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	hartrees
Energy at 0K	-872.954751
Energy at 298.15K	-872.958270
HF Energy	-872.954751
Nuclear repulsion energy	411.679586

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1372	1321	237.05
2	A₁	770	741	57.91
3	A₁	571	549	5.89
4	A₁	550	529	22.59
5	A₁	168	162	0.00
6	A₂	543	523	0.00
7	B₁	895	861	268.03
8	B₁	546	525	19.07
9	B₁	261	251	0.04
10	B₂	802	772	500.92
11	B₂	621	598	25.63
12	B₂	538	517	0.05

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.138
O2	0.000	0.000	1.553
F3	0.000	1.588	-0.095
F4	0.000	-1.588	-0.095
F5	1.294	0.000	-0.718
F6	-1.294	0.000	-0.718

	S1	O2	F3	F4	F5	F6
S1		1.4148	1.6054	1.6054	1.5515	1.5515
O2	1.4148		2.2886	2.2886	2.6138	2.6138
F3	1.6054	2.2886		3.1768	2.1414	2.1414
F4	1.6054	2.2886	3.1768		2.1414	2.1414
F5	1.5515	2.6138	2.1414	2.1414		2.5875
F6	1.5515	2.6138	2.1414	2.1414	2.5875

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O2	S1	F3	98.339	O2	S1	F4	98.339
O2	S1	F5	123.503	O2	S1	F6	123.503
F3	S1	F4	163.322	F3	S1	F5	85.408
F3	S1	F6	85.408	F4	S1	F5	85.408
F4	S1	F6	85.408	F5	S1	F6	112.993

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

using model chemistry: B3LYP/Def2TZVPP

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	1.083
2	O	-0.334
3	F	-0.234
4	F	-0.234
5	F	-0.141
6	F	-0.141

	x	y	z	Total
	0.000	0.000	-1.132	1.132
CHELPG
AIM
ESP

<r²>	129.621
(<r²>)^1/2	11.385

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

using model chemistry: B3LYP/Def2TZVPP

States and conformations

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