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	hartrees
Energy at 0K	-1058.372760
Energy at 298.15K
HF Energy	-1058.372760
Nuclear repulsion energy	197.703155

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'	1151	1111	277.26	1.23	0.45	0.62
2	A'	592	571	17.18	16.81	0.09	0.17
3	A'	462	446	0.73	2.40	0.55	0.71
4	A'	278	269	0.01	5.95	0.60	0.75
5	A"	874	843	334.71	3.27	0.75	0.86
6	A"	378	365	0.01	3.64	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.161	0.446	0.000
F2	-0.716	1.443	0.000
Cl3	0.161	-0.461	1.490
Cl4	0.161	-0.461	-1.490

	C1	F2	Cl3	Cl4
C1		1.3280	1.7441	1.7441
F2	1.3280		2.5715	2.5715
Cl3	1.7441	2.5715		2.9801
Cl4	1.7441	2.5715	2.9801

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
F2	C1	Cl3	112.964		F2	C1	Cl4	112.964
Cl3	C1	Cl4	117.374

All results from a given calculation for CFCl₂ (dichlorofluoromethyl radical)

using model chemistry: B3LYP/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	0.126
2	F	-0.125
3	Cl	-0.001
4	Cl	-0.001

	x	y	z	Total
	0.108	-0.432	0.000	0.445
CHELPG
AIM
ESP

	x	y	z
x	3.219	-0.309	0.000
y	-0.309	4.423	0.000
z	0.000	0.000	7.113

<r²>	130.431
(<r²>)^1/2	11.421

All results from a given calculation for CFCl2 (dichlorofluoromethyl radical)

using model chemistry: B3LYP/TZVP

States and conformations

All results from a given calculation for CFCl₂ (dichlorofluoromethyl radical)