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	hartrees
Energy at 0K	-872.825994
Energy at 298.15K	-872.829660
HF Energy	-872.825994
Nuclear repulsion energy	415.189895

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1416	1356	241.57
2	A₁	806	772	55.54
3	A₁	600	575	4.77
4	A₁	568	544	25.64
5	A₁	175	167	0.00
6	A₂	562	538	0.00
7	B₁	933	894	266.21
8	B₁	563	540	21.12
9	B₁	267	255	0.10
10	B₂	846	810	489.23
11	B₂	641	614	33.58
12	B₂	555	531	0.01

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.133
O2	0.000	0.000	1.541
F3	0.000	1.584	-0.083
F4	0.000	-1.584	-0.083
F5	1.288	0.000	-0.721
F6	-1.288	0.000	-0.721

	S1	O2	F3	F4	F5	F6
S1		1.4080	1.5985	1.5985	1.5461	1.5461
O2	1.4080		2.2685	2.2685	2.6038	2.6038
F3	1.5985	2.2685		3.1677	2.1393	2.1393
F4	1.5985	2.2685	3.1677		2.1393	2.1393
F5	1.5461	2.6038	2.1393	2.1393		2.5767
F6	1.5461	2.6038	2.1393	2.1393	2.5767

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O2	S1	F3	97.766	O2	S1	F4	97.766
O2	S1	F5	123.562	O2	S1	F6	123.562
F3	S1	F4	164.469	F3	S1	F5	85.716
F3	S1	F6	85.716	F4	S1	F5	85.716
F4	S1	F6	85.716	F5	S1	F6	112.876

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

using model chemistry: mPW1PW91/cc-pV(T+d)Z

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	1.047
2	O	-0.343
3	F	-0.223
4	F	-0.223
5	F	-0.129
6	F	-0.129

	x	y	z	Total
	0.000	0.000	-1.226	1.226
CHELPG
AIM
ESP

<r²>	127.451
(<r²>)^1/2	11.289

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

using model chemistry: mPW1PW91/cc-pV(T+d)Z

States and conformations

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