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	hartrees
Energy at 0K	-591.400912
Energy at 298.15K
HF Energy	-591.400912
Nuclear repulsion energy	88.944522

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	3198	2922	2.29	42.64	0.34	0.51
2	A	1373	1255	87.71	2.63	0.26	0.41
3	A	1246	1138	16.99	6.01	0.69	0.82
4	A	867	793	27.17	4.12	0.74	0.85
5	A	735	671	45.49	11.46	0.19	0.32
6	A	377	344	2.09	2.83	0.66	0.79

Atom	x (Å)	y (Å)	z (Å)
C1	0.611	0.566	-0.158
H2	0.727	1.511	0.440
F3	1.592	-0.354	0.034
Cl4	-1.101	-0.101	0.012

	C1	H2	F3	Cl4
C1		1.1249	1.3582	1.8455
H2	1.1249		2.0958	2.4747
F3	1.3582	2.0958		2.7052
Cl4	1.8455	2.4747	2.7052

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	C1	F3	114.812		H2	C1	Cl4	110.484
F3	C1	Cl4	114.355

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

using model chemistry: PBEPBE/STO-3G

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	0.028
2	H	0.101
3	F	0.017
4	Cl	-0.146

	x	y	z	Total
	1.754	0.669	0.490	1.940
CHELPG
AIM
ESP

	x	y	z
x	2.894	0.347	-0.001
y	0.347	1.229	0.052
z	-0.001	0.052	0.501

<r²>	65.262
(<r²>)^1/2	8.079