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	hartrees
Energy at 0K	-591.645945
Energy at 298.15K
HF Energy	-591.645945
Nuclear repulsion energy	88.205721

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	3145	2910	3.55	45.90	0.34	0.50
2	A	1346	1246	82.32	2.95	0.30	0.46
3	A	1227	1135	20.08	6.01	0.67	0.80
4	A	860	795	22.03	4.06	0.75	0.86
5	A	711	658	48.31	12.73	0.20	0.34
6	A	366	339	2.04	3.00	0.65	0.79

Atom	x (Å)	y (Å)	z (Å)
C1	0.621	0.572	-0.161
H2	0.739	1.512	0.452
F3	1.603	-0.358	0.034
Cl4	-1.111	-0.101	0.012

	C1	H2	F3	Cl4
C1		1.1283	1.3663	1.8670
H2	1.1283		2.1018	2.4945
F3	1.3663	2.1018		2.7266
Cl4	1.8670	2.4945	2.7266

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	C1	F3	114.485		H2	C1	Cl4	110.332
F3	C1	Cl4	114.084

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

using model chemistry: BLYP/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	0.039
2	H	0.094
3	F	0.015
4	Cl	-0.147

	x	y	z	Total
	1.761	0.654	0.494	1.942
CHELPG
AIM
ESP

	x	y	z
x	3.008	0.374	-0.000
y	0.374	1.263	0.059
z	-0.000	0.059	0.513

<r²>	66.142
(<r²>)^1/2	8.133