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	hartrees
Energy at 0K	-5746.618585
Energy at 298.15K
HF Energy	-5746.618585
Nuclear repulsion energy	734.059060

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'	1146	1094	168.59	2.73	0.37	0.54
2	A'	827	790	218.84	5.37	0.61	0.76
3	A'	477	456	0.95	9.35	0.02	0.03
4	A'	352	336	0.00	3.19	0.45	0.62
5	A'	274	262	0.23	6.61	0.20	0.34
6	A'	164	157	0.03	2.54	0.63	0.78
7	A"	780	745	232.65	7.31	0.75	0.86
8	A"	320	305	0.00	2.56	0.75	0.86
9	A"	200	191	0.04	2.48	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	-0.132	0.508	0.000
F2	-1.247	1.238	0.000
Cl3	1.249	1.600	0.000
Br4	-0.132	-0.591	1.595
Br5	-0.132	-0.591	-1.595

	C1	F2	Cl3	Br4	Br5
C1		1.3329	1.7603	1.9370	1.9370
F2	1.3329		2.5223	2.6708	2.6708
Cl3	1.7603	2.5223		3.0415	3.0415
Br4	1.9370	2.6708	3.0415		3.1894
Br5	1.9370	2.6708	3.0415	3.1894

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	C1	Cl3	108.476	F2	C1	Br4	108.110
F2	C1	Br5	108.110	Cl3	C1	Br4	110.607
Cl3	C1	Br5	110.607	Br4	C1	Br5	110.832

All results from a given calculation for CBr₂ClF (dibromochlorofluoromethane)

using model chemistry: M06-2X/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	0.150
2	F	-0.119
3	Cl	-0.017
4	Br	-0.007
5	Br	-0.007

	x	y	z	Total
	0.350	-0.328	0.000	0.480
CHELPG
AIM
ESP

	x	y	z
x	7.305	1.259	0.000
y	1.259	8.796	0.000
z	0.000	0.000	10.676

<r²>	339.907
(<r²>)^1/2	18.437

All results from a given calculation for CBr2ClF (dibromochlorofluoromethane)

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

States and conformations

All results from a given calculation for CBr₂ClF (dibromochlorofluoromethane)