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	hartrees
Energy at 0K	-598.725200
Energy at 298.15K
HF Energy	-598.725200
Nuclear repulsion energy	92.508767

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	3077	3060	5.19	99.88	0.25	0.40
2	A	1248	1241	28.46	1.94	0.66	0.79
3	A	1085	1079	205.84	3.25	0.56	0.72
4	A	812	808	65.37	4.12	0.17	0.29
5	A	670	666	29.22	9.85	0.12	0.22
6	A	390	388	0.67	2.56	0.51	0.67

Atom	x (Å)	y (Å)	z (Å)
C1	0.542	0.553	-0.132
H2	0.725	1.509	0.358
F3	1.540	-0.342	0.027
Cl4	-1.049	-0.103	0.011

	C1	H2	F3	Cl4
C1		1.0898	1.3498	1.7273
H2	1.0898		2.0494	2.4221
F3	1.3498	2.0494		2.6001
Cl4	1.7273	2.4221	2.6001

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	C1	F3	113.873		H2	C1	Cl4	116.767
F3	C1	Cl4	114.786

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

using model chemistry: BLYP/6-311+G(3df,2p)

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	0.111
2	H	0.200
3	F	-0.182
4	Cl	-0.130

	x	y	z	Total
	-0.128	1.041	0.432	1.134
CHELPG
AIM
ESP

	x	y	z
x	5.757	0.435	-0.141
y	0.435	4.193	-0.043
z	-0.141	-0.043	3.607

<r²>	62.786
(<r²>)^1/2	7.924