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	hartrees
Energy at 0K	-598.608953
Energy at 298.15K
HF Energy	-598.608953
Nuclear repulsion energy	93.291437

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	3211	3045	16.22	96.82	0.27	0.43
2	A	1344	1274	83.30	5.02	0.69	0.82
3	A	1225	1161	163.28	3.82	0.50	0.67
4	A	875	830	58.77	6.04	0.59	0.74
5	A	754	715	42.84	10.11	0.18	0.30
6	A	410	389	1.36	3.04	0.66	0.79

Atom	x (Å)	y (Å)	z (Å)
C1	0.549	0.548	-0.134
H2	0.724	1.498	0.364
F3	1.521	-0.341	0.028
Cl4	-1.042	-0.101	0.011

	C1	H2	F3	Cl4
C1		1.0872	1.3272	1.7240
H2	1.0872		2.0329	2.4077
F3	1.3272	2.0329		2.5742
Cl4	1.7240	2.4077	2.5742

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	C1	F3	114.334		H2	C1	Cl4	115.989
F3	C1	Cl4	114.434

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

using model chemistry: wB97X-D/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	0.018
2	H	0.204
3	F	-0.221
4	Cl	-0.001

	x	y	z	Total
	0.236	1.171	0.433	1.270
CHELPG
AIM
ESP

	x	y	z
x	4.194	0.540	-0.081
y	0.540	2.677	0.098
z	-0.081	0.098	1.834

<r²>	61.461
(<r²>)^1/2	7.840