
Energy at 0K	-71.430805
Energy at 298.15K
HF Energy	-71.430805
Nuclear repulsion energy	85.762169

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'	984	953	197.20	1.69	0.74	0.85
2	A'	729	706	265.89	5.31	0.75	0.85
3	A'	416	403	2.26	12.83	0.04	0.09
4	A'	317	307	0.03	7.23	0.68	0.81
5	A'	250	243	0.25	15.95	0.30	0.46
6	A'	152	147	0.14	7.80	0.69	0.82
7	A"	704	682	296.92	5.64	0.75	0.86
8	A"	286	277	0.00	6.04	0.75	0.86
9	A"	182	176	0.05	7.74	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	-0.132	0.503	0.000
F2	-1.322	1.261	0.000
Cl3	1.290	1.704	0.000
Br4	-0.132	-0.619	1.662
Br5	-0.132	-0.619	-1.662

	C1	F2	Cl3	Br4	Br5
C1		1.4104	1.8613	2.0053	2.0053
F2	1.4104		2.6487	2.7769	2.7769
Cl3	1.8613	2.6487		3.1907	3.1907
Br4	2.0053	2.7769	3.1907		3.3242
Br5	2.0053	2.7769	3.1907	3.3242

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	C1	Cl3	107.308	F2	C1	Br4	107.496
F2	C1	Br5	107.496	Cl3	C1	Br4	111.163
Cl3	C1	Br5	111.163	Br4	C1	Br5	111.962

All results from a given calculation for CBr₂ClF (dibromochlorofluoromethane)

using model chemistry: B3LYP/CEP-31G

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	-0.429
2	F	-0.100
3	Cl	0.105
4	Br	0.212
5	Br	0.212

	x	y	z	Total
	0.642	-1.057	0.000	1.237
CHELPG
AIM
ESP

	x	y	z
x	4.818	1.777	0.000
y	1.777	7.100	0.000
z	0.000	0.000	9.405

<r²>	133.455
(<r²>)^1/2	11.552

All results from a given calculation for CBr2ClF (dibromochlorofluoromethane)

using model chemistry: B3LYP/CEP-31G

States and conformations

All results from a given calculation for CBr₂ClF (dibromochlorofluoromethane)