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	hartrees
Energy at 0K	-1057.918597
Energy at 298.15K
HF Energy	-1057.918597
Nuclear repulsion energy	199.439460

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'	1166	1122	233.00	1.93	0.73	0.84
2	A'	623	599	8.45	16.27	0.06	0.12
3	A'	465	447	0.49	1.32	0.35	0.52
4	A'	284	273	0.00	2.82	0.55	0.71
5	A"	935	900	293.19	1.70	0.75	0.86
6	A"	381	367	0.43	1.91	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.162	0.439	0.000
F2	-0.719	1.436	0.000
Cl3	0.162	-0.458	1.472
Cl4	0.162	-0.458	-1.472

	C1	F2	Cl3	Cl4
C1		1.3307	1.7233	1.7233
F2	1.3307		2.5551	2.5551
Cl3	1.7233	2.5551		2.9438
Cl4	1.7233	2.5551	2.9438

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
F2	C1	Cl3	112.941		F2	C1	Cl4	112.941
Cl3	C1	Cl4	117.319

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

using model chemistry: HSEh1PBE/aug-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	0.119
2	F	-0.274
3	Cl	0.078
4	Cl	0.078

	x	y	z	Total
	0.169	-0.370	0.000	0.406
CHELPG
AIM
ESP

	x	y	z
x	4.834	-0.297	0.000
y	-0.297	5.749	0.000
z	0.000	0.000	8.174

<r²>	128.222
(<r²>)^1/2	11.324

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

using model chemistry: HSEh1PBE/aug-cc-pVDZ

States and conformations

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