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	hartrees
Energy at 0K	-598.677218
Energy at 298.15K
HF Energy	-598.677218
Nuclear repulsion energy	93.402264

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	3189	3050	11.48	92.00	0.27	0.43
2	A	1320	1263	65.97	3.91	0.74	0.85
3	A	1198	1146	207.65	3.02	0.50	0.67
4	A	858	821	68.56	4.70	0.54	0.70
5	A	737	705	38.22	9.80	0.20	0.33
6	A	413	395	1.36	3.48	0.67	0.80

Atom	x (Å)	y (Å)	z (Å)
C1	0.548	0.547	-0.132
H2	0.724	1.499	0.359
F3	1.519	-0.341	0.027
Cl4	-1.040	-0.101	0.011

	C1	H2	F3	Cl4
C1		1.0853	1.3259	1.7217
H2	1.0853		2.0317	2.4070
F3	1.3259	2.0317		2.5708
Cl4	1.7217	2.4070	2.5708

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	C1	F3	114.467		H2	C1	Cl4	116.230
F3	C1	Cl4	114.409

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

using model chemistry: wB97X-D/6-311G**

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	0.030
2	H	0.167
3	F	-0.165
4	Cl	-0.033

	x	y	z	Total
	0.131	1.238	0.454	1.325
CHELPG
AIM
ESP

	x	y	z
x	4.395	0.631	-0.138
y	0.631	2.630	0.049
z	-0.138	0.049	1.842

<r²>	61.646
(<r²>)^1/2	7.851