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	hartrees
Energy at 0K	-5746.469811
Energy at 298.15K
HF Energy	-5746.469811
Nuclear repulsion energy	731.522883

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'	1123	1123	203.04	1.61	0.40	0.57
2	A'	816	816	262.47	3.93	0.65	0.79
3	A'	473	473	1.19	7.45	0.04	0.07
4	A'	352	352	0.07	3.74	0.56	0.72
5	A'	275	275	0.29	8.13	0.24	0.39
6	A'	165	165	0.05	3.47	0.65	0.79
7	A"	780	780	257.61	5.62	0.75	0.86
8	A"	318	318	0.05	3.35	0.75	0.86
9	A"	202	202	0.07	3.57	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	-0.133	0.507	0.000
F2	-1.247	1.237	0.000
Cl3	1.255	1.612	0.000
Br4	-0.133	-0.594	1.600
Br5	-0.133	-0.594	-1.600

	C1	F2	Cl3	Br4	Br5
C1		1.3319	1.7735	1.9422	1.9422
F2	1.3319		2.5301	2.6744	2.6744
Cl3	1.7735	2.5301		3.0578	3.0578
Br4	1.9422	2.6744	3.0578		3.1995
Br5	1.9422	2.6744	3.0578	3.1995

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	C1	Cl3	108.284	F2	C1	Br4	108.092
F2	C1	Br5	108.092	Cl3	C1	Br4	110.677
Cl3	C1	Br5	110.677	Br4	C1	Br5	110.908

All results from a given calculation for CBr₂ClF (dibromochlorofluoromethane)

using model chemistry: wB97X-D/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	-0.082
2	F	-0.144
3	Cl	0.048
4	Br	0.089
5	Br	0.089

	x	y	z	Total
	0.289	-0.512	0.000	0.588
CHELPG
AIM
ESP

	x	y	z
x	6.115	1.422	0.000
y	1.422	7.644	0.000
z	0.000	0.000	9.474

<r²>	342.164
(<r²>)^1/2	18.498

All results from a given calculation for CBr2ClF (dibromochlorofluoromethane)

using model chemistry: wB97X-D/6-311G*

States and conformations

All results from a given calculation for CBr₂ClF (dibromochlorofluoromethane)