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	hartrees
Energy at 0K	-598.708086
Energy at 298.15K
HF Energy	-598.708086
Nuclear repulsion energy	93.820738

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	3194	3051	6.68	93.77	0.24	0.39
2	A	1310	1251	58.78	2.02	0.75	0.86
3	A	1197	1143	199.58	2.75	0.46	0.63
4	A	855	817	67.94	4.02	0.32	0.49
5	A	708	676	22.81	6.84	0.13	0.24
6	A	413	395	1.18	2.52	0.61	0.75

Atom	x (Å)	y (Å)	z (Å)
C1	0.538	0.542	-0.127
H2	0.720	1.503	0.340
F3	1.517	-0.338	0.026
Cl4	-1.035	-0.101	0.011

	C1	H2	F3	Cl4
C1		1.0832	1.3251	1.7056
H2	1.0832		2.0300	2.4005
F3	1.3251	2.0300		2.5635
Cl4	1.7056	2.4005	2.5635

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	C1	F3	114.527		H2	C1	Cl4	117.048
F3	C1	Cl4	114.948

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

using model chemistry: wB97X-D/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	0.073
2	H	0.124
3	F	-0.156
4	Cl	-0.041

	x	y	z	Total
	-0.016	1.098	0.411	1.173
CHELPG
AIM
ESP

	x	y	z
x	4.772	0.472	-0.104
y	0.472	3.360	0.001
z	-0.104	0.001	2.712

<r²>	61.103
(<r²>)^1/2	7.817