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	hartrees
Energy at 0K	-44.565910
Energy at 298.15K
HF Energy	-44.565910
Nuclear repulsion energy	35.146061

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	3412	3064	30.62	95.55	0.27	0.42
2	A	1421	1276	104.18	2.62	0.70	0.82
3	A	1285	1154	230.12	4.55	0.65	0.79
4	A	953	856	19.46	2.28	0.75	0.86
5	A	863	775	85.65	16.80	0.28	0.44
6	A	429	385	2.84	3.38	0.64	0.78

Atom	x (Å)	y (Å)	z (Å)
C1	0.556	0.553	-0.140
H2	0.733	1.480	0.387
F3	1.517	-0.344	0.029
Cl4	-1.042	-0.100	0.012

	C1	H2	F3	Cl4
C1		1.0812	1.3252	1.7336
H2	1.0812		2.0178	2.4066
F3	1.3252	2.0178		2.5709
Cl4	1.7336	2.4066	2.5709

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	C1	F3	113.582		H2	C1	Cl4	115.559
F3	C1	Cl4	113.717

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	0.101
2	H	0.193
3	F	-0.193
4	Cl	-0.101

	x	y	z	Total
	0.165	1.535	0.408	1.597
CHELPG
AIM
ESP

	x	y	z
x	3.945	0.623	-0.118
y	0.623	2.407	0.008
z	-0.118	0.008	1.687

<r²>	44.288
(<r²>)^1/2	6.655