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	hartrees
Energy at 0K	-1058.316275
Energy at 298.15K
HF Energy	-1058.316275
Nuclear repulsion energy	197.524168

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'	1175	1140	259.45	0.99	0.44	0.61
2	A'	597	579	15.27	16.59	0.08	0.15
3	A'	459	446	0.75	2.76	0.54	0.70
4	A'	277	269	0.00	5.74	0.61	0.76
5	A"	878	852	322.28	2.41	0.75	0.86
6	A"	374	363	0.00	3.17	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.163	0.452	0.000
F2	-0.724	1.443	0.000
Cl3	0.163	-0.462	1.489
Cl4	0.163	-0.462	-1.489

	C1	F2	Cl3	Cl4
C1		1.3301	1.7468	1.7468
F2	1.3301		2.5752	2.5752
Cl3	1.7468	2.5752		2.9776
Cl4	1.7468	2.5752	2.9776

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
F2	C1	Cl3	112.943		F2	C1	Cl4	112.943
Cl3	C1	Cl4	116.927

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

using model chemistry: B3LYP/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	0.098
2	F	-0.107
3	Cl	0.005
4	Cl	0.005

	x	y	z	Total
	0.023	-0.257	0.000	0.258
CHELPG
AIM
ESP

	x	y	z
x	2.560	-0.375	0.000
y	-0.375	3.942	0.000
z	0.000	0.000	6.714

<r²>	130.111
(<r²>)^1/2	11.407

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

using model chemistry: B3LYP/cc-pVDZ

States and conformations

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