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	hartrees
Energy at 0K	-695.764384
Energy at 298.15K	-695.765750
HF Energy	-695.764384
Nuclear repulsion energy	191.207176

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	952	867	125.28
2	A'	643	585	16.98
3	A'	392	357	21.17
4	A'	185	168	10.10
5	A"	752	685	691.12
6	A"	492	448	1.38

Atom	x (Å)	y (Å)	z (Å)
S1	-0.318	-0.213	0.000
F2	1.203	0.180	0.000
F3	-0.318	0.099	1.639
F4	-0.318	0.099	-1.639

	S1	F2	F3	F4
S1		1.5713	1.6687	1.6687
F2	1.5713		2.2379	2.2379
F3	1.6687	2.2379		3.2784
F4	1.6687	2.2379	3.2784

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
F2	S1	F3	87.320		F2	S1	F4	87.320
F3	S1	F4	158.434

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

using model chemistry: HF/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	S	1.707
2	F	-0.543
3	F	-0.582
4	F	-0.582

	x	y	z	Total
	-0.737	-0.731	0.000	1.038
CHELPG
AIM
ESP

	x	y	z
x	3.279	0.076	0.000
y	0.076	2.756	0.000
z	0.000	0.000	4.684

<r²>	84.033
(<r²>)^1/2	9.167

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

using model chemistry: HF/aug-cc-pVDZ

States and conformations

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