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	hartrees
Energy at 0K	-896.787328
Energy at 298.15K	-896.788999
HF Energy	-896.787328
Nuclear repulsion energy	375.826936

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	779	746	75.93
2	A₁	537	514	1.64
3	A₁	291	279	32.41
4	B₁	285	273	0.00
5	B₂	517	495	0.00
6	B₂	103	99	0.00
7	E	709	679	214.11
7	E	709	679	214.11
8	E	310	296	4.15
8	E	310	296	4.15
9	E	203	194	0.80
9	E	203	194	0.80

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.213
F2	0.000	0.000	-1.493
F3	0.000	1.783	0.278
F4	-1.783	0.000	0.278
F5	0.000	-1.783	0.278
F6	1.783	0.000	0.278

	S1	F2	F3	F4	F5	F6
S1		1.7065	1.7837	1.7837	1.7837	1.7837
F2	1.7065		2.5130	2.5130	2.5130	2.5130
F3	1.7837	2.5130		2.5208	3.5650	2.5208
F4	1.7837	2.5130	2.5208		2.5208	3.5650
F5	1.7837	2.5130	3.5650	2.5208		2.5208
F6	1.7837	2.5130	2.5208	3.5650	2.5208

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	S1	F3	92.086	F2	S1	F4	92.086
F2	S1	F5	92.086	F2	S1	F6	92.086
F3	S1	F4	89.924	F3	S1	F5	175.827
F3	S1	F6	89.924	F4	S1	F5	89.924
F4	S1	F6	175.827	F5	S1	F6	89.924

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

using model chemistry: B3PW91/6-31G

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	1.585
2	F	-0.293
3	F	-0.323
4	F	-0.323
5	F	-0.323
6	F	-0.323

	x	y	z	Total
	0.000	0.000	0.843	0.843
CHELPG
AIM
ESP

<r²>	162.874
(<r²>)^1/2	12.762

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

using model chemistry: B3PW91/6-31G

States and conformations

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