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	hartrees
Energy at 0K	-1053.379807
Energy at 298.15K
HF Energy	-1053.379807
Nuclear repulsion energy	198.040125

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'	1199	1145	169.99	1.18	0.46	0.63
2	A'	563	538	12.55	17.72	0.10	0.18
3	A'	431	411	1.65	1.70	0.75	0.85
4	A'	287	274	0.18	5.33	0.61	0.76
5	A"	876	836	321.30	1.70	0.75	0.86
6	A"	358	341	0.50	3.34	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.157	0.431	0.000
F2	-0.697	1.485	0.000
Cl3	0.157	-0.469	1.472
Cl4	0.157	-0.469	-1.472

	C1	F2	Cl3	Cl4
C1		1.3564	1.7257	1.7257
F2	1.3564		2.5914	2.5914
Cl3	1.7257	2.5914		2.9449
Cl4	1.7257	2.5914	2.9449

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
F2	C1	Cl3	113.912		F2	C1	Cl4	113.912
Cl3	C1	Cl4	117.136

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

using model chemistry: B1B95/3-21G*

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	0.071
2	F	-0.240
3	Cl	0.085
4	Cl	0.085

	x	y	z	Total
	0.061	-0.501	0.000	0.504
CHELPG
AIM
ESP

	x	y	z
x	2.340	-0.444	0.000
y	-0.444	3.714	0.000
z	0.000	0.000	6.286

<r²>	129.487
(<r²>)^1/2	11.379

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

using model chemistry: B1B95/3-21G*

States and conformations

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