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	hartrees
Energy at 0K	-894.018139
Energy at 298.15K	-894.021106
HF Energy	-894.018139
Nuclear repulsion energy	405.472911

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	874	865	137.48
2	A₁	630	623	4.67
3	A₁	461	456	24.22
4	B₁	396	391	0.00
5	B₂	599	592	0.00
6	B₂	204	202	0.00
7	E	851	842	385.25
7	E	851	842	385.25
8	E	450	445	3.59
8	E	450	445	3.59
9	E	310	307	0.11
9	E	310	307	0.11

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.207
F2	0.000	0.000	-1.385
F3	0.000	1.651	0.254
F4	-1.651	0.000	0.254
F5	0.000	-1.651	0.254
F6	1.651	0.000	0.254

	S1	F2	F3	F4	F5	F6
S1		1.5915	1.6519	1.6519	1.6519	1.6519
F2	1.5915		2.3265	2.3265	2.3265	2.3265
F3	1.6519	2.3265		2.3352	3.3025	2.3352
F4	1.6519	2.3265	2.3352		2.3352	3.3025
F5	1.6519	2.3265	3.3025	2.3352		2.3352
F6	1.6519	2.3265	2.3352	3.3025	2.3352

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	S1	F3	91.642	F2	S1	F4	91.642
F2	S1	F5	91.642	F2	S1	F6	91.642
F3	S1	F4	89.953	F3	S1	F5	176.717
F3	S1	F6	89.953	F4	S1	F5	89.953
F4	S1	F6	176.717	F5	S1	F6	89.953

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

using model chemistry: LSDA/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	1.082
2	F	-0.185
3	F	-0.224
4	F	-0.224
5	F	-0.224
6	F	-0.224

	x	y	z	Total
	0.000	0.000	0.419	0.419
CHELPG
AIM
ESP

<r²>	141.875
(<r²>)^1/2	11.911

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

using model chemistry: LSDA/cc-pVDZ

States and conformations

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