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	hartrees
Energy at 0K	-897.133469
Energy at 298.15K	-897.136660
HF Energy	-897.133469
Nuclear repulsion energy	411.755064

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	907	863	140.17
2	A₁	649	617	6.34
3	A₁	512	488	31.14
4	B₁	431	410	0.00
5	B₂	616	586	0.00
6	B₂	218	207	0.00
7	E	875	833	408.51
7	E	875	833	408.51
8	E	487	463	4.22
8	E	487	463	4.22
9	E	332	316	0.14
9	E	332	316	0.14

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.209
F2	0.000	0.000	-1.362
F3	0.000	1.626	0.248
F4	-1.626	0.000	0.248
F5	0.000	-1.626	0.248
F6	1.626	0.000	0.248

	S1	F2	F3	F4	F5	F6
S1		1.5704	1.6267	1.6267	1.6267	1.6267
F2	1.5704		2.2878	2.2878	2.2878	2.2878
F3	1.6267	2.2878		2.2998	3.2524	2.2998
F4	1.6267	2.2878	2.2998		2.2998	3.2524
F5	1.6267	2.2878	3.2524	2.2998		2.2998
F6	1.6267	2.2878	2.2998	3.2524	2.2998

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	S1	F3	91.367	F2	S1	F4	91.367
F2	S1	F5	91.367	F2	S1	F6	91.367
F3	S1	F4	89.967	F3	S1	F5	177.265
F3	S1	F6	89.967	F4	S1	F5	89.967
F4	S1	F6	177.265	F5	S1	F6	89.967

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

using model chemistry: mPW1PW91/6-31G**

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	1.526
2	F	-0.274
3	F	-0.313
4	F	-0.313
5	F	-0.313
6	F	-0.313

	x	y	z	Total
	0.000	0.000	0.436	0.436
CHELPG
AIM
ESP

<r²>	137.966
(<r²>)^1/2	11.746

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

using model chemistry: mPW1PW91/6-31G**

States and conformations

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