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	hartrees
Energy at 0K	-897.214790
Energy at 298.15K	-897.217940
HF Energy	-897.214790
Nuclear repulsion energy	407.879001

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	901	866	150.75
2	A₁	640	615	6.21
3	A₁	503	484	33.98
4	B₁	415	399	0.00
5	B₂	611	588	0.00
6	B₂	220	211	0.00
7	E	861	828	431.47
7	E	861	828	431.47
8	E	477	458	4.54
8	E	477	458	4.54
9	E	327	314	0.08
9	E	327	314	0.08

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.209
F2	0.000	0.000	-1.375
F3	0.000	1.642	0.251
F4	-1.642	0.000	0.251
F5	0.000	-1.642	0.251
F6	1.642	0.000	0.251

	S1	F2	F3	F4	F5	F6
S1		1.5834	1.6423	1.6423	1.6423	1.6423
F2	1.5834		2.3106	2.3106	2.3106	2.3106
F3	1.6423	2.3106		2.3218	3.2835	2.3218
F4	1.6423	2.3106	2.3218		2.3218	3.2835
F5	1.6423	2.3106	3.2835	2.3218		2.3218
F6	1.6423	2.3106	2.3218	3.2835	2.3218

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	S1	F3	91.482	F2	S1	F4	91.482
F2	S1	F5	91.482	F2	S1	F6	91.482
F3	S1	F4	89.962	F3	S1	F5	177.035
F3	S1	F6	89.962	F4	S1	F5	89.962
F4	S1	F6	177.035	F5	S1	F6	89.962

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

using model chemistry: B1B95/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	1.303
2	F	-0.226
3	F	-0.269
4	F	-0.269
5	F	-0.269
6	F	-0.269

	x	y	z	Total
	0.000	0.000	0.534	0.534
CHELPG
AIM
ESP

<r²>	140.577
(<r²>)^1/2	11.857

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

using model chemistry: B1B95/cc-pVDZ

States and conformations

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