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	hartrees
Energy at 0K	-697.556170
Energy at 298.15K	-697.557266
HF Energy	-697.556170
Nuclear repulsion energy	187.461537

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	805	776	102.12
2	A'	557	537	11.64
3	A'	337	324	16.62
4	A'	161	155	11.09
5	A"	684	659	417.82
6	A"	430	414	1.21

Atom	x (Å)	y (Å)	z (Å)
S1	-0.331	-0.179	0.000
F2	1.249	0.097	0.000
F3	-0.331	0.110	1.672
F4	-0.331	0.110	-1.672

	S1	F2	F3	F4
S1		1.6033	1.6965	1.6965
F2	1.6033		2.2997	2.2997
F3	1.6965	2.2997		3.3432
F4	1.6965	2.2997	3.3432

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
F2	S1	F3	88.313		F2	S1	F4	88.313
F3	S1	F4	160.347

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

using model chemistry: B3PW91/6-311G**

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	1.006
2	F	-0.276
3	F	-0.365
4	F	-0.365

	x	y	z	Total
	-0.857	-0.682	0.000	1.096
CHELPG
AIM
ESP

	x	y	z
x	2.697	0.072	0.000
y	0.072	1.845	0.000
z	0.000	0.000	4.600

<r²>	86.659
(<r²>)^1/2	9.309

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

using model chemistry: B3PW91/6-311G**

States and conformations

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