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	hartrees
Energy at 0K	-598.726099
Energy at 298.15K
HF Energy	-598.726099
Nuclear repulsion energy	93.015959

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	3101	3101	8.43	108.35	0.23	0.37
2	A	1264	1264	33.55	2.05	0.60	0.75
3	A	1114	1114	210.28	2.83	0.63	0.77
4	A	826	826	64.15	4.97	0.13	0.23
5	A	682	682	27.94	8.70	0.11	0.20
6	A	398	398	0.67	2.40	0.48	0.65

Atom	x (Å)	y (Å)	z (Å)
C1	0.539	0.547	-0.132
H2	0.717	1.504	0.355
F3	1.533	-0.338	0.027
Cl4	-1.044	-0.103	0.011

	C1	H2	F3	Cl4
C1		1.0880	1.3405	1.7176
H2	1.0880		2.0418	2.4083
F3	1.3405	2.0418		2.5878
Cl4	1.7176	2.4083	2.5878

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	C1	F3	114.040		H2	C1	Cl4	116.473
F3	C1	Cl4	115.046

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

using model chemistry: B97D3/aug-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	-0.146
2	H	0.405
3	F	-0.363
4	Cl	0.104

	x	y	z	Total
	-0.032	1.034	0.401	1.109
CHELPG
AIM
ESP

	x	y	z
x	5.717	0.430	-0.126
y	0.430	4.292	-0.024
z	-0.126	-0.024	3.721

<r²>	62.050
(<r²>)^1/2	7.877