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	hartrees
Energy at 0K	-598.723185
Energy at 298.15K
HF Energy	-598.723185
Nuclear repulsion energy	93.809058

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	3188	3188	6.16	93.48	0.23	0.37
2	A	1310	1310	55.93	1.62	0.72	0.84
3	A	1196	1196	197.12	2.45	0.49	0.66
4	A	856	856	66.29	4.76	0.24	0.39
5	A	711	711	22.79	6.65	0.13	0.24
6	A	413	413	1.20	2.25	0.56	0.72

Atom	x (Å)	y (Å)	z (Å)
C1	0.541	0.542	-0.127
H2	0.721	1.502	0.341
F3	1.516	-0.338	0.026
Cl4	-1.036	-0.101	0.011

	C1	H2	F3	Cl4
C1		1.0826	1.3232	1.7081
H2	1.0826		2.0291	2.4008
F3	1.3232	2.0291		2.5632
Cl4	1.7081	2.4008	2.5632

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	C1	F3	114.642		H2	C1	Cl4	116.919
F3	C1	Cl4	114.876

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

using model chemistry: wB97X-D/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	0.137
2	H	0.053
3	F	-0.184
4	Cl	-0.006

	x	y	z	Total
	0.047	1.102	0.393	1.171
CHELPG
AIM
ESP

	x	y	z
x	5.018	0.450	-0.101
y	0.450	3.623	0.013
z	-0.101	0.013	3.001

<r²>	61.136
(<r²>)^1/2	7.819