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	hartrees
Energy at 0K	-1057.846009
Energy at 298.15K
HF Energy	-1057.846009
Nuclear repulsion energy	199.579879

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'	1235	1179	243.37	0.95	0.46	0.63
2	A'	621	593	15.25	15.29	0.09	0.16
3	A'	466	444	1.30	2.01	0.63	0.77
4	A'	289	276	0.06	5.07	0.61	0.76
5	A"	934	892	332.35	1.92	0.75	0.86
6	A"	385	368	0.28	2.95	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.159	0.437	0.000
F2	-0.709	1.434	0.000
Cl3	0.159	-0.457	1.474
Cl4	0.159	-0.457	-1.474

	C1	F2	Cl3	Cl4
C1		1.3221	1.7243	1.7243
F2	1.3221		2.5503	2.5503
Cl3	1.7243	2.5503		2.9486
Cl4	1.7243	2.5503	2.9486

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
F2	C1	Cl3	113.020		F2	C1	Cl4	113.020
Cl3	C1	Cl4	117.523

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

using model chemistry: HSEh1PBE/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	0.078
2	F	-0.197
3	Cl	0.060
4	Cl	0.060

	x	y	z	Total
	0.030	-0.180	0.000	0.183
CHELPG
AIM
ESP

	x	y	z
x	2.681	-0.366	0.000
y	-0.366	3.937	0.000
z	0.000	0.000	6.554

<r²>	127.978
(<r²>)^1/2	11.313

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

using model chemistry: HSEh1PBE/6-31G**

States and conformations

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