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	hartrees
Energy at 0K	-872.800057
Energy at 298.15K	-872.803653
HF Energy	-872.800057
Nuclear repulsion energy	412.256058

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1390	1333	233.73
2	A₁	793	761	56.12
3	A₁	599	574	3.49
4	A₁	556	533	26.91
5	A₁	170	163	0.00
6	A₂	547	525	0.00
7	B₁	921	884	261.77
8	B₁	549	527	20.96
9	B₁	260	249	0.13
10	B₂	847	812	482.79
11	B₂	625	600	32.92
12	B₂	541	519	0.00

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.136
O2	0.000	0.000	1.555
F3	0.000	1.593	-0.083
F4	0.000	-1.593	-0.083
F5	1.296	0.000	-0.729
F6	-1.296	0.000	-0.729

	S1	O2	F3	F4	F5	F6
S1		1.4190	1.6082	1.6082	1.5585	1.5585
O2	1.4190		2.2848	2.2848	2.6263	2.6263
F3	1.6082	2.2848		3.1866	2.1534	2.1534
F4	1.6082	2.2848	3.1866		2.1534	2.1534
F5	1.5585	2.6263	2.1534	2.1534		2.5928
F6	1.5585	2.6263	2.1534	2.1534	2.5928

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O2	S1	F3	97.811	O2	S1	F4	97.811
O2	S1	F5	123.713	O2	S1	F6	123.713
F3	S1	F4	164.379	F3	S1	F5	85.674
F3	S1	F6	85.674	F4	S1	F5	85.674
F4	S1	F6	85.674	F5	S1	F6	112.573

All results from a given calculation for SOF₄ (Sulfur tetrafluoride oxide)

using model chemistry: mPW1PW91/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	1.079
2	O	-0.336
3	F	-0.232
4	F	-0.232
5	F	-0.139
6	F	-0.139

	x	y	z	Total
	0.000	0.000	-1.177	1.177
CHELPG
AIM
ESP

<r²>	129.016
(<r²>)^1/2	11.359

All results from a given calculation for SOF4 (Sulfur tetrafluoride oxide)

using model chemistry: mPW1PW91/cc-pVTZ

States and conformations

All results from a given calculation for SOF₄ (Sulfur tetrafluoride oxide)