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	hartrees
Energy at 0K	-697.361321
Energy at 298.15K	-697.362513
HF Energy	-697.361321
Nuclear repulsion energy	190.542680

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	863	829	104.92
2	A'	584	561	11.37
3	A'	362	348	12.40
4	A'	153	147	6.71
5	A"	712	684	537.76
6	A"	466	448	0.62

Atom	x (Å)	y (Å)	z (Å)
S1	-0.321	-0.188	0.000
F2	1.211	0.188	0.000
F3	-0.321	0.073	1.650
F4	-0.321	0.073	-1.650

	S1	F2	F3	F4
S1		1.5770	1.6709	1.6709
F2	1.5770		2.2545	2.2545
F3	1.6709	2.2545		3.3007
F4	1.6709	2.2545	3.3007

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
F2	S1	F3	87.867		F2	S1	F4	87.867
F3	S1	F4	162.029

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

using model chemistry: PBE1PBE/aug-cc-pVTZ

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	1.232
2	F	-0.361
3	F	-0.435
4	F	-0.435

	x	y	z	Total
	-0.500	-0.514	0.000	0.717
CHELPG
AIM
ESP

	x	y	z
x	3.727	0.116	0.000
y	0.116	3.110	0.000
z	0.000	0.000	5.398

<r²>	84.427
(<r²>)^1/2	9.188

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

using model chemistry: PBE1PBE/aug-cc-pVTZ

States and conformations

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