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	hartrees
Energy at 0K	-598.687809
Energy at 298.15K
HF Energy	-598.687809
Nuclear repulsion energy	93.854202

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	3208	3066	4.19	91.24	0.21	0.34
2	A	1312	1254	65.32	1.61	0.55	0.71
3	A	1211	1157	189.06	2.19	0.63	0.78
4	A	865	827	65.19	6.01	0.12	0.22
5	A	728	696	20.22	5.04	0.12	0.21
6	A	411	393	1.65	1.81	0.53	0.69

Atom	x (Å)	y (Å)	z (Å)
C1	0.540	0.547	-0.129
H2	0.720	1.499	0.350
F3	1.513	-0.340	0.027
Cl4	-1.034	-0.101	0.011

	C1	H2	F3	Cl4
C1		1.0811	1.3260	1.7074
H2	1.0811		2.0284	2.3981
F3	1.3260	2.0284		2.5578
Cl4	1.7074	2.3981	2.5578

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	C1	F3	114.469		H2	C1	Cl4	116.847
F3	C1	Cl4	114.382

All results from a given calculation for CHFCl (Chlorofluoromethyl radical)

using model chemistry: M06-2X/aug-cc-pVTZ

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	-0.289
2	H	0.430
3	F	-0.221
4	Cl	0.080

	x	y	z	Total
	-0.047	1.180	0.370	1.238
CHELPG
AIM
ESP

	x	y	z
x	5.255	0.407	-0.112
y	0.407	4.053	-0.031
z	-0.112	-0.031	3.535

<r²>	61.200
(<r²>)^1/2	7.823