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	hartrees
Energy at 0K	-598.410643
Energy at 298.15K
HF Energy	-598.410643
Nuclear repulsion energy	92.530307

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	3089	3054	9.89	106.59	0.27	0.43
2	A	1256	1242	41.48	4.89	0.73	0.84
3	A	1126	1113	214.08	3.54	0.39	0.56
4	A	823	814	69.03	4.34	0.49	0.66
5	A	697	690	34.40	11.07	0.17	0.30
6	A	396	391	0.80	4.00	0.65	0.79

Atom	x (Å)	y (Å)	z (Å)
C1	0.547	0.550	-0.134
H2	0.724	1.508	0.363
F3	1.538	-0.341	0.028
Cl4	-1.050	-0.102	0.011

	C1	H2	F3	Cl4
C1		1.0937	1.3427	1.7320
H2	1.0937		2.0485	2.4223
F3	1.3427	2.0485		2.5998
Cl4	1.7320	2.4223	2.5998

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	C1	F3	114.056		H2	C1	Cl4	116.181
F3	C1	Cl4	114.876

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

using model chemistry: PBEPBE/TZVP

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	-0.000
2	H	0.146
3	F	-0.125
4	Cl	-0.021

	x	y	z	Total
	-0.074	1.075	0.508	1.191
CHELPG
AIM
ESP

	x	y	z
x	4.820	0.562	-0.134
y	0.562	3.114	0.011
z	-0.134	0.011	2.361

<r²>	62.628
(<r²>)^1/2	7.914