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	hartrees
Energy at 0K	-595.352463
Energy at 298.15K
HF Energy	-595.352463
Nuclear repulsion energy	88.643234

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	3071	3044	13.05	100.89	0.27	0.42
2	A	1256	1244	53.25	7.36	0.65	0.79
3	A	1162	1151	116.12	5.28	0.45	0.62
4	A	820	812	28.23	7.29	0.68	0.81
5	A	616	611	82.32	19.84	0.22	0.36
6	A	337	334	2.34	5.82	0.61	0.76

Atom	x (Å)	y (Å)	z (Å)
C1	0.617	0.572	-0.146
H2	0.727	1.512	0.409
F3	1.598	-0.357	0.031
Cl4	-1.107	-0.102	0.011

	C1	H2	F3	Cl4
C1		1.0973	1.3627	1.8567
H2	1.0973		2.0960	2.4747
F3	1.3627	2.0960		2.7168
Cl4	1.8567	2.4747	2.7168

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	C1	F3	116.452		H2	C1	Cl4	111.188
F3	C1	Cl4	114.236

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

using model chemistry: PBEPBE/3-21G

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	-0.091
2	H	0.253
3	F	-0.187
4	Cl	0.025

	x	y	z	Total
	0.846	1.246	0.630	1.632
CHELPG
AIM
ESP

	x	y	z
x	4.594	0.680	-0.108
y	0.680	2.306	0.102
z	-0.108	0.102	1.264

<r²>	67.167
(<r²>)^1/2	8.196