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	hartrees
Energy at 0K	-309.521667
Energy at 298.15K	-309.522390
HF Energy	-309.521667
Nuclear repulsion energy	94.025355

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	708	681	51.42
2	A'	511	492	12.08
3	A'	229	220	22.17
4	A'	181	174	15.69
5	A"	583	561	193.65
6	A"	310	298	1.56

Atom	x (Å)	y (Å)	z (Å)
S1	0.362	0.217	0.000
F2	-1.369	0.080	0.000
F3	0.362	-0.233	1.775
F4	0.362	-0.233	-1.775

	S1	F2	F3	F4
S1		1.7367	1.8316	1.8316
F2	1.7367		2.4995	2.4995
F3	1.8316	2.4995		3.5510
F4	1.8316	2.4995	3.5510

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
F2	S1	F3	88.887		F2	S1	F4	88.887
F3	S1	F4	151.564

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

using model chemistry: B3LYP/LANL2DZ

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	1.110
2	F	-0.336
3	F	-0.387
4	F	-0.387

	x	y	z	Total
	1.500	1.225	0.000	1.937
CHELPG
AIM
ESP

	x	y	z
x	3.059	-0.012	0.000
y	-0.012	1.167	0.000
z	0.000	0.000	6.103

<r²>	96.308
(<r²>)^1/2	9.814

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

using model chemistry: B3LYP/LANL2DZ

States and conformations

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