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	hartrees
Energy at 0K	-5746.563434
Energy at 298.15K
HF Energy	-5746.563434
Nuclear repulsion energy	730.913686

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'	1120	1069	209.02	1.81	0.57	0.72
2	A'	813	776	240.08	5.61	0.68	0.81
3	A'	472	451	1.18	6.71	0.03	0.06
4	A'	352	336	0.05	3.58	0.59	0.75
5	A'	272	259	0.26	7.80	0.23	0.38
6	A'	163	156	0.07	3.45	0.66	0.79
7	A"	777	742	250.67	8.11	0.75	0.86
8	A"	318	303	0.03	3.53	0.75	0.86
9	A"	198	190	0.03	3.46	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	-0.136	0.512	0.000
F2	-1.245	1.248	0.000
Cl3	1.267	1.606	0.000
Br4	-0.136	-0.594	1.599
Br5	-0.136	-0.594	-1.599

	C1	F2	Cl3	Br4	Br5
C1		1.3306	1.7791	1.9444	1.9444
F2	1.3306		2.5371	2.6793	2.6793
Cl3	1.7791	2.5371		3.0604	3.0604
Br4	1.9444	2.6793	3.0604		3.1983
Br5	1.9444	2.6793	3.0604	3.1983

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	C1	Cl3	108.483	F2	C1	Br4	108.338
F2	C1	Br5	108.338	Cl3	C1	Br4	110.472
Cl3	C1	Br5	110.472	Br4	C1	Br5	110.658

All results from a given calculation for CBr₂ClF (dibromochlorofluoromethane)

using model chemistry: wB97X-D/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	0.070
2	F	-0.093
3	Cl	0.012
4	Br	0.006
5	Br	0.006

	x	y	z	Total
	0.306	-0.470	0.000	0.560
CHELPG
AIM
ESP

<r²>	342.425
(<r²>)^1/2	18.505

All results from a given calculation for CBr2ClF (dibromochlorofluoromethane)

using model chemistry: wB97X-D/TZVP

States and conformations

All results from a given calculation for CBr₂ClF (dibromochlorofluoromethane)