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	hartrees
Energy at 0K	-598.458547
Energy at 298.15K
HF Energy	-598.458547
Nuclear repulsion energy	93.585399

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	3195	3066	15.13	95.47	0.28	0.44
2	A	1329	1275	65.56	4.50	0.73	0.85
3	A	1199	1151	205.09	3.00	0.51	0.67
4	A	866	831	65.47	4.44	0.57	0.72
5	A	747	716	38.23	9.79	0.20	0.33
6	A	414	397	1.28	3.52	0.67	0.80

Atom	x (Å)	y (Å)	z (Å)
C1	0.544	0.545	-0.134
H2	0.723	1.494	0.363
F3	1.518	-0.339	0.028
Cl4	-1.038	-0.101	0.011

	C1	H2	F3	Cl4
C1		1.0856	1.3253	1.7155
H2	1.0856		2.0263	2.4013
F3	1.3253	2.0263		2.5671
Cl4	1.7155	2.4013	2.5671

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	C1	F3	114.012		H2	C1	Cl4	116.207
F3	C1	Cl4	114.573

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

using model chemistry: HSEh1PBE/6-311G*

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	-0.063
2	H	0.254
3	F	-0.165
4	Cl	-0.027

	x	y	z	Total
	0.122	1.210	0.457	1.299
CHELPG
AIM
ESP

	x	y	z
x	4.375	0.629	-0.144
y	0.629	2.617	0.050
z	-0.144	0.050	1.829

<r²>	61.495
(<r²>)^1/2	7.842