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	hartrees
Energy at 0K	-1058.204623
Energy at 298.15K
HF Energy	-1058.204623
Nuclear repulsion energy	199.374098

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'	1240	1240	264.90	0.71	0.50	0.67
2	A'	619	619	14.45	14.76	0.08	0.14
3	A'	458	458	1.47	2.24	0.67	0.81
4	A'	281	281	0.05	5.16	0.63	0.77
5	A"	925	925	318.21	2.06	0.75	0.86
6	A"	385	385	0.38	2.77	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.162	0.446	0.000
F2	-0.718	1.432	0.000
Cl3	0.162	-0.458	1.474
Cl4	0.162	-0.458	-1.474

	C1	F2	Cl3	Cl4
C1		1.3213	1.7290	1.7290
F2	1.3213		2.5530	2.5530
Cl3	1.7290	2.5530		2.9474
Cl4	1.7290	2.5530	2.9474

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
F2	C1	Cl3	112.962		F2	C1	Cl4	112.962
Cl3	C1	Cl4	116.934

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

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

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	0.101
2	F	-0.123
3	Cl	0.011
4	Cl	0.011

	x	y	z	Total
	0.101	-0.289	0.000	0.306
CHELPG
AIM
ESP

	x	y	z
x	2.548	-0.327	0.000
y	-0.327	3.839	0.000
z	0.000	0.000	6.450

<r²>	128.137
(<r²>)^1/2	11.320

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

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

States and conformations

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