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	hartrees
Energy at 0K	-1058.058635
Energy at 298.15K
HF Energy	-1058.058635
Nuclear repulsion energy	193.325364

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'	1186	1186	217.52	1.26	0.71	0.83
2	A'	572	572	20.81	23.70	0.10	0.18
3	A'	428	428	3.88	4.38	0.62	0.77
4	A'	264	264	0.45	7.80	0.62	0.77
5	A"	870	870	308.10	4.11	0.75	0.86
6	A"	358	358	1.41	4.45	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.170	0.465	0.000
F2	-0.754	1.461	0.000
Cl3	0.170	-0.469	1.523
Cl4	0.170	-0.469	-1.523

	C1	F2	Cl3	Cl4
C1		1.3588	1.7865	1.7865
F2	1.3588		2.6265	2.6265
Cl3	1.7865	2.6265		3.0456
Cl4	1.7865	2.6265	3.0456

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
F2	C1	Cl3	112.538		F2	C1	Cl4	112.538
Cl3	C1	Cl4	116.949

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

using model chemistry: M06-2X/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	-0.019
2	F	-0.262
3	Cl	0.141
4	Cl	0.141

	x	y	z	Total
	0.236	-0.371	0.000	0.439
CHELPG
AIM
ESP

	x	y	z
x	2.066	-0.452	0.000
y	-0.452	3.568	0.000
z	0.000	0.000	6.647

<r²>	135.688
(<r²>)^1/2	11.649

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

using model chemistry: M06-2X/6-31G

States and conformations

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