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	hartrees
Energy at 0K	-598.708199
Energy at 298.15K
HF Energy	-598.708199
Nuclear repulsion energy	92.851761

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	3098	3055	13.21	106.65	0.26	0.41
2	A	1264	1246	37.31	3.02	0.75	0.86
3	A	1127	1112	199.82	2.86	0.41	0.58
4	A	825	813	61.23	3.90	0.47	0.64
5	A	686	677	34.88	10.98	0.16	0.27
6	A	396	391	0.62	3.25	0.59	0.74

Atom	x (Å)	y (Å)	z (Å)
C1	0.544	0.548	-0.134
H2	0.717	1.502	0.361
F3	1.535	-0.339	0.027
Cl4	-1.047	-0.102	0.011

	C1	H2	F3	Cl4
C1		1.0888	1.3397	1.7242
H2	1.0888		2.0420	2.4096
F3	1.3397	2.0420		2.5922
Cl4	1.7242	2.4096	2.5922

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	C1	F3	114.068		H2	C1	Cl4	116.035
F3	C1	Cl4	114.995

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

using model chemistry: B97D3/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	0.075
2	H	0.104
3	F	-0.128
4	Cl	-0.051

	x	y	z	Total
	0.037	1.012	0.419	1.096
CHELPG
AIM
ESP

	x	y	z
x	4.993	0.542	-0.111
y	0.542	3.329	0.049
z	-0.111	0.049	2.585

<r²>	62.058
(<r²>)^1/2	7.878