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	hartrees
Energy at 0K	-588.753627
Energy at 298.15K	-588.754358
HF Energy	-588.753627
Nuclear repulsion energy	169.648150

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	739	735	61.40
2	A₁	345	343	42.55
3	E	859	854	171.48
3	E	859	854	171.47
4	E	239	238	8.62
4	E	239	238	8.62

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	0.393
F2	0.000	1.537	-0.204
F3	1.331	-0.768	-0.204
F4	-1.331	-0.768	-0.204

	Si1	F2	F3	F4
Si1		1.6485	1.6485	1.6485
F2	1.6485		2.6618	2.6618
F3	1.6485	2.6618		2.6618
F4	1.6485	2.6618	2.6618

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
F2	Si1	F3	107.673		F2	Si1	F4	107.673
F3	Si1	F4	107.673

All results from a given calculation for SiF₃ (Silicon trifluoride radical)

using model chemistry: PBEPBEultrafine/aug-cc-pVDZ

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	Si	1.396
2	F	-0.465
3	F	-0.465
4	F	-0.465

	x	y	z	Total
	0.000	0.000	1.387	1.387
CHELPG
AIM
ESP

	x	y	z
x	4.494	0.000	0.000
y	0.000	4.495	-0.000
z	0.000	-0.000	3.804

<r²>	84.700
(<r²>)^1/2	9.203

All results from a given calculation for SiF3 (Silicon trifluoride radical)

using model chemistry: PBEPBEultrafine/aug-cc-pVDZ

States and conformations

All results from a given calculation for SiF₃ (Silicon trifluoride radical)