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	hartrees
Energy at 0K	-872.071707
Energy at 298.15K	-872.074811
HF Energy	-872.071707
Nuclear repulsion energy	395.856476

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1271	1263	189.83
2	A₁	695	691	49.58
3	A₁	567	564	2.21
4	A₁	480	477	21.80
5	A₁	140	139	0.02
6	A₂	466	463	0.00
7	B₁	829	824	226.07
8	B₁	472	470	15.46
9	B₁	216	215	0.16
10	B₂	827	823	395.51
11	B₂	542	539	23.38
12	B₂	470	467	0.07

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.151
O2	0.000	0.000	1.617
F3	0.000	1.651	-0.084
F4	0.000	-1.651	-0.084
F5	1.354	0.000	-0.769
F6	-1.354	0.000	-0.769

	S1	O2	F3	F4	F5	F6
S1		1.4657	1.6680	1.6680	1.6371	1.6371
O2	1.4657		2.3704	2.3704	2.7430	2.7430
F3	1.6680	2.3704		3.3027	2.2428	2.2428
F4	1.6680	2.3704	3.3027		2.2428	2.2428
F5	1.6371	2.7430	2.2428	2.2428		2.7087
F6	1.6371	2.7430	2.2428	2.2428	2.7087

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O2	S1	F3	98.098	O2	S1	F4	98.098
O2	S1	F5	124.178	O2	S1	F6	124.178
F3	S1	F4	163.804	F3	S1	F5	85.461
F3	S1	F6	85.461	F4	S1	F5	85.461
F4	S1	F6	85.461	F5	S1	F6	111.645

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

using model chemistry: PBEPBEultrafine/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	1.155
2	O	-0.286
3	F	-0.248
4	F	-0.248
5	F	-0.187
6	F	-0.187

	x	y	z	Total
	0.000	0.000	-0.641	0.641
CHELPG
AIM
ESP

<r²>	137.855
(<r²>)^1/2	11.741

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

using model chemistry: PBEPBEultrafine/cc-pVDZ

States and conformations

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