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	hartrees
Energy at 0K	-598.655869
Energy at 298.15K
HF Energy	-598.655869
Nuclear repulsion energy	93.157175

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	3192	3056	5.19	93.74	0.22	0.35
2	A	1282	1227	50.56	1.44	0.62	0.77
3	A	1168	1118	205.86	2.75	0.54	0.70
4	A	855	819	67.55	5.42	0.15	0.27
5	A	732	701	23.94	7.52	0.13	0.23
6	A	406	389	1.28	2.00	0.52	0.69

Atom	x (Å)	y (Å)	z (Å)
C1	0.544	0.552	-0.133
H2	0.728	1.509	0.361
F3	1.522	-0.343	0.027
Cl4	-1.041	-0.102	0.011

	C1	H2	F3	Cl4
C1		1.0926	1.3357	1.7211
H2	1.0926		2.0435	2.4180
F3	1.3357	2.0435		2.5747
Cl4	1.7211	2.4180	2.5747

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	C1	F3	114.234		H2	C1	Cl4	116.712
F3	C1	Cl4	114.172

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

using model chemistry: wB97X-D/aug-cc-pVDZ

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	0.395
2	H	-0.085
3	F	-0.303
4	Cl	-0.007

	x	y	z	Total
	0.026	1.169	0.414	1.240
CHELPG
AIM
ESP

	x	y	z
x	5.282	0.405	-0.106
y	0.405	3.965	-0.023
z	-0.106	-0.023	3.417

<r²>	61.822
(<r²>)^1/2	7.863