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	hartrees
Energy at 0K	-1057.799020
Energy at 298.15K
HF Energy	-1057.799020
Nuclear repulsion energy	199.688306

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'	1242	1180	243.23	0.94	0.45	0.62
2	A'	623	592	15.20	15.15	0.09	0.16
3	A'	466	443	1.31	1.98	0.63	0.78
4	A'	289	275	0.07	5.03	0.61	0.76
5	A"	938	892	331.96	1.88	0.75	0.86
6	A"	386	367	0.30	2.93	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.159	0.437	0.000
F2	-0.708	1.434	0.000
Cl3	0.159	-0.457	1.474
Cl4	0.159	-0.457	-1.474

	C1	F2	Cl3	Cl4
C1		1.3212	1.7234	1.7234
F2	1.3212		2.5489	2.5489
Cl3	1.7234	2.5489		2.9471
Cl4	1.7234	2.5489	2.9471

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
F2	C1	Cl3	113.025		F2	C1	Cl4	113.025
Cl3	C1	Cl4	117.522

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

using model chemistry: PBE1PBE/6-31G*

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	0.075
2	F	-0.197
3	Cl	0.061
4	Cl	0.061

	x	y	z	Total
	0.025	-0.175	0.000	0.177
CHELPG
AIM
ESP

	x	y	z
x	2.679	-0.364	0.000
y	-0.364	3.932	0.000
z	0.000	0.000	6.541

<r²>	127.867
(<r²>)^1/2	11.308

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

using model chemistry: PBE1PBE/6-31G*

States and conformations

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