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	hartrees
Energy at 0K	-598.491409
Energy at 298.15K
HF Energy	-598.491409
Nuclear repulsion energy	94.002881

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	3191	3191	7.06	97.08	0.24	0.39
2	A	1303	1303	59.84	2.11	0.75	0.86
3	A	1197	1197	192.68	2.73	0.48	0.65
4	A	861	861	67.91	4.40	0.29	0.45
5	A	706	706	18.88	6.16	0.13	0.24
6	A	413	413	1.23	2.47	0.62	0.77

Atom	x (Å)	y (Å)	z (Å)
C1	0.534	0.541	-0.126
H2	0.715	1.504	0.336
F3	1.515	-0.336	0.026
Cl4	-1.033	-0.101	0.011

	C1	H2	F3	Cl4
C1		1.0837	1.3255	1.6986
H2	1.0837		2.0311	2.3957
F3	1.3255	2.0311		2.5591
Cl4	1.6986	2.3957	2.5591

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	C1	F3	114.554		H2	C1	Cl4	117.147
F3	C1	Cl4	115.053

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

using model chemistry: HSEh1PBE/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	0.080
2	H	0.114
3	F	-0.149
4	Cl	-0.045

	x	y	z	Total
	-0.067	1.077	0.405	1.152
CHELPG
AIM
ESP

	x	y	z
x	4.775	0.475	-0.104
y	0.475	3.377	0.003
z	-0.104	0.003	2.718

<r²>	60.952
(<r²>)^1/2	7.807