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	hartrees
Energy at 0K	-797.033703
Energy at 298.15K
HF Energy	-797.033703
Nuclear repulsion energy	290.898400

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	868	834	95.37	13.62	0.00	0.01
2	A₁	570	548	3.16	13.08	0.43	0.60
3	A₁	480	462	19.50	2.23	0.14	0.25
4	A₁	199	192	0.83	0.46	0.68	0.81
5	A₂	420	403	0.00	1.15	0.75	0.86
6	B₁	850	817	167.76	4.66	0.75	0.86
7	B₁	323	311	10.18	0.08	0.75	0.86
8	B₂	771	742	629.44	0.83	0.75	0.86
9	B₂	483	464	0.72	0.58	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.392
F2	0.000	1.686	0.271
F3	0.000	-1.686	0.271
F4	1.238	0.000	-0.619
F5	-1.238	0.000	-0.619

	S1	F2	F3	F4	F5
S1		1.6904	1.6904	1.5988	1.5988
F2	1.6904		3.3723	2.2739	2.2739
F3	1.6904	3.3723		2.2739	2.2739
F4	1.5988	2.2739	2.2739		2.4770
F5	1.5988	2.2739	2.2739	2.4770

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	S1	F3	171.856	F2	S1	F4	87.426
F2	S1	F5	87.426	F3	S1	F4	87.426
F3	S1	F5	87.426	F4	S1	F5	101.549

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

using model chemistry: PBE1PBE/aug-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	1.751
2	F	-0.473
3	F	-0.473
4	F	-0.403
5	F	-0.403

	x	y	z	Total
	0.000	0.000	0.897	0.897
CHELPG
AIM
ESP

<r²>	110.466
(<r²>)^1/2	10.510

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

using model chemistry: PBE1PBE/aug-cc-pVDZ

States and conformations

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