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	hartrees
Energy at 0K	-697.326832
Energy at 298.15K	-697.327709
HF Energy	-697.326832
Nuclear repulsion energy	183.418878

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	763	755	101.11
2	A'	518	512	9.02
3	A'	298	294	11.85
4	A'	110	109	10.01
5	A"	649	641	424.78
6	A"	400	395	0.07

Atom	x (Å)	y (Å)	z (Å)
S1	-0.337	-0.145	0.000
F2	1.273	0.119	0.000
F3	-0.337	0.069	1.721
F4	-0.337	0.069	-1.721

	S1	F2	F3	F4
S1		1.6317	1.7339	1.7339
F2	1.6317		2.3572	2.3572
F3	1.7339	2.3572		3.4414
F4	1.7339	2.3572	3.4414

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
F2	S1	F3	88.861		F2	S1	F4	88.861
F3	S1	F4	165.842

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

using model chemistry: PBEPBE/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	0.791
2	F	-0.188
3	F	-0.301
4	F	-0.301

	x	y	z	Total
	-0.764	-0.513	0.000	0.920
CHELPG
AIM
ESP

	x	y	z
x	3.166	0.138	0.000
y	0.138	2.060	0.000
z	0.000	0.000	5.613

<r²>	90.343
(<r²>)^1/2	9.505

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

using model chemistry: PBEPBE/TZVP

States and conformations

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