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	hartrees
Energy at 0K	-598.394055
Energy at 298.15K
HF Energy	-598.394055
Nuclear repulsion energy	93.499346

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	3204	3057	14.14	97.07	0.26	0.42
2	A	1330	1269	87.94	4.91	0.67	0.80
3	A	1226	1170	153.19	4.01	0.52	0.69
4	A	870	830	65.03	6.59	0.51	0.68
5	A	743	709	33.15	9.25	0.18	0.31
6	A	410	391	1.36	3.02	0.66	0.80

Atom	x (Å)	y (Å)	z (Å)
C1	0.545	0.546	-0.132
H2	0.717	1.503	0.355
F3	1.519	-0.340	0.027
Cl4	-1.039	-0.101	0.011

	C1	H2	F3	Cl4
C1		1.0873	1.3269	1.7164
H2	1.0873		2.0365	2.4032
F3	1.3269	2.0365		2.5691
Cl4	1.7164	2.4032	2.5691

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	C1	F3	114.680		H2	C1	Cl4	116.187
F3	C1	Cl4	114.568

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

using model chemistry: HSEh1PBE/6-31G**

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	0.049
2	H	0.165
3	F	-0.221
4	Cl	0.007

	x	y	z	Total
	0.213	1.132	0.415	1.224
CHELPG
AIM
ESP

	x	y	z
x	4.197	0.540	-0.080
y	0.540	2.699	0.096
z	-0.080	0.096	1.846

<r²>	61.259
(<r²>)^1/2	7.827