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	hartrees
Energy at 0K	-1058.156104
Energy at 298.15K
HF Energy	-1058.156104
Nuclear repulsion energy	199.773084

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'	1224	1165	264.40	1.11	0.75	0.86
2	A'	622	592	13.29	15.50	0.07	0.13
3	A'	460	438	1.65	1.55	0.69	0.82
4	A'	286	272	0.01	4.33	0.62	0.77
5	A"	944	899	327.69	2.12	0.75	0.86
6	A"	387	369	1.01	2.55	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.161	0.434	0.000
F2	-0.717	1.428	0.000
Cl3	0.161	-0.454	1.474
Cl4	0.161	-0.454	-1.474

	C1	F2	Cl3	Cl4
C1		1.3260	1.7206	1.7206
F2	1.3260		2.5464	2.5464
Cl3	1.7206	2.5464		2.9472
Cl4	1.7206	2.5464	2.9472

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
F2	C1	Cl3	112.761		F2	C1	Cl4	112.761
Cl3	C1	Cl4	117.835

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

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

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	-0.041
2	F	-0.174
3	Cl	0.107
4	Cl	0.107

	x	y	z	Total
	0.210	-0.423	0.000	0.473
CHELPG
AIM
ESP

	x	y	z
x	3.729	-0.267	0.000
y	-0.267	4.738	0.000
z	0.000	0.000	7.150

<r²>	128.200
(<r²>)^1/2	11.323

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

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

States and conformations

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