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	hartrees
Energy at 0K	-693.526314
Energy at 298.15K	-693.527006
HF Energy	-693.526314
Nuclear repulsion energy	176.638293

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	723	716	29.90
2	A'	511	506	3.95
3	A'	222	220	9.57
4	A'	135	134	6.57
5	A"	646	640	116.90
6	A"	308	305	1.82

Atom	x (Å)	y (Å)	z (Å)
S1	-0.354	-0.209	0.000
F2	1.336	0.098	0.000
F3	-0.354	0.137	1.760
F4	-0.354	0.137	-1.760

	S1	F2	F3	F4
S1		1.7176	1.7937	1.7937
F2	1.7176		2.4402	2.4402
F3	1.7937	2.4402		3.5199
F4	1.7937	2.4402	3.5199

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
F2	S1	F3	88.019		F2	S1	F4	88.019
F3	S1	F4	157.741

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

using model chemistry: PBEPBE/3-21G

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	0.833
2	F	-0.265
3	F	-0.284
4	F	-0.284

	x	y	z	Total
	-0.827	-0.657	0.000	1.057
CHELPG
AIM
ESP

	x	y	z
x	2.710	0.144	0.000
y	0.144	1.288	0.000
z	0.000	0.000	5.154

<r²>	94.499
(<r²>)^1/2	9.721

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

using model chemistry: PBEPBE/3-21G

States and conformations

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