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	hartrees
Energy at 0K	-45.246639
Energy at 298.15K
HF Energy	-45.246639
Nuclear repulsion energy	33.612945

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	3190	3089	19.05	108.69	0.27	0.42
2	A	1252	1213	41.25	4.75	0.73	0.85
3	A	1071	1037	205.84	6.19	0.46	0.63
4	A	806	781	49.12	4.59	0.69	0.81
5	A	698	676	53.39	22.18	0.22	0.36
6	A	363	351	2.42	6.72	0.66	0.79

Atom	x (Å)	y (Å)	z (Å)
C1	0.576	0.581	-0.139
H2	0.760	1.525	0.390
F3	1.594	-0.357	0.028
Cl4	-1.092	-0.105	0.011

	C1	H2	F3	Cl4
C1		1.0979	1.3938	1.8102
H2	1.0979		2.0905	2.4963
F3	1.3938	2.0905		2.6973
Cl4	1.8102	2.4963	2.6973

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	C1	F3	113.537		H2	C1	Cl4	116.115
F3	C1	Cl4	114.047

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

using model chemistry: B3LYP/CEP-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	-0.077
2	H	0.225
3	F	-0.159
4	Cl	0.011

	x	y	z	Total
	-0.023	1.741	0.644	1.857
CHELPG
AIM
ESP

	x	y	z
x	4.613	0.764	-0.162
y	0.764	2.173	-0.041
z	-0.162	-0.041	1.210

<r²>	47.446
(<r²>)^1/2	6.888