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	hartrees
Energy at 0K	-697.616589
Energy at 298.15K	-697.617871
HF Energy	-697.616589
Nuclear repulsion energy	189.609929

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	875	828	124.86
2	A'	605	572	17.21
3	A'	370	350	20.80
4	A'	191	181	11.34
5	A"	725	686	577.42
6	A"	470	445	1.35

Atom	x (Å)	y (Å)	z (Å)
S1	-0.325	-0.207	0.000
F2	1.227	0.130	0.000
F3	-0.325	0.119	1.648
F4	-0.325	0.119	-1.648

	S1	F2	F3	F4
S1		1.5874	1.6797	1.6797
F2	1.5874		2.2631	2.2631
F3	1.6797	2.2631		3.2956
F4	1.6797	2.2631	3.2956

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
F2	S1	F3	87.640		F2	S1	F4	87.640
F3	S1	F4	157.628

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

using model chemistry: M06-2X/TZVP

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	0.917
2	F	-0.226
3	F	-0.346
4	F	-0.346

	x	y	z	Total
	-0.854	-0.788	0.000	1.162
CHELPG
AIM
ESP

	x	y	z
x	2.829	0.102	0.000
y	0.102	2.073	0.000
z	0.000	0.000	4.681

<r²>	85.184
(<r²>)^1/2	9.230

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

using model chemistry: M06-2X/TZVP

States and conformations

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