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	hartrees
Energy at 0K	-697.691447
Energy at 298.15K	-697.692464
HF Energy	-697.691447
Nuclear repulsion energy	184.702138

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	817	793	99.08
2	A'	560	543	9.43
3	A'	315	306	12.11
4	A'	131	127	9.58
5	A"	695	674	512.12
6	A"	410	398	0.20

Atom	x (Å)	y (Å)	z (Å)
S1	-0.332	-0.176	0.000
F2	1.252	0.185	0.000
F3	-0.332	0.064	1.706
F4	-0.332	0.064	-1.706

	S1	F2	F3	F4
S1		1.6246	1.7228	1.7228
F2	1.6246		2.3312	2.3312
F3	1.7228	2.3312		3.4121
F4	1.7228	2.3312	3.4121

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
F2	S1	F3	88.227		F2	S1	F4	88.227
F3	S1	F4	163.998

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

using model chemistry: B3LYP/aug-cc-pVDZ

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	1.268
2	F	-0.389
3	F	-0.439
4	F	-0.439

	x	y	z	Total
	-0.699	-0.591	0.000	0.915
CHELPG
AIM
ESP

	x	y	z
x	3.821	0.152	0.000
y	0.152	2.999	0.000
z	0.000	0.000	5.967

<r²>	89.210
(<r²>)^1/2	9.445

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

using model chemistry: B3LYP/aug-cc-pVDZ

States and conformations

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