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	hartrees
Energy at 0K	-590.544958
Energy at 298.15K
HF Energy	-590.544958
Nuclear repulsion energy	90.886574

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	3621	2956	1.60	38.49	0.33	0.49
2	A	1537	1255	111.58	1.55	0.66	0.80
3	A	1361	1111	19.87	6.53	0.75	0.85
4	A	941	768	45.90	10.49	0.39	0.56
5	A	861	703	24.85	7.29	0.24	0.39
6	A	415	339	5.36	2.32	0.67	0.80

Atom	x (Å)	y (Å)	z (Å)
C1	0.586	0.556	-0.137
H2	0.720	1.520	0.372
F3	1.560	-0.349	0.029
Cl4	-1.075	-0.101	0.011

	C1	H2	F3	Cl4
C1		1.0986	1.3397	1.7925
H2	1.0986		2.0774	2.4460
F3	1.3397	2.0774		2.6472
Cl4	1.7925	2.4460	2.6472

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	C1	F3	116.505		H2	C1	Cl4	113.376
F3	C1	Cl4	114.608

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

using model chemistry: HF/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	0.157
2	H	0.099
3	F	-0.098
4	Cl	-0.158

	x	y	z	Total
	1.354	1.279	0.178	1.871
CHELPG
AIM
ESP

	x	y	z
x	2.355	0.361	0.023
y	0.361	1.096	0.085
z	0.023	0.085	0.392

<r²>	63.305
(<r²>)^1/2	7.956