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	hartrees
Energy at 0K	-693.590922
Energy at 298.15K	-693.591909
HF Energy	-693.590922
Nuclear repulsion energy	181.346342

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	801	772	36.46
2	A'	574	553	7.91
3	A'	265	255	16.41
4	A'	206	198	9.64
5	A"	677	653	131.25
6	A"	340	328	3.82

Atom	x (Å)	y (Å)	z (Å)
S1	-0.346	-0.259	0.000
F2	1.307	0.037	0.000
F3	-0.346	0.212	1.686
F4	-0.346	0.212	-1.686

	S1	F2	F3	F4
S1		1.6799	1.7504	1.7504
F2	1.6799		2.3678	2.3678
F3	1.7504	2.3678		3.3714
F4	1.7504	2.3678	3.3714

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
F2	S1	F3	87.275		F2	S1	F4	87.275
F3	S1	F4	148.741

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

using model chemistry: HSEh1PBE/3-21G

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	1.007
2	F	-0.322
3	F	-0.342
4	F	-0.342

	x	y	z	Total
	-1.059	-0.981	0.000	1.444
CHELPG
AIM
ESP

	x	y	z
x	2.499	0.072	0.000
y	0.072	1.321	0.000
z	0.000	0.000	4.617

<r²>	89.910
(<r²>)^1/2	9.482

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

using model chemistry: HSEh1PBE/3-21G

States and conformations

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