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	hartrees
Energy at 0K	-885.384758
Energy at 298.15K	-885.386397
HF Energy	-885.384758
Nuclear repulsion energy	379.538216

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	765	683	24.97
2	A₁	571	510	9.46
3	A₁	361	322	16.58
4	B₁	287	256	0.00
5	B₂	538	480	0.00
6	B₂	159	142	0.00
7	E	789	704	107.43
7	E	789	704	107.43
8	E	351	313	5.28
8	E	351	313	5.28
9	E	202	181	0.37
9	E	202	181	0.37

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.309
F2	0.000	0.000	-1.433
F3	0.000	1.768	0.221
F4	-1.768	0.000	0.221
F5	0.000	-1.768	0.221
F6	1.768	0.000	0.221

	S1	F2	F3	F4	F5	F6
S1		1.7418	1.7703	1.7703	1.7703	1.7703
F2	1.7418		2.4215	2.4215	2.4215	2.4215
F3	1.7703	2.4215		2.5006	3.5363	2.5006
F4	1.7703	2.4215	2.5006		2.5006	3.5363
F5	1.7703	2.4215	3.5363	2.5006		2.5006
F6	1.7703	2.4215	2.5006	3.5363	2.5006

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	S1	F3	87.171	F2	S1	F4	87.171
F2	S1	F5	87.171	F2	S1	F6	87.171
F3	S1	F4	89.860	F3	S1	F5	174.342
F3	S1	F6	89.860	F4	S1	F5	89.860
F4	S1	F6	174.342	F5	S1	F6	89.860

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

using model chemistry: B3LYP/STO-3G

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	0.804
2	F	-0.148
3	F	-0.164
4	F	-0.164
5	F	-0.164
6	F	-0.164

	x	y	z	Total
	0.000	0.000	0.766	0.766
CHELPG
AIM
ESP

<r²>	154.877
(<r²>)^1/2	12.445

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

using model chemistry: B3LYP/STO-3G

States and conformations

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