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	hartrees
Energy at 0K	-598.338875
Energy at 298.15K
HF Energy	-598.338875
Nuclear repulsion energy	92.548501

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	3110	3074	7.55	105.40	0.28	0.44
2	A	1254	1240	42.36	4.07	0.75	0.85
3	A	1120	1107	221.04	3.69	0.49	0.66
4	A	835	825	70.30	4.89	0.29	0.45
5	A	708	700	33.45	10.69	0.17	0.28
6	A	393	388	0.94	3.16	0.67	0.80

Atom	x (Å)	y (Å)	z (Å)
C1	0.541	0.556	-0.136
H2	0.726	1.511	0.369
F3	1.537	-0.343	0.027
Cl4	-1.047	-0.103	0.012

	C1	H2	F3	Cl4
C1		1.0962	1.3508	1.7263
H2	1.0962		2.0516	2.4246
F3	1.3508	2.0516		2.5952
Cl4	1.7263	2.4246	2.5952

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	C1	F3	113.540		H2	C1	Cl4	116.646
F3	C1	Cl4	114.454

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

using model chemistry: PBEPBEultrafine/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	-0.105
2	H	0.192
3	F	-0.174
4	Cl	0.087

	x	y	z	Total
	-0.102	1.134	0.517	1.251
CHELPG
AIM
ESP

	x	y	z
x	5.122	0.515	-0.166
y	0.515	3.427	-0.031
z	-0.166	-0.031	2.751

<r²>	62.641
(<r²>)^1/2	7.915