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	hartrees
Energy at 0K	-697.342938
Energy at 298.15K	-697.343889
HF Energy	-697.342938
Nuclear repulsion energy	186.406622

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	792	786	93.73
2	A'	542	539	7.01
3	A'	322	319	9.23
4	A'	94	93	6.43
5	A"	691	686	418.82
6	A"	423	421	0.19

Atom	x (Å)	y (Å)	z (Å)
S1	-0.326	-0.162	0.000
F2	1.230	0.254	0.000
F3	-0.326	0.017	1.695
F4	-0.326	0.017	-1.695

	S1	F2	F3	F4
S1		1.6106	1.7048	1.7048
F2	1.6106		2.3135	2.3135
F3	1.7048	2.3135		3.3908
F4	1.7048	2.3135	3.3908

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
F2	S1	F3	88.453		F2	S1	F4	88.453
F3	S1	F4	167.999

All results from a given calculation for SF₃ (Sulfur trifluoride)

using model chemistry: PBEPBE/cc-pVTZ

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	0.695
2	F	-0.161
3	F	-0.267
4	F	-0.267

	x	y	z	Total
	-0.510	-0.397	0.000	0.646
CHELPG
AIM
ESP

	x	y	z
x	3.209	0.203	0.000
y	0.203	2.370	0.000
z	0.000	0.000	5.216

<r²>	87.487
(<r²>)^1/2	9.353

All results from a given calculation for SF3 (Sulfur trifluoride)

using model chemistry: PBEPBE/cc-pVTZ

States and conformations

All results from a given calculation for SF₃ (Sulfur trifluoride)