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	hartrees
Energy at 0K	-598.623436
Energy at 298.15K
HF Energy	-598.623436
Nuclear repulsion energy	93.689397

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	3185	3185	11.48	89.43	0.26	0.42
2	A	1322	1322	91.97	2.73	0.70	0.82
3	A	1235	1235	139.19	3.20	0.50	0.66
4	A	864	864	58.69	5.04	0.41	0.58
5	A	730	730	30.31	8.60	0.14	0.24
6	A	411	411	1.09	2.32	0.60	0.75

Atom	x (Å)	y (Å)	z (Å)
C1	0.550	0.542	-0.131
H2	0.721	1.501	0.351
F3	1.515	-0.340	0.027
Cl4	-1.039	-0.100	0.011

	C1	H2	F3	Cl4
C1		1.0870	1.3162	1.7190
H2	1.0870		2.0300	2.4030
F3	1.3162	2.0300		2.5647
Cl4	1.7190	2.4030	2.5647

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	C1	F3	114.948		H2	C1	Cl4	115.995
F3	C1	Cl4	114.689

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

using model chemistry: wB97X-D/6-31G(2df,p)

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	-0.018
2	H	0.176
3	F	-0.064
4	Cl	-0.094

	x	y	z	Total
	0.270	1.073	0.378	1.169
CHELPG
AIM
ESP

	x	y	z
x	4.562	0.474	-0.063
y	0.474	3.184	0.080
z	-0.063	0.080	2.444

<r²>	61.034
(<r²>)^1/2	7.812