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	hartrees
Energy at 0K	-598.392017
Energy at 298.15K
HF Energy	-598.392017
Nuclear repulsion energy	92.628428

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	3083	3051	17.41	105.69	0.29	0.45
2	A	1273	1260	48.01	5.49	0.74	0.85
3	A	1135	1124	199.46	3.41	0.44	0.61
4	A	836	827	60.81	4.31	0.64	0.78
5	A	709	702	46.40	12.77	0.19	0.33
6	A	396	392	0.73	4.18	0.66	0.79

Atom	x (Å)	y (Å)	z (Å)
C1	0.549	0.551	-0.139
H2	0.723	1.501	0.378
F3	1.535	-0.342	0.028
Cl4	-1.049	-0.102	0.012

	C1	H2	F3	Cl4
C1		1.0951	1.3406	1.7325
H2	1.0951		2.0437	2.4175
F3	1.3406	2.0437		2.5943
Cl4	1.7325	2.4175	2.5943

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	C1	F3	113.701		H2	C1	Cl4	115.663
F3	C1	Cl4	114.569

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

using model chemistry: PBEPBEultrafine/6-311G*

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	-0.094
2	H	0.244
3	F	-0.136
4	Cl	-0.014

	x	y	z	Total
	0.147	1.088	0.508	1.209
CHELPG
AIM
ESP

	x	y	z
x	4.699	0.669	-0.157
y	0.669	2.741	0.054
z	-0.157	0.054	1.894

<r²>	62.501
(<r²>)^1/2	7.906