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	hartrees
Energy at 0K	-5746.622666
Energy at 298.15K
HF Energy	-5746.622666
Nuclear repulsion energy	733.990139

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'	1132	1082	154.22	5.49	0.31	0.48
2	A'	823	787	203.85	6.78	0.61	0.76
3	A'	475	454	0.74	12.33	0.02	0.03
4	A'	351	336	0.02	2.88	0.35	0.52
5	A'	274	262	0.31	6.40	0.12	0.21
6	A'	164	157	0.05	1.90	0.56	0.72
7	A"	777	743	216.46	8.92	0.75	0.86
8	A"	319	305	0.01	2.19	0.75	0.86
9	A"	200	191	0.04	1.67	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	-0.131	0.507	0.000
F2	-1.248	1.238	0.000
Cl3	1.248	1.600	0.000
Br4	-0.131	-0.591	1.595
Br5	-0.131	-0.591	-1.595

	C1	F2	Cl3	Br4	Br5
C1		1.3347	1.7605	1.9365	1.9365
F2	1.3347		2.5230	2.6714	2.6714
Cl3	1.7605	2.5230		3.0416	3.0416
Br4	1.9365	2.6714	3.0416		3.1897
Br5	1.9365	2.6714	3.0416	3.1897

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	C1	Cl3	108.419	F2	C1	Br4	108.090
F2	C1	Br5	108.090	Cl3	C1	Br4	110.626
Cl3	C1	Br5	110.626	Br4	C1	Br5	110.885

All results from a given calculation for CBr₂ClF (dibromochlorofluoromethane)

using model chemistry: M06-2X/aug-cc-pVTZ

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	0.200
2	F	-0.254
3	Cl	-0.004
4	Br	0.029
5	Br	0.029

	x	y	z	Total
	0.373	-0.348	0.000	0.510
CHELPG
AIM
ESP

	x	y	z
x	9.135	1.133	0.000
y	1.133	10.451	0.000
z	0.000	0.000	12.174

<r²>	340.038
(<r²>)^1/2	18.440

All results from a given calculation for CBr2ClF (dibromochlorofluoromethane)

using model chemistry: M06-2X/aug-cc-pVTZ

States and conformations

All results from a given calculation for CBr₂ClF (dibromochlorofluoromethane)