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	hartrees
Energy at 0K	-697.589776
Energy at 298.15K	-697.590470
HF Energy	-697.589776
Nuclear repulsion energy	173.751850

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	706	679	55.29
2	A'	501	482	12.12
3	A'	227	218	21.99
4	A'	182	175	14.71
5	A"	556	534	192.47
6	A"	308	296	1.31

Atom	x (Å)	y (Å)	z (Å)
S1	0.361	0.210	0.000
F2	-1.364	0.128	0.000
F3	0.361	-0.251	1.772
F4	0.361	-0.251	-1.772

	S1	F2	F3	F4
S1		1.7266	1.8307	1.8307
F2	1.7266		2.5014	2.5014
F3	1.8307	2.5014		3.5434
F4	1.8307	2.5014	3.5434

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
F2	S1	F3	89.314		F2	S1	F4	89.314
F3	S1	F4	150.831

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

using model chemistry: B3LYP/SDD

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	1.143
2	F	-0.351
3	F	-0.396
4	F	-0.396

	x	y	z	Total
	1.509	1.214	0.000	1.937
CHELPG
AIM
ESP

	x	y	z
x	3.077	-0.087	0.000
y	-0.087	1.496	0.000
z	0.000	0.000	6.094

<r²>	98.300
(<r²>)^1/2	9.915

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

using model chemistry: B3LYP/SDD

States and conformations

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