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	hartrees
Energy at 0K	-897.282494
Energy at 298.15K	-897.285705
HF Energy	-897.282494
Nuclear repulsion energy	412.836541

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	881	847	149.15
2	A₁	621	597	9.09
3	A₁	524	503	29.61
4	B₁	440	424	0.00
5	B₂	578	556	0.00
6	B₂	226	217	0.00
7	E	813	782	464.22
7	E	813	782	464.22
8	E	499	480	0.77
8	E	499	480	0.77
9	E	341	328	0.00
9	E	341	328	0.00

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.201
F2	0.000	0.000	-1.356
F3	0.000	1.623	0.249
F4	-1.623	0.000	0.249
F5	0.000	-1.623	0.249
F6	1.623	0.000	0.249

	S1	F2	F3	F4	F5	F6
S1		1.5574	1.6238	1.6238	1.6238	1.6238
F2	1.5574		2.2830	2.2830	2.2830	2.2830
F3	1.6238	2.2830		2.2954	3.2462	2.2954
F4	1.6238	2.2830	2.2954		2.2954	3.2462
F5	1.6238	2.2830	3.2462	2.2954		2.2954
F6	1.6238	2.2830	2.2954	3.2462	2.2954

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	S1	F3	91.696	F2	S1	F4	91.696
F2	S1	F5	91.696	F2	S1	F6	91.696
F3	S1	F4	89.950	F3	S1	F5	176.608
F3	S1	F6	89.950	F4	S1	F5	89.950
F4	S1	F6	176.608	F5	S1	F6	89.950

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

using model chemistry: B3PW91/cc-pVTZ

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	1.036
2	F	-0.150
3	F	-0.221
4	F	-0.221
5	F	-0.221
6	F	-0.221

	x	y	z	Total
	0.000	0.000	0.298	0.298
CHELPG
AIM
ESP

<r²>	137.837
(<r²>)^1/2	11.740

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

using model chemistry: B3PW91/cc-pVTZ

States and conformations

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