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	hartrees
Energy at 0K	-598.653972
Energy at 298.15K
HF Energy	-598.653972
Nuclear repulsion energy	93.615561

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	3210	3210	8.21	89.20	0.27	0.42
2	A	1327	1327	78.21	3.71	0.73	0.84
3	A	1220	1220	194.73	3.02	0.56	0.72
4	A	864	864	66.43	5.03	0.52	0.68
5	A	747	747	38.34	8.52	0.20	0.34
6	A	413	413	1.68	3.37	0.68	0.81

Atom	x (Å)	y (Å)	z (Å)
C1	0.547	0.550	-0.134
H2	0.722	1.495	0.365
F3	1.513	-0.342	0.027
Cl4	-1.037	-0.101	0.011

	C1	H2	F3	Cl4
C1		1.0831	1.3251	1.7182
H2	1.0831		2.0290	2.4010
F3	1.3251	2.0290		2.5613
Cl4	1.7182	2.4010	2.5613

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	C1	F3	114.452		H2	C1	Cl4	116.138
F3	C1	Cl4	114.005

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

using model chemistry: M06-2X/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	0.040
2	H	0.173
3	F	-0.183
4	Cl	-0.030

	x	y	z	Total
	0.109	1.300	0.419	1.370
CHELPG
AIM
ESP

	x	y	z
x	4.321	0.643	-0.143
y	0.643	2.625	0.045
z	-0.143	0.045	1.855

<r²>	61.464
(<r²>)^1/2	7.840