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	hartrees
Energy at 0K	-597.402119
Energy at 298.15K
HF Energy	-597.402119
Nuclear repulsion energy	94.245466

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	3342	3029	10.44	89.05	0.23	0.38
2	A	1423	1290	73.54	1.45	0.75	0.85
3	A	1289	1168	211.05	2.69	0.63	0.77
4	A	925	838	37.91	2.52	0.51	0.68
5	A	826	749	54.71	9.87	0.19	0.32
6	A	437	396	2.04	2.20	0.55	0.71

Atom	x (Å)	y (Å)	z (Å)
C1	0.548	0.542	-0.132
H2	0.727	1.479	0.358
F3	1.503	-0.339	0.027
Cl4	-1.032	-0.099	0.011

	C1	H2	F3	Cl4
C1		1.0721	1.3095	1.7117
H2	1.0721		2.0050	2.3885
F3	1.3095	2.0050		2.5471
Cl4	1.7117	2.3885	2.5471

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	C1	F3	114.307		H2	C1	Cl4	116.284
F3	C1	Cl4	114.271

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

using model chemistry: HF/Def2TZVPP

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	0.224
2	H	0.082
3	F	-0.231
4	Cl	-0.075

	x	y	z	Total
	0.084	1.358	0.312	1.395
CHELPG
AIM
ESP

	x	y	z
x	4.321	0.442	-0.075
y	0.442	3.144	0.024
z	-0.075	0.024	2.564

<r²>	60.788
(<r²>)^1/2	7.797