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	hartrees
Energy at 0K	-81.408540
Energy at 298.15K	-81.409937
HF Energy	-81.408540
Nuclear repulsion energy	72.296311

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	941	845	133.73
2	A'	638	573	20.20
3	A'	409	368	26.02
4	A'	205	184	11.07
5	A"	753	676	695.27
6	A"	512	460	2.23

Atom	x (Å)	y (Å)	z (Å)
S1	-0.319	-0.209	0.000
F2	1.206	0.141	0.000
F3	-0.319	0.115	1.625
F4	-0.319	0.115	-1.625

	S1	F2	F3	F4
S1		1.5643	1.6565	1.6565
F2	1.5643		2.2282	2.2282
F3	1.6565	2.2282		3.2492
F4	1.6565	2.2282	3.2492

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
F2	S1	F3	87.500		F2	S1	F4	87.500
F3	S1	F4	157.470

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

using model chemistry: HF/CEP-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	1.010
2	F	-0.244
3	F	-0.383
4	F	-0.383

	x	y	z	Total
	-0.725	-0.688	0.000	1.000
CHELPG
AIM
ESP

	x	y	z
x	2.639	0.031	0.000
y	0.031	1.944	0.000
z	0.000	0.000	4.047

<r²>	67.259
(<r²>)^1/2	8.201

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

using model chemistry: HF/CEP-31G*

States and conformations

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