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	hartrees
Energy at 0K	-1056.350773
Energy at 298.15K
HF Energy	-1056.350773
Nuclear repulsion energy	201.110760

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1311	1311	246.39
2	A'	683	683	12.81
3	A'	504	504	1.62
4	A'	302	302	0.04
5	A"	1003	1003	289.85
6	A"	415	415	1.18

Atom	x (Å)	y (Å)	z (Å)
C1	0.157	0.442	0.000
F2	-0.699	1.419	0.000
Cl3	0.157	-0.454	1.465
Cl4	0.157	-0.454	-1.465

	C1	F2	Cl3	Cl4
C1		1.2986	1.7176	1.7176
F2	1.2986		2.5272	2.5272
Cl3	1.7176	2.5272		2.9308
Cl4	1.7176	2.5272	2.9308

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
F2	C1	Cl3	113.096		F2	C1	Cl4	113.096
Cl3	C1	Cl4	117.114

All results from a given calculation for CFCl₂ (dichlorofluoromethyl radical)

using model chemistry: ROHF/aug-cc-pVQZ

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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Calc. vs exp. Bad Vib. HF vs MP2 Bad scale factors Low excited states Oddities NaCN Is not linear FAQ Help Units Choose Units Energy Bond length Rotational Constant Moment of Inertia Dipole and Quadrupole Polarizability Explanations Hartree cm-1 Debye Credits Just show me Show me a calculated geometry Summary Using older interface Limit Basis sets Method options List Recent molecules Choose a few Molecules Number of atoms By heavy atoms Diatomics InChI Deuterated Dimers Geometry Point group Point group count Bonds types Isodesmic reactions Bad point group Multiple conformers, states Vibrations Big anharmonicity Energy Enthalpy at 0 Kelvin Similar molecules Similar Isomers Cis/trans Tautomers Multiple conformers, states Ions, Dipoles, etc. List Ions Ionization changes point group Dipole Quadrupole Polarizability Proton Affinities Index of CCCBDB Feedback Error form Wants
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Number	Element	Mulliken
1	C	0.388
2	F	-0.428
3	Cl	0.020
4	Cl	0.020

	x	y	z	Total
	0.324	-0.229	0.000	0.397
CHELPG
AIM
ESP

<r²>	126.840
(<r²>)^1/2	11.262

All results from a given calculation for CFCl2 (dichlorofluoromethyl radical)

using model chemistry: ROHF/aug-cc-pVQZ

States and conformations

All results from a given calculation for CFCl₂ (dichlorofluoromethyl radical)