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	hartrees
Energy at 0K	-595.515621
Energy at 298.15K
HF Energy	-595.407200
Nuclear repulsion energy	91.813415

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	3228	3228	13.43	86.89	0.27	0.43
2	A	1353	1353	44.80	7.30	0.71	0.83
3	A	1175	1175	121.42	3.81	0.45	0.62
4	A	841	841	59.46	6.29	0.62	0.77
5	A	681	681	42.44	11.54	0.16	0.28
6	A	384	384	1.66	3.83	0.65	0.79

Atom	x (Å)	y (Å)	z (Å)
C1	0.538	0.558	-0.125
H2	0.687	1.524	0.338
F3	1.560	-0.339	0.026
Cl4	-1.056	-0.107	0.011

	C1	H2	F3	Cl4
C1		1.0814	1.3682	1.7327
H2	1.0814		2.0809	2.4095
F3	1.3682	2.0809		2.6271
Cl4	1.7327	2.4095	2.6271

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	C1	F3	115.813		H2	C1	Cl4	115.848
F3	C1	Cl4	115.318

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

using model chemistry: B2PLYP/3-21G*

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	0.029
2	H	0.229
3	F	-0.259
4	Cl	0.001

	x	y	z	Total
	0.030	1.302	0.458	1.381
CHELPG
AIM
ESP

	x	y	z
x	4.013	0.474	-0.049
y	0.474	2.432	0.096
z	-0.049	0.096	1.456

<r²>	63.331
(<r²>)^1/2	7.958