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	hartrees
Energy at 0K	-894.279402
Energy at 298.15K	-894.282496
HF Energy	-894.279402
Nuclear repulsion energy	412.736139

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	870	861	140.50
2	A₁	618	611	7.14
3	A₁	496	491	25.13
4	B₁	421	417	0.00
5	B₂	573	567	0.00
6	B₂	218	216	0.00
7	E	810	801	433.57
7	E	810	801	433.57
8	E	481	476	1.07
8	E	481	476	1.07
9	E	328	325	0.01
9	E	328	325	0.01

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.204
F2	0.000	0.000	-1.354
F3	0.000	1.624	0.248
F4	-1.624	0.000	0.248
F5	0.000	-1.624	0.248
F6	1.624	0.000	0.248

	S1	F2	F3	F4	F5	F6
S1		1.5580	1.6246	1.6246	1.6246	1.6246
F2	1.5580		2.2810	2.2810	2.2810	2.2810
F3	1.6246	2.2810		2.2967	3.2481	2.2967
F4	1.6246	2.2810	2.2967		2.2967	3.2481
F5	1.6246	2.2810	3.2481	2.2967		2.2967
F6	1.6246	2.2810	2.2967	3.2481	2.2967

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	S1	F3	91.542	F2	S1	F4	91.542
F2	S1	F5	91.542	F2	S1	F6	91.542
F3	S1	F4	89.958	F3	S1	F5	176.915
F3	S1	F6	89.958	F4	S1	F5	89.958
F4	S1	F6	176.915	F5	S1	F6	89.958

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

using model chemistry: LSDA/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	0.867
2	F	-0.121
3	F	-0.187
4	F	-0.187
5	F	-0.187
6	F	-0.187

	x	y	z	Total
	0.000	0.000	0.256	0.256
CHELPG
AIM
ESP

<r²>	137.959
(<r²>)^1/2	11.746

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

using model chemistry: LSDA/cc-pVTZ

States and conformations

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