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	hartrees
Energy at 0K	-598.610463
Energy at 298.15K
HF Energy	-598.610463
Nuclear repulsion energy	92.407267

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	3103	3103	21.43	106.17	0.27	0.43
2	A	1287	1287	55.18	6.41	0.70	0.82
3	A	1157	1157	172.71	3.86	0.40	0.57
4	A	845	845	45.33	5.50	0.72	0.84
5	A	707	707	60.68	13.73	0.18	0.30
6	A	393	393	0.80	3.77	0.62	0.77

Atom	x (Å)	y (Å)	z (Å)
C1	0.553	0.553	-0.139
H2	0.718	1.500	0.381
F3	1.538	-0.342	0.029
Cl4	-1.052	-0.102	0.012

	C1	H2	F3	Cl4
C1		1.0933	1.3412	1.7401
H2	1.0933		2.0469	2.4159
F3	1.3412	2.0469		2.6010
Cl4	1.7401	2.4159	2.6010

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	C1	F3	114.064		H2	C1	Cl4	115.086
F3	C1	Cl4	114.532

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

using model chemistry: B97D3/6-31G**

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	0.053
2	H	0.149
3	F	-0.204
4	Cl	0.002

	x	y	z	Total
	0.248	1.048	0.446	1.166
CHELPG
AIM
ESP

	x	y	z
x	4.468	0.569	-0.092
y	0.569	2.780	0.103
z	-0.092	0.103	1.885

<r²>	62.303
(<r²>)^1/2	7.893