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	hartrees
Energy at 0K	-1058.143951
Energy at 298.15K
HF Energy	-1058.143951
Nuclear repulsion energy	189.293687

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'	1070	1070	224.95	1.82	0.51	0.68
2	A'	532	532	24.92	21.78	0.10	0.17
3	A'	408	408	3.48	11.19	0.28	0.43
4	A'	246	246	0.02	10.01	0.57	0.73
5	A"	739	739	344.39	5.11	0.75	0.86
6	A"	328	328	0.76	5.60	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.179	0.498	0.000
F2	-0.794	1.472	0.000
Cl3	0.179	-0.477	1.554
Cl4	0.179	-0.477	-1.554

	C1	F2	Cl3	Cl4
C1		1.3767	1.8349	1.8349
F2	1.3767		2.6762	2.6762
Cl3	1.8349	2.6762		3.1084
Cl4	1.8349	2.6762	3.1084

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
F2	C1	Cl3	112.087		F2	C1	Cl4	112.087
Cl3	C1	Cl4	115.775

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

using model chemistry: B97D3/6-31G

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	-0.010
2	F	-0.215
3	Cl	0.112
4	Cl	0.112

	x	y	z	Total
	0.048	-0.169	0.000	0.175
CHELPG
AIM
ESP

	x	y	z
x	2.186	-0.558	0.000
y	-0.558	3.939	0.000
z	0.000	0.000	7.464

<r²>	140.100
(<r²>)^1/2	11.836

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

using model chemistry: B97D3/6-31G

States and conformations

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