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	hartrees
Energy at 0K	-861.131576
Energy at 298.15K	-861.133413
HF Energy	-861.131576
Nuclear repulsion energy	372.858971

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1040	914	59.47
2	A₁	657	577	9.89
3	A₁	599	527	0.50
4	A₁	356	313	15.97
5	A₁	72	64	0.47
6	A₂	343	301	0.00
7	B₁	789	694	79.18
8	B₁	336	296	14.62
9	B₁	127	111	2.35
10	B₂	911	800	150.18
11	B₂	393	345	22.02
12	B₂	345	303	0.53

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.163
O2	0.000	0.000	1.762
F3	0.000	1.722	-0.098
F4	0.000	-1.722	-0.098
F5	1.438	0.000	-0.830
F6	-1.438	0.000	-0.830

	S1	O2	F3	F4	F5	F6
S1		1.5996	1.7415	1.7415	1.7472	1.7472
O2	1.5996		2.5349	2.5349	2.9641	2.9641
F3	1.7415	2.5349		3.4437	2.3597	2.3597
F4	1.7415	2.5349	3.4437		2.3597	2.3597
F5	1.7472	2.9641	2.3597	2.3597		2.8764
F6	1.7472	2.9641	2.3597	2.3597	2.8764

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O2	S1	F3	98.612	O2	S1	F4	98.612
O2	S1	F5	124.601	O2	S1	F6	124.601
F3	S1	F4	162.775	F3	S1	F5	85.122
F3	S1	F6	85.122	F4	S1	F5	85.122
F4	S1	F6	85.122	F5	S1	F6	110.798

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

using model chemistry: mPW1PW91/STO-3G

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	0.959
2	O	-0.320
3	F	-0.176
4	F	-0.176
5	F	-0.144
6	F	-0.144

	x	y	z	Total
	0.000	0.000	-0.846	0.846
CHELPG
AIM
ESP

<r²>	149.703
(<r²>)^1/2	12.235

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

using model chemistry: mPW1PW91/STO-3G

States and conformations

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