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	hartrees
Energy at 0K	-1058.178383
Energy at 298.15K
HF Energy	-1058.178383
Nuclear repulsion energy	198.882683

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'	1152	1111	232.65	1.94	0.74	0.85
2	A'	612	591	8.97	17.15	0.06	0.12
3	A'	461	445	0.43	1.43	0.34	0.51
4	A'	281	271	0.01	2.98	0.54	0.70
5	A"	918	886	295.09	1.82	0.75	0.86
6	A"	377	364	0.27	2.00	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.162	0.440	0.000
F2	-0.721	1.440	0.000
Cl3	0.162	-0.459	1.476
Cl4	0.162	-0.459	-1.476

	C1	F2	Cl3	Cl4
C1		1.3334	1.7286	1.7286
F2	1.3334		2.5618	2.5618
Cl3	1.7286	2.5618		2.9528
Cl4	1.7286	2.5618	2.9528

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
F2	C1	Cl3	112.942		F2	C1	Cl4	112.942
Cl3	C1	Cl4	117.322

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

using model chemistry: B3PW91/aug-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	0.097
2	F	-0.264
3	Cl	0.083
4	Cl	0.083

	x	y	z	Total
	0.154	-0.365	0.000	0.397
CHELPG
AIM
ESP

	x	y	z
x	4.836	-0.305	0.000
y	-0.305	5.777	0.000
z	0.000	0.000	8.256

<r²>	128.784
(<r²>)^1/2	11.348

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

using model chemistry: B3PW91/aug-cc-pVDZ

States and conformations

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