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	hartrees
Energy at 0K	-595.795600
Energy at 298.15K
HF Energy	-595.795600
Nuclear repulsion energy	92.319913

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	3227	3065	11.70	87.57	0.27	0.43
2	A	1343	1276	47.40	6.58	0.70	0.83
3	A	1196	1136	122.58	3.81	0.47	0.64
4	A	837	795	73.42	6.78	0.50	0.67
5	A	650	617	30.36	9.46	0.17	0.29
6	A	388	369	1.65	3.43	0.68	0.81

Atom	x (Å)	y (Å)	z (Å)
C1	0.533	0.552	-0.120
H2	0.685	1.528	0.321
F3	1.553	-0.337	0.025
Cl4	-1.051	-0.106	0.010

	C1	H2	F3	Cl4
C1		1.0824	1.3607	1.7199
H2	1.0824		2.0787	2.4043
F3	1.3607	2.0787		2.6144
Cl4	1.7199	2.4043	2.6144

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	C1	F3	116.142		H2	C1	Cl4	116.326
F3	C1	Cl4	115.646

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

using model chemistry: mPW1PW91/3-21G*

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	-0.022
2	H	0.253
3	F	-0.255
4	Cl	0.024

	x	y	z	Total
	-0.008	1.286	0.477	1.371
CHELPG
AIM
ESP

	x	y	z
x	3.984	0.482	-0.056
y	0.482	2.431	0.085
z	-0.056	0.085	1.472

<r²>	62.743
(<r²>)^1/2	7.921