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	hartrees
Energy at 0K	-894.605580
Energy at 298.15K	-894.609256
HF Energy	-894.605580
Nuclear repulsion energy	418.576776

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	986	986	170.20
2	A₁	700	700	11.27
3	A₁	595	595	44.07
4	B₁	480	480	0.00
5	B₂	676	676	0.00
6	B₂	263	263	0.00
7	E	946	946	534.22
7	E	946	946	534.22
8	E	551	551	7.01
8	E	551	551	7.01
9	E	375	375	0.04
9	E	375	375	0.04

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.207
F2	0.000	0.000	-1.343
F3	0.000	1.598	0.244
F4	-1.598	0.000	0.244
F5	0.000	-1.598	0.244
F6	1.598	0.000	0.244

	S1	F2	F3	F4	F5	F6
S1		1.5502	1.5988	1.5988	1.5988	1.5988
F2	1.5502		2.2526	2.2526	2.2526	2.2526
F3	1.5988	2.2526		2.2605	3.1968	2.2605
F4	1.5988	2.2526	2.2605		2.2605	3.1968
F5	1.5988	2.2526	3.1968	2.2605		2.2605
F6	1.5988	2.2526	2.2605	3.1968	2.2605

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	S1	F3	91.328	F2	S1	F4	91.328
F2	S1	F5	91.328	F2	S1	F6	91.328
F3	S1	F4	89.969	F3	S1	F5	177.343
F3	S1	F6	89.969	F4	S1	F5	89.969
F4	S1	F6	177.343	F5	S1	F6	89.969

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

using model chemistry: ROHF/aug-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	3.007
2	F	-0.610
3	F	-0.599
4	F	-0.599
5	F	-0.599
6	F	-0.599

	x	y	z	Total
	0.000	0.000	0.574	0.574
CHELPG
AIM
ESP

<r²>	135.047
(<r²>)^1/2	11.621

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

using model chemistry: ROHF/aug-cc-pVDZ

States and conformations

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