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	hartrees
Energy at 0K	-797.171528
Energy at 298.15K
HF Energy	-797.171528
Nuclear repulsion energy	289.944825

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	811	811	90.66	14.70	0.00	0.01
2	A₁	516	516	4.35	12.26	0.41	0.58
3	A₁	459	459	13.47	3.28	0.10	0.18
4	A₁	196	196	0.93	0.55	0.60	0.75
5	A₂	407	407	0.00	1.14	0.75	0.86
6	B₁	780	780	163.25	4.24	0.75	0.86
7	B₁	303	303	7.91	0.09	0.75	0.86
8	B₂	695	695	572.75	0.64	0.75	0.86
9	B₂	468	468	0.28	0.57	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.384
F2	0.000	1.697	0.289
F3	0.000	-1.697	0.289
F4	1.233	0.000	-0.631
F5	-1.233	0.000	-0.631

	S1	F2	F3	F4	F5
S1		1.6994	1.6994	1.5974	1.5974
F2	1.6994		3.3934	2.2907	2.2907
F3	1.6994	3.3934		2.2907	2.2907
F4	1.5974	2.2907	2.2907		2.4664
F5	1.5974	2.2907	2.2907	2.4664

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	S1	F3	173.603	F2	S1	F4	87.967
F2	S1	F5	87.967	F3	S1	F4	87.967
F3	S1	F5	87.967	F4	S1	F5	101.066

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

using model chemistry: PBEPBEultrafine/daug-cc-pVTZ

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	2.632
2	F	-0.572
3	F	-0.572
4	F	-0.744
5	F	-0.744

	x	y	z	Total
	0.000	0.000	0.708	0.708
CHELPG
AIM
ESP

<r²>	111.251
(<r²>)^1/2	10.548

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

using model chemistry: PBEPBEultrafine/daug-cc-pVTZ

States and conformations

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