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	hartrees
Energy at 0K	-591.787344
Energy at 298.15K
HF Energy	-591.787344
Nuclear repulsion energy	90.069810

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	3337	2947	1.00	40.23	0.34	0.51
2	A	1439	1271	104.39	2.10	0.27	0.42
3	A	1289	1138	17.92	6.10	0.71	0.83
4	A	885	781	34.28	5.06	0.63	0.77
5	A	773	682	40.85	9.36	0.18	0.31
6	A	392	346	2.57	2.55	0.67	0.81

Atom	x (Å)	y (Å)	z (Å)
C1	0.599	0.558	-0.150
H2	0.722	1.512	0.411
F3	1.573	-0.350	0.032
Cl4	-1.087	-0.101	0.012

	C1	H2	F3	Cl4
C1		1.1138	1.3437	1.8173
H2	1.1138		2.0823	2.4565
F3	1.3437	2.0823		2.6718
Cl4	1.8173	2.4565	2.6718

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	C1	F3	115.525		H2	C1	Cl4	111.612
F3	C1	Cl4	114.565

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

using model chemistry: B1B95/STO-3G

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	0.062
2	H	0.105
3	F	-0.019
4	Cl	-0.148

	x	y	z	Total
	1.627	0.846	0.425	1.883
CHELPG
AIM
ESP

	x	y	z
x	2.697	0.330	0.017
y	0.330	1.188	0.058
z	0.017	0.058	0.466

<r²>	64.058
(<r²>)^1/2	8.004