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	hartrees
Energy at 0K	-44.497381
Energy at 298.15K
HF Energy	-44.497381
Nuclear repulsion energy	34.224324

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	3355	3062	9.03	90.11	0.24	0.39
2	A	1376	1255	65.60	5.81	0.74	0.85
3	A	1176	1073	231.62	6.51	0.61	0.76
4	A	896	818	19.20	4.80	0.65	0.79
5	A	801	731	76.39	28.63	0.26	0.41
6	A	396	361	5.55	5.32	0.62	0.77

Atom	x (Å)	y (Å)	z (Å)
C1	0.568	0.575	-0.136
H2	0.749	1.500	0.383
F3	1.561	-0.354	0.027
Cl4	-1.071	-0.104	0.011

	C1	H2	F3	Cl4
C1		1.0758	1.3698	1.7805
H2	1.0758		2.0551	2.4545
F3	1.3698	2.0551		2.6442
Cl4	1.7805	2.4545	2.6442

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	C1	F3	113.813		H2	C1	Cl4	116.299
F3	C1	Cl4	113.504

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

using model chemistry: HF/CEP-121G

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	0.125
2	H	0.183
3	F	-0.275
4	Cl	-0.033

	x	y	z	Total
	0.124	2.092	0.323	2.120
CHELPG
AIM
ESP

	x	y	z
x	4.117	0.623	-0.111
y	0.623	2.309	0.069
z	-0.111	0.069	1.505

<r²>	46.430
(<r²>)^1/2	6.814