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	hartrees
Energy at 0K	-595.823817
Energy at 298.15K
HF Energy	-595.823817
Nuclear repulsion energy	92.477225

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	3224	3085	11.63	87.20	0.28	0.43
2	A	1341	1283	48.43	6.55	0.70	0.82
3	A	1196	1144	123.37	3.96	0.46	0.63
4	A	840	803	74.89	6.98	0.50	0.66
5	A	650	622	31.01	9.46	0.17	0.29
6	A	387	370	1.67	3.39	0.69	0.81

Atom	x (Å)	y (Å)	z (Å)
C1	0.531	0.552	-0.121
H2	0.685	1.526	0.324
F3	1.550	-0.337	0.025
Cl4	-1.048	-0.106	0.010

	C1	H2	F3	Cl4
C1		1.0815	1.3596	1.7165
H2	1.0815		2.0754	2.4017
F3	1.3596	2.0754		2.6084
Cl4	1.7165	2.4017	2.6084

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	C1	F3	115.994		H2	C1	Cl4	116.416
F3	C1	Cl4	115.490

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

using model chemistry: B1B95/3-21G

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	-0.020
2	H	0.248
3	F	-0.254
4	Cl	0.026

	x	y	z	Total
	-0.037	1.257	0.495	1.352
CHELPG
AIM
ESP

	x	y	z
x	4.006	0.485	-0.055
y	0.485	2.439	0.089
z	-0.055	0.089	1.474

<r²>	62.508
(<r²>)^1/2	7.906