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	hartrees
Energy at 0K	-793.257067
Energy at 298.15K
HF Energy	-793.257067
Nuclear repulsion energy	281.045187

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	778	750	48.60	14.18	0.00	0.00
2	A₁	557	537	0.10	11.42	0.48	0.65
3	A₁	413	398	32.01	2.24	0.37	0.54
4	A₁	130	125	0.71	0.82	0.72	0.84
5	A₂	361	349	0.00	2.76	0.75	0.86
6	B₁	814	786	84.70	5.84	0.75	0.86
7	B₁	281	271	15.30	0.09	0.75	0.86
8	B₂	809	780	286.83	1.58	0.75	0.86
9	B₂	410	395	6.95	1.25	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.429
F2	0.000	1.719	0.197
F3	0.000	-1.719	0.197
F4	1.344	0.000	-0.579
F5	-1.344	0.000	-0.579

	S1	F2	F3	F4	F5
S1		1.7344	1.7344	1.6800	1.6800
F2	1.7344		3.4377	2.3157	2.3157
F3	1.7344	3.4377		2.3157	2.3157
F4	1.6800	2.3157	2.3157		2.6874
F5	1.6800	2.3157	2.3157	2.6874

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	S1	F3	164.621	F2	S1	F4	85.394
F2	S1	F5	85.394	F3	S1	F4	85.394
F3	S1	F5	85.394	F4	S1	F5	106.229

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

using model chemistry: B3LYPultrafine/3-21G

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	1.375
2	F	-0.380
3	F	-0.380
4	F	-0.307
5	F	-0.307

	x	y	z	Total
	0.000	0.000	1.683	1.683
CHELPG
AIM
ESP

<r²>	115.993
(<r²>)^1/2	10.770

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

using model chemistry: B3LYPultrafine/3-21G

States and conformations

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