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	hartrees
Energy at 0K	-697.204684
Energy at 298.15K	-697.205842
HF Energy	-697.204684
Nuclear repulsion energy	188.471543

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	848	810	114.71
2	A'	584	558	13.20
3	A'	346	330	15.50
4	A'	164	157	9.52
5	A"	720	688	535.79
6	A"	442	422	1.02

Atom	x (Å)	y (Å)	z (Å)
S1	-0.327	-0.192	0.000
F2	1.234	0.159	0.000
F3	-0.327	0.092	1.663
F4	-0.327	0.092	-1.663

	S1	F2	F3	F4
S1		1.5994	1.6867	1.6867
F2	1.5994		2.2812	2.2812
F3	1.6867	2.2812		3.3252
F4	1.6867	2.2812	3.3252

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
F2	S1	F3	87.883		F2	S1	F4	87.883
F3	S1	F4	160.613

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

using model chemistry: PBE1PBE/6-31+G**

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	1.076
2	F	-0.301
3	F	-0.388
4	F	-0.388

	x	y	z	Total
	-0.740	-0.683	0.000	1.007
CHELPG
AIM
ESP

	x	y	z
x	3.307	0.094	0.000
y	0.094	2.621	0.000
z	0.000	0.000	5.307

<r²>	86.017
(<r²>)^1/2	9.275

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

using model chemistry: PBE1PBE/6-31+G**

States and conformations

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