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	hartrees
Energy at 0K	-598.463292
Energy at 298.15K
HF Energy	-598.463292
Nuclear repulsion energy	93.893034

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	3068	4.81	97.15	0.22	0.36
2	A	1298	1248	57.76	1.63	0.59	0.74
3	A	1198	1152	193.77	2.45	0.62	0.77
4	A	859	826	66.67	5.86	0.12	0.21
5	A	714	686	19.28	5.27	0.12	0.22
6	A	412	397	1.21	1.86	0.53	0.69

Atom	x (Å)	y (Å)	z (Å)
C1	0.538	0.543	-0.128
H2	0.718	1.503	0.342
F3	1.515	-0.338	0.026
Cl4	-1.034	-0.101	0.011

	C1	H2	F3	Cl4
C1		1.0839	1.3248	1.7043
H2	1.0839		2.0309	2.3987
F3	1.3248	2.0309		2.5599
Cl4	1.7043	2.3987	2.5599

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	C1	F3	114.583		H2	C1	Cl4	116.945
F3	C1	Cl4	114.791

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

using model chemistry: PBE1PBE/aug-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	-0.076
2	H	0.345
3	F	-0.252
4	Cl	-0.017

	x	y	z	Total
	-0.007	1.094	0.392	1.162
CHELPG
AIM
ESP

	x	y	z
x	5.349	0.405	-0.110
y	0.405	4.076	-0.025
z	-0.110	-0.025	3.537

<r²>	61.146
(<r²>)^1/2	7.820