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	hartrees
Energy at 0K	-697.789482
Energy at 298.15K	-697.790586
HF Energy	-697.789482
Nuclear repulsion energy	188.704340

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	834	806	105.52
2	A'	565	546	9.51
3	A'	345	334	12.66
4	A'	136	131	7.66
5	A"	697	674	486.16
6	A"	449	434	0.22

Atom	x (Å)	y (Å)	z (Å)
S1	-0.324	-0.176	0.000
F2	1.222	0.194	0.000
F3	-0.324	0.060	1.670
F4	-0.324	0.060	-1.670

	S1	F2	F3	F4
S1		1.5895	1.6871	1.6871
F2	1.5895		2.2800	2.2800
F3	1.6871	2.2800		3.3410
F4	1.6871	2.2800	3.3410

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
F2	S1	F3	88.133		F2	S1	F4	88.133
F3	S1	F4	163.907

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

using model chemistry: B3LYPultrafine/cc-pVTZ

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	0.808
2	F	-0.192
3	F	-0.308
4	F	-0.308

	x	y	z	Total
	-0.588	-0.516	0.000	0.782
CHELPG
AIM
ESP

	x	y	z
x	3.067	0.141	0.000
y	0.141	2.314	0.000
z	0.000	0.000	4.852

<r²>	85.738
(<r²>)^1/2	9.259

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

using model chemistry: B3LYPultrafine/cc-pVTZ

States and conformations

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