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	hartrees
Energy at 0K	-598.709518
Energy at 298.15K
HF Energy	-598.709518
Nuclear repulsion energy	93.696522

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	3193	3054	5.05	93.36	0.22	0.36
2	A	1306	1249	55.43	1.69	0.55	0.71
3	A	1194	1143	201.59	2.42	0.61	0.76
4	A	854	817	66.09	5.64	0.12	0.21
5	A	714	683	23.31	6.46	0.11	0.20
6	A	412	394	1.18	1.90	0.50	0.66

Atom	x (Å)	y (Å)	z (Å)
C1	0.542	0.544	-0.128
H2	0.723	1.502	0.344
F3	1.517	-0.339	0.026
Cl4	-1.037	-0.101	0.011

	C1	H2	F3	Cl4
C1		1.0827	1.3249	1.7111
H2	1.0827		2.0299	2.4036
F3	1.3249	2.0299		2.5653
Cl4	1.7111	2.4036	2.5653

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	C1	F3	114.566		H2	C1	Cl4	116.919
F3	C1	Cl4	114.739

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

using model chemistry: wB97X-D/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	-0.043
2	H	0.336
3	F	-0.282
4	Cl	-0.011

	x	y	z	Total
	0.029	1.110	0.397	1.180
CHELPG
AIM
ESP

	x	y	z
x	5.349	0.389	-0.104
y	0.389	4.094	-0.024
z	-0.104	-0.024	3.573

<r²>	61.308
(<r²>)^1/2	7.830