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	hartrees
Energy at 0K	-598.655285
Energy at 298.15K
HF Energy	-598.655285
Nuclear repulsion energy	93.505145

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	3226	3070	6.90	96.16	0.27	0.42
2	A	1315	1252	61.35	3.54	0.74	0.85
3	A	1192	1134	216.12	3.12	0.51	0.68
4	A	868	826	72.43	5.24	0.28	0.44
5	A	741	705	27.43	8.09	0.16	0.27
6	A	410	390	1.62	2.63	0.69	0.81

Atom	x (Å)	y (Å)	z (Å)
C1	0.539	0.549	-0.131
H2	0.725	1.502	0.354
F3	1.520	-0.340	0.027
Cl4	-1.037	-0.102	0.011

	C1	H2	F3	Cl4
C1		1.0851	1.3336	1.7108
H2	1.0851		2.0328	2.4070
F3	1.3336	2.0328		2.5686
Cl4	1.7108	2.4070	2.5686

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	C1	F3	113.983		H2	C1	Cl4	117.071
F3	C1	Cl4	114.507

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

using model chemistry: mPW1PW91/6-31+G**

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	-0.071
2	H	0.195
3	F	-0.198
4	Cl	0.075

	x	y	z	Total
	-0.070	1.248	0.458	1.332
CHELPG
AIM
ESP

	x	y	z
x	4.679	0.483	-0.132
y	0.483	3.196	-0.009
z	-0.132	-0.009	2.546

<r²>	61.562
(<r²>)^1/2	7.846