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	hartrees
Energy at 0K	-861.167715
Energy at 298.15K	-861.169550
HF Energy	-861.167715
Nuclear repulsion energy	373.522933

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1040	919	59.62
2	A₁	656	580	9.67
3	A₁	600	530	0.53
4	A₁	356	315	16.10
5	A₁	73	64	0.48
6	A₂	341	301	0.00
7	B₁	791	698	78.51
8	B₁	336	297	14.94
9	B₁	127	112	2.33
10	B₂	913	806	149.24
11	B₂	392	346	22.47
12	B₂	343	303	0.44

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.162
O2	0.000	0.000	1.760
F3	0.000	1.718	-0.100
F4	0.000	-1.718	-0.100
F5	1.437	0.000	-0.827
F6	-1.437	0.000	-0.827

	S1	O2	F3	F4	F5	F6
S1		1.5974	1.7382	1.7382	1.7441	1.7441
O2	1.5974		2.5319	2.5319	2.9585	2.9585
F3	1.7382	2.5319		3.4366	2.3547	2.3547
F4	1.7382	2.5319	3.4366		2.3547	2.3547
F5	1.7441	2.9585	2.3547	2.3547		2.8732
F6	1.7441	2.9585	2.3547	2.3547	2.8732

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O2	S1	F3	98.675	O2	S1	F4	98.675
O2	S1	F5	124.541	O2	S1	F6	124.541
F3	S1	F4	162.649	F3	S1	F5	85.094
F3	S1	F6	85.094	F4	S1	F5	85.094
F4	S1	F6	85.094	F5	S1	F6	110.919

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

using model chemistry: B1B95/STO-3G

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	0.966
2	O	-0.321
3	F	-0.177
4	F	-0.177
5	F	-0.145
6	F	-0.145

	x	y	z	Total
	0.000	0.000	-0.839	0.839
CHELPG
AIM
ESP

<r²>	149.253
(<r²>)^1/2	12.217

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

using model chemistry: B1B95/STO-3G

States and conformations

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