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	hartrees
Energy at 0K	-672.914772
Energy at 298.15K	-672.909896
HF Energy	-673.087427
Nuclear repulsion energy	192.281046

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1335	1288	131.60
2	A'	806	778	146.61
3	A'	515	497	20.14
4	A'	357	344	2.95
5	A"	753	727	166.92
6	A"	381	368	3.56

Atom	x (Å)	y (Å)	z (Å)
S1	0.247	0.358	0.000
O2	-1.052	0.956	0.000
F3	0.247	-0.743	1.163
F4	0.247	-0.743	-1.163

	S1	O2	F3	F4
S1		1.4298	1.6015	1.6015
O2	1.4298		2.4342	2.4342
F3	1.6015	2.4342		2.3253
F4	1.6015	2.4342	2.3253

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	S1	F3	107.005		O2	S1	F4	107.005
F3	S1	F4	93.908

All results from a given calculation for F₂SO (Thionyl Fluoride)

using model chemistry: G4

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	0.411
2	O	-0.183
3	F	-0.114
4	F	-0.114

	x	y	z	Total
	1.519	0.263	0.000	1.541
CHELPG
AIM
ESP

<r²>	71.619
(<r²>)^1/2	8.463

All results from a given calculation for F2SO (Thionyl Fluoride)

using model chemistry: G4

States and conformations

All results from a given calculation for F₂SO (Thionyl Fluoride)