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	hartrees
Energy at 0K	-697.456438
Energy at 298.15K	-697.457815
HF Energy	-697.456438
Nuclear repulsion energy	191.288836

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	906	858	101.33
2	A'	653	618	14.07
3	A'	384	364	16.70
4	A'	212	200	7.95
5	A"	815	772	432.60
6	A"	476	451	2.87

Atom	x (Å)	y (Å)	z (Å)
S1	-0.324	-0.217	0.000
F2	1.226	0.126	0.000
F3	-0.324	0.130	1.622
F4	-0.324	0.130	-1.622

	S1	F2	F3	F4
S1		1.5878	1.6588	1.6588
F2	1.5878		2.2437	2.2437
F3	1.6588	2.2437		3.2441
F4	1.6588	2.2437	3.2441

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
F2	S1	F3	87.407		F2	S1	F4	87.407
F3	S1	F4	155.839

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

using model chemistry: M06-2X/6-31G*

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	1.089
2	F	-0.314
3	F	-0.388
4	F	-0.388

	x	y	z	Total
	-0.710	-0.661	0.000	0.970
CHELPG
AIM
ESP

	x	y	z
x	2.701	0.035	0.000
y	0.035	2.113	0.000
z	0.000	0.000	4.117

<r²>	82.844
(<r²>)^1/2	9.102

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

using model chemistry: M06-2X/6-31G*

States and conformations

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