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	hartrees
Energy at 0K	-152.506905
Energy at 298.15K
HF Energy	-152.506905
Nuclear repulsion energy	52.835658

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	3448	3103	10.43	93.30	0.22	0.36
2	A	1375	1237	58.46	4.88	0.69	0.82
3	A	1182	1064	224.41	6.39	0.52	0.69
4	A	884	796	18.43	4.27	0.71	0.83
5	A	770	693	79.55	26.05	0.27	0.42
6	A	394	355	5.05	5.59	0.62	0.77

Atom	x (Å)	y (Å)	z (Å)
C1	0.567	0.573	-0.132
H2	0.745	1.501	0.372
F3	1.560	-0.353	0.026
Cl4	-1.070	-0.104	0.011

	C1	H2	F3	Cl4
C1		1.0704	1.3668	1.7769
H2	1.0704		2.0537	2.4491
F3	1.3668	2.0537		2.6411
Cl4	1.7769	2.4491	2.6411

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	C1	F3	114.294		H2	C1	Cl4	116.455
F3	C1	Cl4	113.667

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

using model chemistry: HF/LANL2DZ

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	0.232
3	F	-0.310
4	Cl	-0.066

	x	y	z	Total
	0.173	2.146	0.332	2.178
CHELPG
AIM
ESP

	x	y	z
x	3.718	0.643	-0.100
y	0.643	1.866	0.049
z	-0.100	0.049	1.002

<r²>	52.701
(<r²>)^1/2	7.260