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	hartrees
Energy at 0K	-591.670765
Energy at 298.15K
HF Energy	-591.670765
Nuclear repulsion energy	89.691411

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	3319	2937	1.13	40.46	0.34	0.51
2	A	1424	1261	100.66	2.22	0.29	0.45
3	A	1282	1134	18.67	6.02	0.71	0.83
4	A	879	778	32.38	4.78	0.65	0.79
5	A	765	677	41.57	9.83	0.18	0.31
6	A	389	344	2.43	2.63	0.67	0.80

Atom	x (Å)	y (Å)	z (Å)
C1	0.603	0.560	-0.150
H2	0.724	1.515	0.413
F3	1.580	-0.351	0.032
Cl4	-1.092	-0.101	0.012

	C1	H2	F3	Cl4
C1		1.1160	1.3484	1.8260
H2	1.1160		2.0883	2.4643
F3	1.3484	2.0883		2.6842
Cl4	1.8260	2.4643	2.6842

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	C1	F3	115.532		H2	C1	Cl4	111.490
F3	C1	Cl4	114.630

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

using model chemistry: B3PW91/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	0.056
2	H	0.105
3	F	-0.013
4	Cl	-0.148

	x	y	z	Total
	1.646	0.831	0.420	1.892
CHELPG
AIM
ESP

	x	y	z
x	2.724	0.331	0.014
y	0.331	1.195	0.052
z	0.014	0.052	0.472

<r²>	64.494
(<r²>)^1/2	8.031