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	hartrees
Energy at 0K	-897.515763
Energy at 298.15K	-897.518863
HF Energy	-897.515763
Nuclear repulsion energy	410.243411

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	865	836	146.75
2	A₁	604	584	7.65
3	A₁	509	492	29.83
4	B₁	430	416	0.00
5	B₂	562	543	0.00
6	B₂	219	212	0.00
7	E	784	758	453.74
7	E	784	758	453.74
8	E	487	471	0.18
8	E	487	471	0.18
9	E	333	322	0.01
9	E	333	322	0.01

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.201
F2	0.000	0.000	-1.362
F3	0.000	1.634	0.251
F4	-1.634	0.000	0.251
F5	0.000	-1.634	0.251
F6	1.634	0.000	0.251

	S1	F2	F3	F4	F5	F6
S1		1.5629	1.6351	1.6351	1.6351	1.6351
F2	1.5629		2.2963	2.2963	2.2963	2.2963
F3	1.6351	2.2963		2.3113	3.2687	2.3113
F4	1.6351	2.2963	2.3113		2.3113	3.2687
F5	1.6351	2.2963	3.2687	2.3113		2.3113
F6	1.6351	2.2963	2.3113	3.2687	2.3113

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	S1	F3	91.757	F2	S1	F4	91.757
F2	S1	F5	91.757	F2	S1	F6	91.757
F3	S1	F4	89.946	F3	S1	F5	176.486
F3	S1	F6	89.946	F4	S1	F5	89.946
F4	S1	F6	176.486	F5	S1	F6	89.946

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

using model chemistry: B3LYP/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	1.111
2	F	-0.164
3	F	-0.237
4	F	-0.237
5	F	-0.237
6	F	-0.237

	x	y	z	Total
	0.000	0.000	0.315	0.315
CHELPG
AIM
ESP

<r²>	139.522
(<r²>)^1/2	11.812

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

using model chemistry: B3LYP/cc-pVTZ

States and conformations

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