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	hartrees
Energy at 0K	-748.241946
Energy at 298.15K	-748.244651
HF Energy	-748.241946
Nuclear repulsion energy	283.935129

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1221	1171	159.40
2	A₁	813	780	104.12
3	A₁	501	481	23.60
4	A₁	340	326	0.00
5	A₂	337	323	0.00
6	B₁	867	832	217.85
7	B₁	482	462	19.77
8	B₂	1448	1390	240.86
9	B₂	491	471	29.16

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.169
O2	0.000	1.263	0.827
O3	0.000	-1.263	0.827
F4	1.156	0.000	-0.886
F5	-1.156	0.000	-0.886

	S1	O2	O3	F4	F5
S1		1.4246	1.4246	1.5645	1.5645
O2	1.4246		2.5266	2.4219	2.4219
O3	1.4246	2.5266		2.4219	2.4219
F4	1.5645	2.4219	2.4219		2.3116
F5	1.5645	2.4219	2.4219	2.3116

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O2	S1	O3	124.945	O2	S1	F4	108.149
O2	S1	F5	108.149	O3	S1	F4	108.149
O3	S1	F5	108.149	F4	S1	F5	95.251

All results from a given calculation for SO₂F₂ (Sulfuryl fluoride)

using model chemistry: TPSSh/6-31G*

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	1.335
2	O	-0.410
3	O	-0.410
4	F	-0.257
5	F	-0.257

	x	y	z	Total
	0.000	0.000	-0.891	0.891
CHELPG
AIM
ESP

<r²>	97.691
(<r²>)^1/2	9.884

All results from a given calculation for SO2F2 (Sulfuryl fluoride)

using model chemistry: TPSSh/6-31G*

States and conformations

All results from a given calculation for SO₂F₂ (Sulfuryl fluoride)