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	hartrees
Energy at 0K	-598.733569
Energy at 298.15K
HF Energy	-598.733569
Nuclear repulsion energy	92.211326

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	3081	3071	5.64	109.51	0.24	0.38
2	A	1244	1240	29.08	2.01	0.60	0.75
3	A	1082	1078	208.92	3.28	0.61	0.76
4	A	808	806	61.64	4.42	0.16	0.28
5	A	675	672	33.78	10.61	0.13	0.22
6	A	386	385	0.59	2.65	0.48	0.65

Atom	x (Å)	y (Å)	z (Å)
C1	0.546	0.556	-0.134
H2	0.726	1.508	0.364
F3	1.544	-0.343	0.027
Cl4	-1.053	-0.103	0.011

	C1	H2	F3	Cl4
C1		1.0894	1.3524	1.7359
H2	1.0894		2.0513	2.4263
F3	1.3524	2.0513		2.6081
Cl4	1.7359	2.4263	2.6081

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	C1	F3	113.861		H2	C1	Cl4	116.484
F3	C1	Cl4	114.671

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

using model chemistry: BLYP/aug-cc-pVTZ

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	-0.037
2	H	0.297
3	F	-0.276
4	Cl	0.015

	x	y	z	Total
	-0.079	1.047	0.429	1.134
CHELPG
AIM
ESP

	x	y	z
x	5.913	0.444	-0.141
y	0.444	4.372	-0.039
z	-0.141	-0.039	3.778

<r²>	63.095
(<r²>)^1/2	7.943