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	hartrees
Energy at 0K	-597.337190
Energy at 298.15K
HF Energy	-597.337190
Nuclear repulsion energy	93.657665

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	3364	3055	12.57	97.26	0.24	0.39
2	A	1403	1274	89.35	2.75	0.75	0.85
3	A	1278	1160	214.75	3.33	0.64	0.78
4	A	923	838	28.26	3.94	0.69	0.82
5	A	835	758	72.86	13.40	0.22	0.36
6	A	431	392	2.49	2.86	0.61	0.76

Atom	x (Å)	y (Å)	z (Å)
C1	0.555	0.548	-0.136
H2	0.729	1.486	0.373
F3	1.510	-0.343	0.028
Cl4	-1.038	-0.099	0.011

	C1	H2	F3	Cl4
C1		1.0818	1.3164	1.7255
H2	1.0818		2.0182	2.4017
F3	1.3164	2.0182		2.5598
Cl4	1.7255	2.4017	2.5598

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	C1	F3	114.256		H2	C1	Cl4	115.731
F3	C1	Cl4	113.921

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

using model chemistry: HF/cc-pVDZ

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	0.262
2	H	0.089
3	F	-0.241
4	Cl	-0.109

	x	y	z	Total
	0.166	1.478	0.293	1.516
CHELPG
AIM
ESP

	x	y	z
x	3.848	0.547	-0.078
y	0.547	2.458	0.098
z	-0.078	0.098	1.737

<r²>	61.317
(<r²>)^1/2	7.831