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	hartrees
Energy at 0K	-591.763041
Energy at 298.15K
HF Energy	-591.763041
Nuclear repulsion energy	90.405477

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	3390	3390	1.48	38.41	0.34	0.51
2	A	1468	1468	113.73	1.91	0.27	0.42
3	A	1302	1302	18.57	6.20	0.73	0.84
4	A	884	884	42.19	6.16	0.53	0.69
5	A	775	775	31.19	8.11	0.16	0.27
6	A	395	395	2.92	2.43	0.69	0.82

Atom	x (Å)	y (Å)	z (Å)
C1	0.596	0.557	-0.146
H2	0.719	1.517	0.399
F3	1.567	-0.350	0.031
Cl4	-1.082	-0.101	0.011

	C1	H2	F3	Cl4
C1		1.1109	1.3403	1.8086
H2	1.1109		2.0831	2.4516
F3	1.3403	2.0831		2.6609
Cl4	1.8086	2.4516	2.6609

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	C1	F3	116.074		H2	C1	Cl4	111.996
F3	C1	Cl4	114.534

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

using model chemistry: M06-2X/STO-3G

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	0.076
2	H	0.102
3	F	-0.030
4	Cl	-0.148

	x	y	z	Total
	1.578	0.908	0.382	1.860
CHELPG
AIM
ESP

	x	y	z
x	2.618	0.330	0.023
y	0.330	1.192	0.040
z	0.023	0.040	0.470

<r²>	63.703
(<r²>)^1/2	7.981