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	hartrees
Energy at 0K	-894.789676
Energy at 298.15K	-894.793583
HF Energy	-894.789676
Nuclear repulsion energy	427.690935

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1012	912	190.11
2	A₁	739	666	23.09
3	A₁	638	575	44.27
4	B₁	526	474	0.00
5	B₂	678	611	0.00
6	B₂	280	252	0.00
7	E	959	864	569.16
7	E	959	864	569.16
8	E	598	539	9.41
8	E	598	539	9.41
9	E	408	367	0.21
9	E	408	367	0.21

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.201
F2	0.000	0.000	-1.316
F3	0.000	1.564	0.240
F4	-1.564	0.000	0.240
F5	0.000	-1.564	0.240
F6	1.564	0.000	0.240

	S1	F2	F3	F4	F5	F6
S1		1.5169	1.5646	1.5646	1.5646	1.5646
F2	1.5169		2.2060	2.2060	2.2060	2.2060
F3	1.5646	2.2060		2.2119	3.1282	2.2119
F4	1.5646	2.2060	2.2119		2.2119	3.1282
F5	1.5646	2.2060	3.1282	2.2119		2.2119
F6	1.5646	2.2060	2.2119	3.1282	2.2119

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	S1	F3	91.423	F2	S1	F4	91.423
F2	S1	F5	91.423	F2	S1	F6	91.423
F3	S1	F4	89.965	F3	S1	F5	177.154
F3	S1	F6	89.965	F4	S1	F5	89.965
F4	S1	F6	177.154	F5	S1	F6	89.965

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

using model chemistry: ROHF/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	1.299
2	F	-0.203
3	F	-0.274
4	F	-0.274
5	F	-0.274
6	F	-0.274

	x	y	z	Total
	0.000	0.000	0.489	0.489
CHELPG
AIM
ESP

<r²>	129.968
(<r²>)^1/2	11.400

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

using model chemistry: ROHF/cc-pVTZ

States and conformations

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