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	hartrees
Energy at 0K	-595.548612
Energy at 298.15K
HF Energy	-595.548612
Nuclear repulsion energy	92.327946

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	3221	3092	11.74	86.97	0.27	0.43
2	A	1341	1287	47.58	6.64	0.70	0.82
3	A	1196	1148	121.42	3.85	0.48	0.64
4	A	836	803	73.69	6.85	0.49	0.66
5	A	647	621	30.01	9.35	0.17	0.29
6	A	388	373	1.62	3.43	0.69	0.81

Atom	x (Å)	y (Å)	z (Å)
C1	0.532	0.551	-0.120
H2	0.684	1.530	0.320
F3	1.553	-0.337	0.025
Cl4	-1.051	-0.106	0.010

	C1	H2	F3	Cl4
C1		1.0835	1.3608	1.7191
H2	1.0835		2.0804	2.4045
F3	1.3608	2.0804		2.6142
Cl4	1.7191	2.4045	2.6142

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	C1	F3	116.203		H2	C1	Cl4	116.333
F3	C1	Cl4	115.675

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

using model chemistry: HSEh1PBE/3-21G*

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	-0.024
2	H	0.251
3	F	-0.252
4	Cl	0.025

	x	y	z	Total
	-0.005	1.268	0.478	1.355
CHELPG
AIM
ESP

	x	y	z
x	3.989	0.481	-0.055
y	0.481	2.437	0.086
z	-0.055	0.086	1.473

<r²>	62.750
(<r²>)^1/2	7.921