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	hartrees
Energy at 0K	-597.260223
Energy at 298.15K
HF Energy	-597.260223
Nuclear repulsion energy	90.685839

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	3445	3102	10.36	93.48	0.23	0.37
2	A	1374	1237	60.87	4.89	0.71	0.83
3	A	1179	1062	223.02	6.22	0.55	0.71
4	A	877	790	15.80	4.05	0.72	0.84
5	A	762	686	77.57	28.01	0.26	0.42
6	A	390	351	4.70	5.45	0.61	0.76

Atom	x (Å)	y (Å)	z (Å)
C1	0.570	0.573	-0.132
H2	0.753	1.501	0.371
F3	1.563	-0.354	0.026
Cl4	-1.073	-0.103	0.011

	C1	H2	F3	Cl4
C1		1.0706	1.3675	1.7832
H2	1.0706		2.0529	2.4569
F3	1.3675	2.0529		2.6482
Cl4	1.7832	2.4569	2.6482

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	C1	F3	114.157		H2	C1	Cl4	116.617
F3	C1	Cl4	113.738

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

using model chemistry: HF/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	0.141
2	H	0.232
3	F	-0.311
4	Cl	-0.061

	x	y	z	Total
	0.077	2.101	0.332	2.129
CHELPG
AIM
ESP

	x	y	z
x	3.833	0.611	-0.093
y	0.611	2.026	0.049
z	-0.093	0.049	1.181

<r²>	64.983
(<r²>)^1/2	8.061