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	hartrees
Energy at 0K	-1057.873028
Energy at 298.15K
HF Energy	-1057.873028
Nuclear repulsion energy	199.551426

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'	1173	1173	234.95	1.89	0.67	0.80
2	A'	625	625	8.55	16.07	0.07	0.12
3	A'	466	466	0.47	1.44	0.29	0.45
4	A'	284	284	0.00	2.79	0.52	0.68
5	A"	938	938	292.64	1.38	0.75	0.86
6	A"	382	382	0.40	1.85	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.162	0.439	0.000
F2	-0.719	1.435	0.000
Cl3	0.162	-0.457	1.471
Cl4	0.162	-0.457	-1.471

	C1	F2	Cl3	Cl4
C1		1.3292	1.7228	1.7228
F2	1.3292		2.5534	2.5534
Cl3	1.7228	2.5534		2.9423
Cl4	1.7228	2.5534	2.9423

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
F2	C1	Cl3	112.940		F2	C1	Cl4	112.940
Cl3	C1	Cl4	117.278

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

using model chemistry: PBE1PBE/daug-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	-0.124
2	F	-0.454
3	Cl	0.289
4	Cl	0.289

	x	y	z	Total
	0.157	-0.348	0.000	0.381
CHELPG
AIM
ESP

	x	y	z
x	5.051	-0.290	0.000
y	-0.290	5.943	0.000
z	0.000	0.000	8.344

<r²>	128.092
(<r²>)^1/2	11.318

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

using model chemistry: PBE1PBE/daug-cc-pVDZ

States and conformations

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