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	hartrees
Energy at 0K	-44.493908
Energy at 298.15K
HF Energy	-44.493908
Nuclear repulsion energy	34.190003

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	3436	3097	19.74	106.23	0.25	0.40
2	A	1375	1239	67.65	4.21	0.73	0.84
3	A	1181	1064	226.05	8.18	0.61	0.76
4	A	887	799	23.80	4.22	0.67	0.80
5	A	801	722	69.06	30.03	0.27	0.42
6	A	396	357	5.96	6.03	0.64	0.78

Atom	x (Å)	y (Å)	z (Å)
C1	0.569	0.575	-0.135
H2	0.754	1.505	0.379
F3	1.563	-0.354	0.027
Cl4	-1.073	-0.104	0.011

	C1	H2	F3	Cl4
C1		1.0783	1.3703	1.7821
H2	1.0783		2.0578	2.4613
F3	1.3703	2.0578		2.6474
Cl4	1.7821	2.4613	2.6474

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	C1	F3	113.839		H2	C1	Cl4	116.576
F3	C1	Cl4	113.604

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

using model chemistry: HF/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	0.088
2	H	0.202
3	F	-0.257
4	Cl	-0.033

	x	y	z	Total
	0.107	2.147	0.409	2.188
CHELPG
AIM
ESP

	x	y	z
x	4.002	0.739	-0.124
y	0.739	1.929	0.005
z	-0.124	0.005	1.054

<r²>	46.521
(<r²>)^1/2	6.821