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	hartrees
Energy at 0K	-897.445467
Energy at 298.15K	-897.448788
HF Energy	-897.445467
Nuclear repulsion energy	416.163353

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	904	865	151.32
2	A₁	642	614	10.36
3	A₁	538	515	31.99
4	B₁	447	428	0.00
5	B₂	598	572	0.00
6	B₂	234	224	0.00
7	E	842	806	472.57
7	E	842	806	472.57
8	E	512	490	1.88
8	E	512	490	1.88
9	E	349	334	0.01
9	E	349	334	0.01

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.205
F2	0.000	0.000	-1.344
F3	0.000	1.610	0.245
F4	-1.610	0.000	0.245
F5	0.000	-1.610	0.245
F6	1.610	0.000	0.245

	S1	F2	F3	F4	F5	F6
S1		1.5487	1.6106	1.6106	1.6106	1.6106
F2	1.5487		2.2621	2.2621	2.2621	2.2621
F3	1.6106	2.2621		2.2770	3.2202	2.2770
F4	1.6106	2.2621	2.2770		2.2770	3.2202
F5	1.6106	2.2621	3.2202	2.2770		2.2770
F6	1.6106	2.2621	2.2770	3.2202	2.2770

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	S1	F3	91.429	F2	S1	F4	91.429
F2	S1	F5	91.429	F2	S1	F6	91.429
F3	S1	F4	89.964	F3	S1	F5	177.143
F3	S1	F6	89.964	F4	S1	F5	89.964
F4	S1	F6	177.143	F5	S1	F6	89.964

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

using model chemistry: B1B95/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	0.986
2	F	-0.142
3	F	-0.211
4	F	-0.211
5	F	-0.211
6	F	-0.211

	x	y	z	Total
	0.000	0.000	0.339	0.339
CHELPG
AIM
ESP

<r²>	135.898
(<r²>)^1/2	11.658

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

using model chemistry: B1B95/cc-pVTZ

States and conformations

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