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	hartrees
Energy at 0K	-598.632190
Energy at 298.15K
HF Energy	-598.632190
Nuclear repulsion energy	93.373504

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	3180	3063	11.46	94.82	0.27	0.43
2	A	1309	1261	60.76	4.16	0.74	0.85
3	A	1186	1142	205.56	3.05	0.48	0.65
4	A	852	820	69.66	4.78	0.53	0.69
5	A	727	700	35.35	9.88	0.19	0.32
6	A	410	395	1.23	3.60	0.67	0.80

Atom	x (Å)	y (Å)	z (Å)
C1	0.545	0.547	-0.132
H2	0.720	1.500	0.357
F3	1.522	-0.340	0.027
Cl4	-1.040	-0.101	0.011

	C1	H2	F3	Cl4
C1		1.0857	1.3286	1.7192
H2	1.0857		2.0344	2.4052
F3	1.3286	2.0344		2.5733
Cl4	1.7192	2.4052	2.5733

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	C1	F3	114.465		H2	C1	Cl4	116.244
F3	C1	Cl4	114.593

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

using model chemistry: B3PW91/6-311G**

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	0.032
2	H	0.166
3	F	-0.165
4	Cl	-0.033

	x	y	z	Total
	0.104	1.203	0.452	1.289
CHELPG
AIM
ESP

	x	y	z
x	4.438	0.635	-0.142
y	0.635	2.647	0.045
z	-0.142	0.045	1.852

<r²>	61.681
(<r²>)^1/2	7.854