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	hartrees
Energy at 0K	-598.321986
Energy at 298.15K
HF Energy	-598.321986
Nuclear repulsion energy	92.528307

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	3098	3053	18.61	103.63	0.28	0.44
2	A	1284	1265	66.28	6.28	0.69	0.81
3	A	1168	1152	155.74	4.29	0.44	0.61
4	A	844	832	55.86	6.24	0.62	0.77
5	A	713	703	44.56	12.16	0.17	0.29
6	A	393	387	0.78	3.60	0.65	0.79

Atom	x (Å)	y (Å)	z (Å)
C1	0.551	0.552	-0.138
H2	0.719	1.508	0.374
F3	1.536	-0.342	0.028
Cl4	-1.050	-0.102	0.012

	C1	H2	F3	Cl4
C1		1.0976	1.3407	1.7352
H2	1.0976		2.0516	2.4193
F3	1.3407	2.0516		2.5971
Cl4	1.7352	2.4193	2.5971

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	C1	F3	114.210		H2	C1	Cl4	115.463
F3	C1	Cl4	114.594

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

using model chemistry: PBEPBE/6-31G*

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	-0.022
2	H	0.189
3	F	-0.181
4	Cl	0.014

	x	y	z	Total
	0.265	0.996	0.475	1.135
CHELPG
AIM
ESP

	x	y	z
x	4.466	0.564	-0.093
y	0.564	2.787	0.098
z	-0.093	0.098	1.879

<r²>	62.243
(<r²>)^1/2	7.889