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	hartrees
Energy at 0K	-598.387880
Energy at 298.15K
HF Energy	-598.248254
Nuclear repulsion energy	93.099174

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	3229	3063	16.53	94.77	0.27	0.43
2	A	1347	1278	69.32	5.71	0.71	0.83
3	A	1202	1141	169.49	3.69	0.45	0.62
4	A	882	837	49.33	5.69	0.64	0.78
5	A	768	729	48.16	11.02	0.18	0.30
6	A	407	386	1.35	3.25	0.64	0.78

Atom	x (Å)	y (Å)	z (Å)
C1	0.545	0.551	-0.135
H2	0.719	1.497	0.368
F3	1.526	-0.341	0.028
Cl4	-1.043	-0.102	0.011

	C1	H2	F3	Cl4
C1		1.0851	1.3358	1.7233
H2	1.0851		2.0361	2.4057
F3	1.3358	2.0361		2.5800
Cl4	1.7233	2.4057	2.5800

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	C1	F3	114.108		H2	C1	Cl4	116.015
F3	C1	Cl4	114.403

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

using model chemistry: B2PLYP=FULLultrafine/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	0.046
2	H	0.190
3	F	-0.234
4	Cl	-0.002

	x	y	z	Total
	0.160	1.164	0.418	1.247
CHELPG
AIM
ESP

	x	y	z
x	4.205	0.534	-0.081
y	0.534	2.674	0.099
z	-0.081	0.099	1.816

<r²>	61.735
(<r²>)^1/2	7.857