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	hartrees
Energy at 0K	-872.351629
Energy at 298.15K	-872.354936
HF Energy	-872.351629
Nuclear repulsion energy	406.680719

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1330	1314	207.28
2	A₁	724	715	56.89
3	A₁	543	536	3.86
4	A₁	521	515	18.32
5	A₁	152	150	0.01
6	A₂	516	510	0.00
7	B₁	846	835	251.13
8	B₁	517	510	13.39
9	B₁	246	243	0.00
10	B₂	768	759	467.28
11	B₂	588	581	16.64
12	B₂	509	503	0.03

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.137
O2	0.000	0.000	1.561
F3	0.000	1.601	-0.092
F4	0.000	-1.601	-0.092
F5	1.305	0.000	-0.724
F6	-1.305	0.000	-0.724

	S1	O2	F3	F4	F5	F6
S1		1.4241	1.6169	1.6169	1.5632	1.5632
O2	1.4241		2.3012	2.3012	2.6312	2.6312
F3	1.6169	2.3012		3.2011	2.1595	2.1595
F4	1.6169	2.3012	3.2011		2.1595	2.1595
F5	1.5632	2.6312	2.1595	2.1595		2.6098
F6	1.5632	2.6312	2.1595	2.1595	2.6098

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O2	S1	F3	98.151	O2	S1	F4	98.151
O2	S1	F5	123.407	O2	S1	F6	123.407
F3	S1	F4	163.699	F3	S1	F5	85.523
F3	S1	F6	85.523	F4	S1	F5	85.523
F4	S1	F6	85.523	F5	S1	F6	113.186

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

using model chemistry: PBEPBE/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	0.862
2	O	-0.278
3	F	-0.190
4	F	-0.190
5	F	-0.102
6	F	-0.102

	x	y	z	Total
	0.000	0.000	-0.989	0.989
CHELPG
AIM
ESP

<r²>	132.134
(<r²>)^1/2	11.495

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

using model chemistry: PBEPBE/Def2TZVPP

States and conformations

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