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	hartrees
Energy at 0K	-796.972119
Energy at 298.15K
HF Energy	-796.972119
Nuclear repulsion energy	291.631350

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	879	845	112.39	11.07	0.00	0.00
2	A₁	597	574	3.33	9.94	0.48	0.65
3	A₁	491	472	24.44	1.64	0.34	0.51
4	A₁	208	200	0.55	0.49	0.72	0.84
5	A₂	426	410	0.00	1.63	0.75	0.86
6	B₁	863	830	163.41	4.80	0.75	0.86
7	B₁	328	315	11.69	0.14	0.75	0.86
8	B₂	825	793	565.16	1.17	0.75	0.86
9	B₂	492	473	3.31	1.05	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.391
F2	0.000	1.676	0.279
F3	0.000	-1.676	0.279
F4	1.235	0.000	-0.627
F5	-1.235	0.000	-0.627

	S1	F2	F3	F4	F5
S1		1.6800	1.6800	1.5999	1.5999
F2	1.6800		3.3526	2.2706	2.2706
F3	1.6800	3.3526		2.2706	2.2706
F4	1.5999	2.2706	2.2706		2.4692
F5	1.5999	2.2706	2.2706	2.4692

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	S1	F3	172.400	F2	S1	F4	87.584
F2	S1	F5	87.584	F3	S1	F4	87.584
F3	S1	F5	87.584	F4	S1	F5	101.013

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

using model chemistry: PBE1PBE/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	1.176
2	F	-0.350
3	F	-0.350
4	F	-0.238
5	F	-0.238

	x	y	z	Total
	0.000	0.000	1.033	1.033
CHELPG
AIM
ESP

<r²>	109.467
(<r²>)^1/2	10.463

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

using model chemistry: PBE1PBE/cc-pVDZ

States and conformations

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