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	hartrees
Energy at 0K	-597.322160
Energy at 298.15K
HF Energy	-597.322160
Nuclear repulsion energy	94.133704

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	3344	3028	14.45	84.39	0.25	0.40
2	A	1427	1292	90.51	2.25	0.75	0.85
3	A	1309	1185	172.71	2.79	0.60	0.75
4	A	936	848	28.44	3.49	0.62	0.77
5	A	828	750	65.70	12.01	0.17	0.29
6	A	434	393	1.88	2.08	0.54	0.70

Atom	x (Å)	y (Å)	z (Å)
C1	0.556	0.543	-0.134
H2	0.727	1.479	0.365
F3	1.503	-0.341	0.028
Cl4	-1.034	-0.098	0.011

	C1	H2	F3	Cl4
C1		1.0746	1.3051	1.7202
H2	1.0746		2.0065	2.3902
F3	1.3051	2.0065		2.5486
Cl4	1.7202	2.3902	2.5486

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	C1	F3	114.607		H2	C1	Cl4	115.627
F3	C1	Cl4	114.094

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

using model chemistry: HF/6-31G(2df,p)

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	0.120
2	H	0.179
3	F	-0.184
4	Cl	-0.115

	x	y	z	Total
	0.278	1.338	0.280	1.395
CHELPG
AIM
ESP

	x	y	z
x	4.180	0.453	-0.046
y	0.453	3.018	0.093
z	-0.046	0.093	2.370

<r²>	60.771
(<r²>)^1/2	7.796