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	hartrees
Energy at 0K	-797.158506
Energy at 298.15K
HF Energy	-796.817664
Nuclear repulsion energy	288.835767

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	840	840	92.82	16.64	0.00	0.01
2	A₁	549	549	2.76	14.99	0.38	0.56
3	A₁	468	468	19.16	3.09	0.11	0.20
4	A₁	198	198	1.05	0.54	0.61	0.76
5	A₂	409	409	0.00	1.24	0.75	0.86
6	B₁	823	823	164.59	4.64	0.75	0.86
7	B₁	309	309	10.44	0.10	0.75	0.86
8	B₂	741	741	623.55	0.75	0.75	0.86
9	B₂	470	470	0.13	0.62	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.392
F2	0.000	1.701	0.279
F3	0.000	-1.701	0.279
F4	1.243	0.000	-0.627
F5	-1.243	0.000	-0.627

	S1	F2	F3	F4	F5
S1		1.7045	1.7045	1.6073	1.6073
F2	1.7045		3.4015	2.2934	2.2934
F3	1.7045	3.4015		2.2934	2.2934
F4	1.6073	2.2934	2.2934		2.4859
F5	1.6073	2.2934	2.2934	2.4859

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	S1	F3	172.451	F2	S1	F4	87.608
F2	S1	F5	87.608	F3	S1	F4	87.608
F3	S1	F5	87.608	F4	S1	F5	101.304

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

using model chemistry: B2PLYP=FULL/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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All results from a given calculation for SF4 (Sulfur tetrafluoride)

using model chemistry: B2PLYP=FULL/daug-cc-pVDZ

States and conformations

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