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	hartrees
Energy at 0K	-598.675351
Energy at 298.15K
HF Energy	-598.675351
Nuclear repulsion energy	93.390331

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	3188	3188	15.18	92.71	0.28	0.44
2	A	1333	1333	64.95	4.37	0.74	0.85
3	A	1197	1197	211.14	2.95	0.50	0.67
4	A	866	866	62.74	4.20	0.61	0.75
5	A	749	749	44.38	10.47	0.20	0.33
6	A	413	413	1.28	3.52	0.67	0.80

Atom	x (Å)	y (Å)	z (Å)
C1	0.548	0.547	-0.135
H2	0.728	1.493	0.367
F3	1.520	-0.341	0.028
Cl4	-1.041	-0.100	0.011

	C1	H2	F3	Cl4
C1		1.0857	1.3259	1.7222
H2	1.0857		2.0259	2.4069
F3	1.3259	2.0259		2.5717
Cl4	1.7222	2.4069	2.5717

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	C1	F3	113.928		H2	C1	Cl4	116.158
F3	C1	Cl4	114.445

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	-0.062
2	H	0.253
3	F	-0.165
4	Cl	-0.026

	x	y	z	Total
	0.134	1.239	0.469	1.332
CHELPG
AIM
ESP

	x	y	z
x	4.384	0.631	-0.143
y	0.631	2.610	0.052
z	-0.143	0.052	1.823

<r²>	61.672
(<r²>)^1/2	7.853