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	hartrees
Energy at 0K	-597.231744
Energy at 298.15K
HF Energy	-597.231744
Nuclear repulsion energy	91.015306

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3429	3070	7.32
2	A	1398	1252	64.35
3	A	1216	1089	182.00
4	A	929	832	12.07
5	A	774	693	94.85
6	A	399	357	4.26

Atom	x (Å)	y (Å)	z (Å)
C1	0.574	0.574	-0.136
H2	0.746	1.492	0.384
F3	1.554	-0.354	0.027
Cl4	-1.069	-0.103	0.011

	C1	H2	F3	Cl4
C1		1.0686	1.3597	1.7822
H2	1.0686		2.0465	2.4442
F3	1.3597	2.0465		2.6343
Cl4	1.7822	2.4442	2.6343

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	C1	F3	114.334		H2	C1	Cl4	115.766
F3	C1	Cl4	113.271

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

using model chemistry: ROHF/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	0.144
2	H	0.218
3	F	-0.389
4	Cl	0.027

	x	y	z	Total
	0.171	2.071	0.314	2.102
CHELPG
AIM
ESP

	x	y	z
x	0.000	0.000	0.000
y	0.000	0.000	0.000
z	0.000	0.000	0.000

<r²>	64.491
(<r²>)^1/2	8.031