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	hartrees
Energy at 0K	-797.464164
Energy at 298.15K
HF Energy	-797.464164
Nuclear repulsion energy	290.787503

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A₁	866	829	95.64	13.69	0.00	0.01
2	A₁	568	544	3.12	13.05	0.43	0.60
3	A₁	479	459	19.61	2.29	0.14	0.25
4	A₁	199	191	0.86	0.46	0.68	0.81
5	A₂	419	401	0.00	1.16	0.75	0.86
6	B₁	848	812	167.96	4.67	0.75	0.86
7	B₁	322	309	10.29	0.09	0.75	0.86
8	B₂	768	736	630.19	0.83	0.75	0.86
9	B₂	482	462	0.57	0.58	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.391
F2	0.000	1.687	0.272
F3	0.000	-1.687	0.272
F4	1.239	0.000	-0.620
F5	-1.239	0.000	-0.620

	S1	F2	F3	F4	F5
S1		1.6914	1.6914	1.5988	1.5988
F2	1.6914		3.3745	2.2753	2.2753
F3	1.6914	3.3745		2.2753	2.2753
F4	1.5988	2.2753	2.2753		2.4776
F5	1.5988	2.2753	2.2753	2.4776

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	S1	F3	171.946	F2	S1	F4	87.456
F2	S1	F5	87.456	F3	S1	F4	87.456
F3	S1	F5	87.456	F4	S1	F5	101.580

All results from a given calculation for SF₄ (Sulfur tetrafluoride)

using model chemistry: mPW1PW91/aug-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	1.744
2	F	-0.471
3	F	-0.471
4	F	-0.401
5	F	-0.401

	x	y	z	Total
	0.000	0.000	0.911	0.911
CHELPG
AIM
ESP

<r²>	110.534
(<r²>)^1/2	10.514

All results from a given calculation for SF4 (Sulfur tetrafluoride)

using model chemistry: mPW1PW91/aug-cc-pVDZ

States and conformations

All results from a given calculation for SF₄ (Sulfur tetrafluoride)