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	hartrees
Energy at 0K	-597.418283
Energy at 298.15K
HF Energy	-597.418283
Nuclear repulsion energy	94.258478

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	3339	3033	8.11	86.65	0.21	0.34
2	A	1422	1291	68.73	1.40	0.45	0.62
3	A	1285	1168	210.11	2.27	0.72	0.84
4	A	924	840	37.46	2.95	0.22	0.36
5	A	826	750	52.79	10.80	0.13	0.23
6	A	437	397	2.02	1.73	0.45	0.62

Atom	x (Å)	y (Å)	z (Å)
C1	0.550	0.542	-0.132
H2	0.728	1.479	0.358
F3	1.502	-0.340	0.027
Cl4	-1.032	-0.098	0.011

	C1	H2	F3	Cl4
C1		1.0717	1.3078	1.7133
H2	1.0717		2.0042	2.3890
F3	1.3078	2.0042		2.5462
Cl4	1.7133	2.3890	2.5462

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	C1	F3	114.400		H2	C1	Cl4	116.238
F3	C1	Cl4	114.206

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

using model chemistry: HF/aug-cc-pVQZ

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	0.084
2	H	0.423
3	F	-0.481
4	Cl	-0.026

	x	y	z	Total
	0.121	1.349	0.307	1.389
CHELPG
AIM
ESP

	x	y	z
x	4.808	0.363	-0.067
y	0.363	3.784	0.008
z	-0.067	0.008	3.316

<r²>	60.833
(<r²>)^1/2	7.800