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	hartrees
Energy at 0K	-897.177882
Energy at 298.15K	-897.181075
HF Energy	-897.177882
Nuclear repulsion energy	413.159074

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	917	870	140.63
2	A₁	655	622	6.64
3	A₁	515	489	31.82
4	B₁	429	407	0.00
5	B₂	622	591	0.00
6	B₂	221	209	0.00
7	E	884	839	409.40
7	E	884	839	409.40
8	E	488	464	4.87
8	E	488	464	4.87
9	E	333	316	0.16
9	E	333	316	0.16

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.212
F2	0.000	0.000	-1.355
F3	0.000	1.621	0.245
F4	-1.621	0.000	0.245
F5	0.000	-1.621	0.245
F6	1.621	0.000	0.245

	S1	F2	F3	F4	F5	F6
S1		1.5665	1.6214	1.6214	1.6214	1.6214
F2	1.5665		2.2772	2.2772	2.2772	2.2772
F3	1.6214	2.2772		2.2925	3.2421	2.2925
F4	1.6214	2.2772	2.2925		2.2925	3.2421
F5	1.6214	2.2772	3.2421	2.2925		2.2925
F6	1.6214	2.2772	2.2925	3.2421	2.2925

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	S1	F3	91.160	F2	S1	F4	91.160
F2	S1	F5	91.160	F2	S1	F6	91.160
F3	S1	F4	89.977	F3	S1	F5	177.680
F3	S1	F6	89.977	F4	S1	F5	89.977
F4	S1	F6	177.680	F5	S1	F6	89.977

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

using model chemistry: B1B95/6-31G*

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	1.506
2	F	-0.271
3	F	-0.309
4	F	-0.309
5	F	-0.309
6	F	-0.309

	x	y	z	Total
	0.000	0.000	0.458	0.458
CHELPG
AIM
ESP

<r²>	137.120
(<r²>)^1/2	11.710

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

using model chemistry: B1B95/6-31G*

States and conformations

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