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	hartrees
Energy at 0K	-598.768745
Energy at 298.15K
HF Energy	-598.768745
Nuclear repulsion energy	93.404786

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	3170	3051	7.25	99.36	0.25	0.40
2	A	1297	1248	45.76	2.43	0.75	0.86
3	A	1162	1118	204.16	2.75	0.45	0.62
4	A	841	810	66.43	3.87	0.36	0.52
5	A	699	673	25.19	8.27	0.14	0.25
6	A	406	390	1.02	2.74	0.60	0.75

Atom	x (Å)	y (Å)	z (Å)
C1	0.539	0.546	-0.128
H2	0.721	1.503	0.344
F3	1.525	-0.338	0.026
Cl4	-1.040	-0.102	0.011

	C1	H2	F3	Cl4
C1		1.0829	1.3336	1.7117
H2	1.0829		2.0347	2.4054
F3	1.3336	2.0347		2.5759
Cl4	1.7117	2.4054	2.5759

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	C1	F3	114.311		H2	C1	Cl4	117.011
F3	C1	Cl4	114.969

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

using model chemistry: B3LYP/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	0.082
2	H	0.132
3	F	-0.164
4	Cl	-0.049

	x	y	z	Total
	-0.106	1.083	0.418	1.166
CHELPG
AIM
ESP

	x	y	z
x	4.890	0.491	-0.111
y	0.491	3.413	0.004
z	-0.111	0.004	2.741

<r²>	61.656
(<r²>)^1/2	7.852