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	hartrees
Energy at 0K	-1058.315735
Energy at 298.15K
HF Energy	-1058.315735
Nuclear repulsion energy	197.237039

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'	1113	1113	271.12	1.17	0.50	0.66
2	A'	568	568	20.31	18.25	0.09	0.17
3	A'	456	456	0.62	4.45	0.44	0.61
4	A'	277	277	0.11	7.46	0.60	0.75
5	A"	817	817	373.79	3.35	0.75	0.86
6	A"	369	369	0.72	4.32	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.166	0.454	0.000
F2	-0.736	1.437	0.000
Cl3	0.166	-0.461	1.491
Cl4	0.166	-0.461	-1.491

	C1	F2	Cl3	Cl4
C1		1.3338	1.7497	1.7497
F2	1.3338		2.5767	2.5767
Cl3	1.7497	2.5767		2.9829
Cl4	1.7497	2.5767	2.9829

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
F2	C1	Cl3	112.670		F2	C1	Cl4	112.670
Cl3	C1	Cl4	116.949

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

using model chemistry: B97D3/6-311G*

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	0.080
2	F	-0.129
3	Cl	0.025
4	Cl	0.025

	x	y	z	Total
	0.015	-0.257	0.000	0.258
CHELPG
AIM
ESP

	x	y	z
x	2.573	-0.386	0.000
y	-0.386	4.165	0.000
z	0.000	0.000	7.366

<r²>	130.797
(<r²>)^1/2	11.437

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

using model chemistry: B97D3/6-311G*

States and conformations

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