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	hartrees
Energy at 0K	-697.721517
Energy at 298.15K	-697.722557
HF Energy	-697.721517
Nuclear repulsion energy	186.352150

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	789	763	99.77
2	A'	544	526	10.82
3	A'	327	317	16.36
4	A'	153	148	11.70
5	A"	665	643	404.29
6	A"	420	406	0.85

Atom	x (Å)	y (Å)	z (Å)
S1	-0.332	-0.175	0.000
F2	1.256	0.093	0.000
F3	-0.332	0.109	1.684
F4	-0.332	0.109	-1.684

	S1	F2	F3	F4
S1		1.6104	1.7073	1.7073
F2	1.6104		2.3145	2.3145
F3	1.7073	2.3145		3.3673
F4	1.7073	2.3145	3.3673

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
F2	S1	F3	88.421		F2	S1	F4	88.421
F3	S1	F4	160.915

All results from a given calculation for SF₃ (Sulfur trifluoride)

using model chemistry: B3LYP/6-311G**

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	S	1.016
2	F	-0.280
3	F	-0.368
4	F	-0.368

	x	y	z	Total
	-0.897	-0.690	0.000	1.132
CHELPG
AIM
ESP

	x	y	z
x	2.728	0.074	0.000
y	0.074	1.846	0.000
z	0.000	0.000	4.701

<r²>	87.650
(<r²>)^1/2	9.362

All results from a given calculation for SF3 (Sulfur trifluoride)

using model chemistry: B3LYP/6-311G**

States and conformations

All results from a given calculation for SF₃ (Sulfur trifluoride)