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	hartrees
Energy at 0K	-797.032248
Energy at 298.15K
HF Energy	-797.032248
Nuclear repulsion energy	284.497404

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	789	789	82.65	16.96	0.00	0.01
2	A₁	524	524	4.65	14.05	0.40	0.57
3	A₁	427	427	13.17	3.39	0.10	0.19
4	A₁	180	180	0.84	0.68	0.62	0.77
5	A₂	376	376	0.00	1.40	0.75	0.86
6	B₁	766	766	159.29	4.55	0.75	0.86
7	B₁	282	282	7.89	0.13	0.75	0.86
8	B₂	727	727	556.15	0.46	0.75	0.86
9	B₂	434	434	0.05	0.74	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.392
F2	0.000	1.722	0.299
F3	0.000	-1.722	0.299
F4	1.261	0.000	-0.648
F5	-1.261	0.000	-0.648

	S1	F2	F3	F4	F5
S1		1.7246	1.7246	1.6344	1.6344
F2	1.7246		3.4442	2.3348	2.3348
F3	1.7246	3.4442		2.3348	2.3348
F4	1.6344	2.3348	2.3348		2.5213
F5	1.6344	2.3348	2.3348	2.5213

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	S1	F3	173.795	F2	S1	F4	88.026
F2	S1	F5	88.026	F3	S1	F4	88.026
F3	S1	F5	88.026	F4	S1	F5	100.949

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

using model chemistry: PBEPBE/daug-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	1.494
2	F	-0.374
3	F	-0.374
4	F	-0.373
5	F	-0.373

	x	y	z	Total
	0.000	0.000	0.885	0.885
CHELPG
AIM
ESP

<r²>	114.780
(<r²>)^1/2	10.714

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

using model chemistry: PBEPBE/daug-cc-pVDZ

States and conformations

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