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	hartrees
Energy at 0K	-591.725312
Energy at 298.15K
HF Energy	-591.725312
Nuclear repulsion energy	89.850295

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	3343	3343	0.96	39.71	0.34	0.51
2	A	1440	1440	103.96	2.14	0.31	0.47
3	A	1291	1291	19.55	6.07	0.71	0.83
4	A	882	882	33.24	5.10	0.62	0.77
5	A	770	770	40.64	9.32	0.18	0.30
6	A	393	393	2.60	2.56	0.68	0.81

Atom	x (Å)	y (Å)	z (Å)
C1	0.601	0.559	-0.148
H2	0.727	1.518	0.408
F3	1.577	-0.351	0.032
Cl4	-1.090	-0.101	0.012

	C1	H2	F3	Cl4
C1		1.1150	1.3472	1.8216
H2	1.1150		2.0871	2.4651
F3	1.3472	2.0871		2.6783
Cl4	1.8216	2.4651	2.6783

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	C1	F3	115.595		H2	C1	Cl4	111.898
F3	C1	Cl4	114.561

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

using model chemistry: wB97X-D/STO-3G

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	0.064
2	H	0.103
3	F	-0.021
4	Cl	-0.146

	x	y	z	Total
	1.618	0.867	0.403	1.879
CHELPG
AIM
ESP

	x	y	z
x	2.682	0.329	0.022
y	0.329	1.193	0.055
z	0.022	0.055	0.464

<r²>	64.323
(<r²>)^1/2	8.020