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	hartrees
Energy at 0K	-122.769329
Energy at 298.15K	-122.772590
HF Energy	-122.769329
Nuclear repulsion energy	167.794005

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1291	1252	217.49
2	A₁	720	698	58.83
3	A₁	560	543	3.13
4	A₁	510	495	24.78
5	A₁	155	150	0.01
6	A₂	500	485	0.00
7	B₁	846	820	251.43
8	B₁	501	486	17.90
9	B₁	238	231	0.11
10	B₂	802	778	468.73
11	B₂	574	557	23.46
12	B₂	497	482	0.01

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.146
O2	0.000	0.000	1.596
F3	0.000	1.633	-0.085
F4	0.000	-1.633	-0.085
F5	1.330	0.000	-0.754
F6	-1.330	0.000	-0.754

	S1	O2	F3	F4	F5	F6
S1		1.4508	1.6497	1.6497	1.6057	1.6057
O2	1.4508		2.3445	2.3445	2.7005	2.7005
F3	1.6497	2.3445		3.2669	2.2100	2.2100
F4	1.6497	2.3445	3.2669		2.2100	2.2100
F5	1.6057	2.7005	2.2100	2.2100		2.6603
F6	1.6057	2.7005	2.2100	2.2100	2.6603

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O2	S1	F3	98.053	O2	S1	F4	98.053
O2	S1	F5	124.066	O2	S1	F6	124.066
F3	S1	F4	163.894	F3	S1	F5	85.499
F3	S1	F6	85.499	F4	S1	F5	85.499
F4	S1	F6	85.499	F5	S1	F6	111.867

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

using model chemistry: B3LYP/CEP-121G*

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
You are here: Calculated > Energy > Optimized > Energy

Number	Element	Mulliken
1	S	1.149
2	O	-0.265
3	F	-0.265
4	F	-0.265
5	F	-0.177
6	F	-0.177

	x	y	z	Total
	0.000	0.000	-0.878	0.878
CHELPG
AIM
ESP

<r²>	109.379
(<r²>)^1/2	10.458

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

using model chemistry: B3LYP/CEP-121G*

States and conformations

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