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	hartrees
Energy at 0K	-688.344248
Energy at 298.15K	-688.345048
HF Energy	-688.344248
Nuclear repulsion energy	177.691586

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	795	726	7.88
2	A'	566	517	3.36
3	A'	300	274	4.58
4	A'	151	138	1.33
5	A"	726	663	47.10
6	A"	380	347	1.78

Atom	x (Å)	y (Å)	z (Å)
S1	-0.302	-0.371	0.000
F2	1.140	0.602	0.000
F3	-0.302	0.029	1.749
F4	-0.302	0.029	-1.749

	S1	F2	F3	F4
S1		1.7391	1.7940	1.7940
F2	1.7391		2.3380	2.3380
F3	1.7940	2.3380		3.4979
F4	1.7940	2.3380	3.4979

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
F2	S1	F3	82.851		F2	S1	F4	82.851
F3	S1	F4	154.282

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

using model chemistry: PBEPBE/STO-3G

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	0.383
2	F	-0.117
3	F	-0.133
4	F	-0.133

	x	y	z	Total
	-0.276	-0.395	0.000	0.482
CHELPG
AIM
ESP

	x	y	z
x	1.435	0.560	0.000
y	0.560	0.750	0.000
z	0.000	0.000	4.022

<r²>	89.962
(<r²>)^1/2	9.485

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

using model chemistry: PBEPBE/STO-3G

States and conformations

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