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	hartrees
Energy at 0K	-896.865025
Energy at 298.15K	-896.867605
HF Energy	-896.865025
Nuclear repulsion energy	398.066802

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	788	779	145.35
2	A₁	542	535	5.62
3	A₁	426	421	24.29
4	B₁	387	382	0.00
5	B₂	500	495	0.00
6	B₂	185	183	0.00
7	E	711	703	425.99
7	E	711	703	425.99
8	E	425	420	0.14
8	E	425	420	0.14
9	E	297	294	0.03
9	E	297	294	0.03

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.198
F2	0.000	0.000	-1.406
F3	0.000	1.684	0.264
F4	-1.684	0.000	0.264
F5	0.000	-1.684	0.264
F6	1.684	0.000	0.264

	S1	F2	F3	F4	F5	F6
S1		1.6041	1.6855	1.6855	1.6855	1.6855
F2	1.6041		2.3719	2.3719	2.3719	2.3719
F3	1.6855	2.3719		2.3818	3.3684	2.3818
F4	1.6855	2.3719	2.3818		2.3818	3.3684
F5	1.6855	2.3719	3.3684	2.3818		2.3818
F6	1.6855	2.3719	2.3818	3.3684	2.3818

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	S1	F3	92.248	F2	S1	F4	92.248
F2	S1	F5	92.248	F2	S1	F6	92.248
F3	S1	F4	89.912	F3	S1	F5	175.505
F3	S1	F6	89.912	F4	S1	F5	89.912
F4	S1	F6	175.505	F5	S1	F6	89.912

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

using model chemistry: PBEPBE/TZVP

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	0.948
2	F	-0.126
3	F	-0.206
4	F	-0.206
5	F	-0.206
6	F	-0.206

	x	y	z	Total
	0.000	0.000	0.330	0.330
CHELPG
AIM
ESP

<r²>	147.492
(<r²>)^1/2	12.145

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

using model chemistry: PBEPBE/TZVP

States and conformations

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