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	hartrees
Energy at 0K	-598.677979
Energy at 298.15K
HF Energy	-598.677979
Nuclear repulsion energy	91.650234

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	3073	3068	6.17	114.10	0.24	0.39
2	A	1220	1218	27.36	1.96	0.64	0.78
3	A	1064	1062	209.34	3.78	0.55	0.71
4	A	809	807	60.97	4.03	0.22	0.36
5	A	689	688	36.01	12.82	0.13	0.24
6	A	381	380	0.61	2.75	0.51	0.67

Atom	x (Å)	y (Å)	z (Å)
C1	0.551	0.563	-0.139
H2	0.733	1.516	0.382
F3	1.549	-0.347	0.028
Cl4	-1.058	-0.104	0.012

	C1	H2	F3	Cl4
C1		1.1009	1.3618	1.7483
H2	1.1009		2.0648	2.4428
F3	1.3618	2.0648		2.6185
Cl4	1.7483	2.4428	2.6185

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	C1	F3	113.527		H2	C1	Cl4	116.187
F3	C1	Cl4	114.119

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

using model chemistry: BLYP/aug-cc-pVDZ

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	0.496
2	H	-0.254
3	F	-0.270
4	Cl	0.028

	x	y	z	Total
	-0.068	1.078	0.444	1.168
CHELPG
AIM
ESP

	x	y	z
x	5.838	0.462	-0.139
y	0.462	4.237	-0.026
z	-0.139	-0.026	3.597

<r²>	63.621
(<r²>)^1/2	7.976