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	hartrees
Energy at 0K	-896.661782
Energy at 298.15K	-896.664508
HF Energy	-896.661782
Nuclear repulsion energy	397.912388

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	823	818	132.80
2	A₁	586	583	4.40
3	A₁	434	431	21.66
4	B₁	380	378	0.00
5	B₂	555	552	0.00
6	B₂	191	189	0.00
7	E	790	786	360.57
7	E	790	786	360.57
8	E	426	423	1.65
8	E	426	423	1.65
9	E	296	295	0.05
9	E	296	295	0.05

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.204
F2	0.000	0.000	-1.413
F3	0.000	1.682	0.263
F4	-1.682	0.000	0.263
F5	0.000	-1.682	0.263
F6	1.682	0.000	0.263

	S1	F2	F3	F4	F5	F6
S1		1.6171	1.6835	1.6835	1.6835	1.6835
F2	1.6171		2.3748	2.3748	2.3748	2.3748
F3	1.6835	2.3748		2.3793	3.3649	2.3793
F4	1.6835	2.3748	2.3793		2.3793	3.3649
F5	1.6835	2.3748	3.3649	2.3793		2.3793
F6	1.6835	2.3748	2.3793	3.3649	2.3793

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	S1	F3	92.009	F2	S1	F4	92.009
F2	S1	F5	92.009	F2	S1	F6	92.009
F3	S1	F4	89.930	F3	S1	F5	175.983
F3	S1	F6	89.930	F4	S1	F5	89.930
F4	S1	F6	175.983	F5	S1	F6	89.930

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

using model chemistry: PBEPBE/cc-pVDZ

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	1.178
2	F	-0.203
3	F	-0.244
4	F	-0.244
5	F	-0.244
6	F	-0.244

	x	y	z	Total
	0.000	0.000	0.419	0.419
CHELPG
AIM
ESP

<r²>	146.550
(<r²>)^1/2	12.106

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

using model chemistry: PBEPBE/cc-pVDZ

States and conformations

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