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	hartrees
Energy at 0K	-58.568182
Energy at 298.15K
HF Energy	-58.568182
Nuclear repulsion energy	55.789575

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'	1197	1092	272.22	6.46	0.73	0.84
2	A'	636	581	23.51	35.34	0.12	0.22
3	A'	448	409	8.21	5.33	0.48	0.65
4	A'	284	259	1.11	8.76	0.61	0.76
5	A"	969	884	288.97	12.42	0.75	0.86
6	A"	378	345	5.77	4.89	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.167	0.448	0.000
F2	-0.744	1.463	0.000
Cl3	0.167	-0.466	1.526
Cl4	0.167	-0.466	-1.526

	C1	F2	Cl3	Cl4
C1		1.3637	1.7791	1.7791
F2	1.3637		2.6230	2.6230
Cl3	1.7791	2.6230		3.0517
Cl4	1.7791	2.6230	3.0517

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
F2	C1	Cl3	112.481		F2	C1	Cl4	112.481
Cl3	C1	Cl4	118.112

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

using model chemistry: HF/CEP-121G

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	0.099
2	F	-0.228
3	Cl	0.064
4	Cl	0.064

	x	y	z	Total
	0.649	-0.423	0.000	0.774
CHELPG
AIM
ESP

	x	y	z
x	2.079	-0.384	0.000
y	-0.384	3.524	0.000
z	0.000	0.000	6.452

<r²>	78.098
(<r²>)^1/2	8.837

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

using model chemistry: HF/CEP-121G

States and conformations

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