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	hartrees
Energy at 0K	-897.276384
Energy at 298.15K	-897.279341
HF Energy	-897.276384
Nuclear repulsion energy	402.579488

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	861	835	142.77
2	A₁	608	590	4.77
3	A₁	474	460	30.36
4	B₁	402	390	0.00
5	B₂	582	564	0.00
6	B₂	207	200	0.00
7	E	816	792	402.84
7	E	816	792	402.84
8	E	455	441	2.22
8	E	455	441	2.22
9	E	314	304	0.04
9	E	314	304	0.04

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.206
F2	0.000	0.000	-1.393
F3	0.000	1.664	0.257
F4	-1.664	0.000	0.257
F5	0.000	-1.664	0.257
F6	1.664	0.000	0.257

	S1	F2	F3	F4	F5	F6
S1		1.5987	1.6646	1.6646	1.6646	1.6646
F2	1.5987		2.3432	2.3432	2.3432	2.3432
F3	1.6646	2.3432		2.3530	3.3276	2.3530
F4	1.6646	2.3432	2.3530		2.3530	3.3276
F5	1.6646	2.3432	3.3276	2.3530		2.3530
F6	1.6646	2.3432	2.3530	3.3276	2.3530

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	S1	F3	91.763	F2	S1	F4	91.763
F2	S1	F5	91.763	F2	S1	F6	91.763
F3	S1	F4	89.946	F3	S1	F5	176.474
F3	S1	F6	89.946	F4	S1	F5	89.946
F4	S1	F6	176.474	F5	S1	F6	89.946

All results from a given calculation for SF₅ (Sulfur pentafluoride)

using model chemistry: B3LYP/cc-pVDZ

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	1.317
2	F	-0.228
3	F	-0.272
4	F	-0.272
5	F	-0.272
6	F	-0.272

	x	y	z	Total
	0.000	0.000	0.512	0.512
CHELPG
AIM
ESP

<r²>	143.839
(<r²>)^1/2	11.993

All results from a given calculation for SF5 (Sulfur pentafluoride)

using model chemistry: B3LYP/cc-pVDZ

States and conformations

All results from a given calculation for SF₅ (Sulfur pentafluoride)