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	hartrees
Energy at 0K	-598.493935
Energy at 298.15K
HF Energy	-598.493935
Nuclear repulsion energy	93.845160

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	3190	3190	4.84	97.57	0.22	0.36
2	A	1297	1297	54.87	1.73	0.57	0.72
3	A	1193	1193	196.48	2.35	0.66	0.79
4	A	857	857	66.54	5.95	0.11	0.20
5	A	711	711	19.54	4.94	0.13	0.24
6	A	412	412	1.19	1.88	0.52	0.68

Atom	x (Å)	y (Å)	z (Å)
C1	0.538	0.543	-0.127
H2	0.718	1.503	0.342
F3	1.516	-0.338	0.026
Cl4	-1.035	-0.101	0.011

	C1	H2	F3	Cl4
C1		1.0834	1.3256	1.7050
H2	1.0834		2.0313	2.3992
F3	1.3256	2.0313		2.5615
Cl4	1.7050	2.3992	2.5615

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	C1	F3	114.586		H2	C1	Cl4	116.959
F3	C1	Cl4	114.813

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

using model chemistry: HSEh1PBE/daug-cc-pVTZ

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	0.141
2	H	0.637
3	F	-0.541
4	Cl	-0.237

	x	y	z	Total
	-0.009	1.095	0.389	1.162
CHELPG
AIM
ESP

	x	y	z
x	5.395	0.407	-0.111
y	0.407	4.129	-0.023
z	-0.111	-0.023	3.599

<r²>	61.201
(<r²>)^1/2	7.823