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	hartrees
Energy at 0K	-697.053265
Energy at 298.15K	-697.053883
HF Energy	-697.053265
Nuclear repulsion energy	172.666630

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	701	692	39.72
2	A'	507	500	6.03
3	A'	200	198	12.18
4	A'	130	128	10.57
5	A"	655	646	150.67
6	A"	291	287	1.67

Atom	x (Å)	y (Å)	z (Å)
S1	-0.365	-0.196	0.000
F2	1.378	0.022	0.000
F3	-0.365	0.163	1.797
F4	-0.365	0.163	-1.797

	S1	F2	F3	F4
S1		1.7568	1.8323	1.8323
F2	1.7568		2.5074	2.5074
F3	1.8323	2.5074		3.5938
F4	1.8323	2.5074	3.5938

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
F2	S1	F3	88.607		F2	S1	F4	88.607
F3	S1	F4	157.419

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

using model chemistry: PBEPBE/6-31G

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	0.937
2	F	-0.288
3	F	-0.324
4	F	-0.324

	x	y	z	Total
	-1.177	-0.841	0.000	1.447
CHELPG
AIM
ESP

	x	y	z
x	3.136	0.076	0.000
y	0.076	1.543	0.000
z	0.000	0.000	5.917

<r²>	98.753
(<r²>)^1/2	9.937

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

using model chemistry: PBEPBE/6-31G

States and conformations

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