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	hartrees
Energy at 0K	-1044.546723
Energy at 298.15K
HF Energy	-1044.546723
Nuclear repulsion energy	193.392711

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'	1465	1196	122.36	2.76	0.47	0.64
2	A'	709	579	26.43	18.34	0.12	0.21
3	A'	459	375	11.10	1.28	0.62	0.77
4	A'	282	230	3.81	3.95	0.63	0.78
5	A"	1091	891	219.90	6.77	0.75	0.86
6	A"	387	316	3.45	2.79	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.161	0.483	0.000
F2	-0.715	1.490	0.000
Cl3	0.161	-0.480	1.516
Cl4	0.161	-0.480	-1.516

	C1	F2	Cl3	Cl4
C1		1.3345	1.7960	1.7960
F2	1.3345		2.6353	2.6353
Cl3	1.7960	2.6353		3.0328
Cl4	1.7960	2.6353	3.0328

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
F2	C1	Cl3	113.848		F2	C1	Cl4	113.848
Cl3	C1	Cl4	115.205

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

using model chemistry: HF/STO-3G

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	0.269
2	F	-0.073
3	Cl	-0.098
4	Cl	-0.098

	x	y	z	Total
	-0.035	1.107	0.000	1.107
CHELPG
AIM
ESP

	x	y	z
x	0.613	-0.413	0.000
y	-0.413	1.669	0.000
z	0.000	0.000	3.721

<r²>	134.023
(<r²>)^1/2	11.577

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

using model chemistry: HF/STO-3G

States and conformations

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