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	hartrees
Energy at 0K	-1058.198433
Energy at 298.15K
HF Energy	-1058.198433
Nuclear repulsion energy	199.234662

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'	1184	1140	272.95	0.83	0.52	0.68
2	A'	606	584	15.18	15.74	0.09	0.17
3	A'	465	448	0.93	2.55	0.69	0.82
4	A'	288	278	0.01	6.18	0.64	0.78
5	A"	905	872	354.40	2.32	0.75	0.86
6	A"	386	372	0.08	3.50	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.159	0.438	0.000
F2	-0.708	1.436	0.000
Cl3	0.159	-0.457	1.478
Cl4	0.159	-0.457	-1.478

	C1	F2	Cl3	Cl4
C1		1.3228	1.7277	1.7277
F2	1.3228		2.5540	2.5540
Cl3	1.7277	2.5540		2.9553
Cl4	1.7277	2.5540	2.9553

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
F2	C1	Cl3	113.026		F2	C1	Cl4	113.026
Cl3	C1	Cl4	117.574

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

using model chemistry: B3PW91/6-311G**

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	0.082
2	F	-0.142
3	Cl	0.030
4	Cl	0.030

	x	y	z	Total
	0.069	-0.335	0.000	0.342
CHELPG
AIM
ESP

	x	y	z
x	2.503	-0.337	0.000
y	-0.337	3.979	0.000
z	0.000	0.000	6.916

<r²>	128.792
(<r²>)^1/2	11.349

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

using model chemistry: B3PW91/6-311G**

States and conformations

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