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	hartrees
Energy at 0K	-598.657027
Energy at 298.15K
HF Energy	-598.657027
Nuclear repulsion energy	91.581766

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	3046	3051	15.53	119.89	0.27	0.43
2	A	1232	1234	48.58	5.38	0.73	0.85
3	A	1114	1116	178.19	3.89	0.41	0.58
4	A	810	812	49.55	5.34	0.68	0.81
5	A	687	688	47.66	14.05	0.17	0.29
6	A	383	383	0.63	3.96	0.63	0.77

Atom	x (Å)	y (Å)	z (Å)
C1	0.560	0.557	-0.141
H2	0.729	1.514	0.384
F3	1.551	-0.346	0.029
Cl4	-1.062	-0.103	0.012

	C1	H2	F3	Cl4
C1		1.1054	1.3511	1.7572
H2	1.1054		2.0643	2.4416
F3	1.3511	2.0643		2.6244
Cl4	1.7572	2.4416	2.6244

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	C1	F3	113.974		H2	C1	Cl4	115.160
F3	C1	Cl4	114.565

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

using model chemistry: BLYP/cc-pVDZ

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	0.091
2	H	0.062
3	F	-0.111
4	Cl	-0.042

	x	y	z	Total
	0.129	0.958	0.460	1.070
CHELPG
AIM
ESP

	x	y	z
x	4.584	0.609	-0.097
y	0.609	2.763	0.111
z	-0.097	0.111	1.874

<r²>	63.304
(<r²>)^1/2	7.956