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	hartrees
Energy at 0K	-1056.097460
Energy at 298.15K
HF Energy	-1056.097460
Nuclear repulsion energy	194.106202

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'	1251	1130	220.56	5.16	0.70	0.82
2	A'	609	550	21.95	33.59	0.13	0.24
3	A'	441	398	8.04	3.85	0.54	0.70
4	A'	283	255	1.21	7.68	0.61	0.76
5	A"	936	845	282.26	10.47	0.75	0.86
6	A"	382	345	4.54	4.67	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.163	0.446	0.000
F2	-0.723	1.467	0.000
Cl3	0.163	-0.467	1.522
Cl4	0.163	-0.467	-1.522

	C1	F2	Cl3	Cl4
C1		1.3511	1.7751	1.7751
F2	1.3511		2.6154	2.6154
Cl3	1.7751	2.6154		3.0448
Cl4	1.7751	2.6154	3.0448

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
F2	C1	Cl3	112.863		F2	C1	Cl4	112.863
Cl3	C1	Cl4	118.106

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

using model chemistry: HF/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	0.102
2	F	-0.355
3	Cl	0.127
4	Cl	0.127

	x	y	z	Total
	0.591	-0.445	0.000	0.740
CHELPG
AIM
ESP

	x	y	z
x	1.877	-0.424	0.000
y	-0.424	3.266	0.000
z	0.000	0.000	6.284

<r²>	135.520
(<r²>)^1/2	11.641

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

using model chemistry: HF/6-31G

States and conformations

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