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	hartrees
Energy at 0K	-598.667710
Energy at 298.15K
HF Energy	-598.667710
Nuclear repulsion energy	93.651103

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	3212	3049	16.26	96.42	0.27	0.43
2	A	1340	1273	89.66	5.04	0.68	0.81
3	A	1229	1167	156.45	4.05	0.50	0.66
4	A	877	833	62.30	6.33	0.55	0.71
5	A	752	714	38.25	9.86	0.18	0.30
6	A	409	388	1.34	3.00	0.67	0.80

Atom	x (Å)	y (Å)	z (Å)
C1	0.544	0.546	-0.134
H2	0.718	1.496	0.363
F3	1.516	-0.340	0.028
Cl4	-1.037	-0.101	0.011

	C1	H2	F3	Cl4
C1		1.0858	1.3254	1.7139
H2	1.0858		2.0293	2.3986
F3	1.3254	2.0293		2.5641
Cl4	1.7139	2.3986	2.5641

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	C1	F3	114.256		H2	C1	Cl4	116.089
F3	C1	Cl4	114.447

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

using model chemistry: B1B95/6-31G*

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	0.013
2	H	0.197
3	F	-0.220
4	Cl	0.009

	x	y	z	Total
	0.174	1.112	0.438	1.207
CHELPG
AIM
ESP

	x	y	z
x	4.208	0.544	-0.086
y	0.544	2.683	0.096
z	-0.086	0.096	1.838

<r²>	61.038
(<r²>)^1/2	7.813