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	hartrees
Energy at 0K	-1058.441163
Energy at 298.15K
HF Energy	-1058.441163
Nuclear repulsion energy	201.095761

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	1199	244.78	1.19	0.54	0.70
2	A'	608	608	8.66	13.63	0.07	0.13
3	A'	459	459	0.73	0.94	0.74	0.85
4	A'	283	283	0.00	3.40	0.61	0.76
5	A"	939	939	294.85	1.53	0.75	0.86
6	A"	385	385	0.53	2.26	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.155	0.425	0.000
F2	-0.687	1.441	0.000
Cl3	0.155	-0.457	1.460
Cl4	0.155	-0.457	-1.460

	C1	F2	Cl3	Cl4
C1		1.3195	1.7058	1.7058
F2	1.3195		2.5382	2.5382
Cl3	1.7058	2.5382		2.9209
Cl4	1.7058	2.5382	2.9209

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
F2	C1	Cl3	113.454		F2	C1	Cl4	113.454
Cl3	C1	Cl4	117.778

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

using model chemistry: B1B95/Def2TZVPP

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	0.149
2	F	-0.124
3	Cl	-0.013
4	Cl	-0.013

	x	y	z	Total
	0.112	-0.436	0.000	0.450
CHELPG
AIM
ESP

	x	y	z
x	3.831	-0.294	0.000
y	-0.294	4.875	0.000
z	0.000	0.000	7.351

<r²>	126.282
(<r²>)^1/2	11.238

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

using model chemistry: B1B95/Def2TZVPP

States and conformations

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