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	hartrees
Energy at 0K	-598.646624
Energy at 298.15K
HF Energy	-598.646624
Nuclear repulsion energy	89.617066

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	3214	3090	10.98	90.98	0.25	0.40
2	A	1259	1210	34.73	5.15	0.73	0.84
3	A	1079	1038	201.39	4.74	0.36	0.52
4	A	800	769	47.92	4.78	0.69	0.81
5	A	679	653	51.73	18.79	0.21	0.34
6	A	362	348	1.86	5.59	0.65	0.79

Atom	x (Å)	y (Å)	z (Å)
C1	0.572	0.576	-0.135
H2	0.750	1.522	0.375
F3	1.587	-0.354	0.027
Cl4	-1.086	-0.105	0.011

	C1	H2	F3	Cl4
C1		1.0893	1.3864	1.7980
H2	1.0893		2.0834	2.4800
F3	1.3864	2.0834		2.6847
Cl4	1.7980	2.4800	2.6847

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	C1	F3	114.066		H2	C1	Cl4	116.230
F3	C1	Cl4	114.316

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

using model chemistry: B3LYP/SDD

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	-0.051
2	H	0.238
3	F	-0.194
4	Cl	0.006

	x	y	z	Total
	-0.088	1.610	0.597	1.720
CHELPG
AIM
ESP

	x	y	z
x	4.327	0.605	-0.129
y	0.605	2.230	0.008
z	-0.129	0.008	1.322

<r²>	65.950
(<r²>)^1/2	8.121