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	hartrees
Energy at 0K	-598.416784
Energy at 298.15K
HF Energy	-598.416784
Nuclear repulsion energy	93.259864

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	3089	3063	5.17	99.79	0.24	0.39
2	A	1246	1236	35.89	1.90	0.66	0.80
3	A	1127	1118	199.25	3.05	0.58	0.73
4	A	832	825	66.89	5.31	0.13	0.23
5	A	674	668	20.44	6.67	0.12	0.22
6	A	398	395	0.86	2.23	0.54	0.70

Atom	x (Å)	y (Å)	z (Å)
C1	0.535	0.547	-0.130
H2	0.717	1.512	0.348
F3	1.528	-0.339	0.027
Cl4	-1.040	-0.103	0.011

	C1	H2	F3	Cl4
C1		1.0923	1.3396	1.7099
H2	1.0923		2.0465	2.4101
F3	1.3396	2.0465		2.5788
Cl4	1.7099	2.4101	2.5788

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	C1	F3	114.217		H2	C1	Cl4	116.924
F3	C1	Cl4	114.938

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

using model chemistry: PBEPBE/6-311+G(3df,2p)

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	0.146
2	H	0.169
3	F	-0.176
4	Cl	-0.139

	x	y	z	Total
	-0.089	0.999	0.430	1.092
CHELPG
AIM
ESP

	x	y	z
x	5.631	0.428	-0.136
y	0.428	4.152	-0.043
z	-0.136	-0.043	3.579

<r²>	61.889
(<r²>)^1/2	7.867