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	hartrees
Energy at 0K	-78.068733
Energy at 298.15K	-78.069465
HF Energy	-78.068733
Nuclear repulsion energy	66.325013

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	950	920	41.16
2	A₁	617	598	21.74
3	E	1147	1111	318.05
3	E	1147	1111	318.07
4	E	443	429	3.73
4	E	443	429	3.74

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.355
F2	0.000	1.315	-0.068
F3	1.139	-0.658	-0.068
F4	-1.139	-0.658	-0.068

	C1	F2	F3	F4
C1		1.3814	1.3814	1.3814
F2	1.3814		2.2781	2.2781
F3	1.3814	2.2781		2.2781
F4	1.3814	2.2781	2.2781

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
F2	C1	F3	111.096		F2	C1	F4	111.096
F3	C1	F4	111.096

All results from a given calculation for CF₃ (Trifluoromethyl radical)

using model chemistry: B3LYP/CEP-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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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	0.308
2	F	-0.103
3	F	-0.103
4	F	-0.103

	x	y	z	Total
	0.000	0.000	0.499	0.499
CHELPG
AIM
ESP

	x	y	z
x	2.174	0.000	0.000
y	0.000	2.174	-0.000
z	0.000	-0.000	1.328

<r²>	50.293
(<r²>)^1/2	7.092

All results from a given calculation for CF3 (Trifluoromethyl radical)

using model chemistry: B3LYP/CEP-31G

States and conformations

All results from a given calculation for CF₃ (Trifluoromethyl radical)