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	hartrees
Energy at 0K	-82.628502
Energy at 298.15K	-82.629556
HF Energy	-82.628502
Nuclear repulsion energy	69.825389

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	812	784	102.37
2	A'	564	545	10.53
3	A'	331	319	14.13
4	A'	144	139	9.22
5	A"	706	682	464.92
6	A"	429	414	0.64

Atom	x (Å)	y (Å)	z (Å)
S1	-0.332	-0.175	0.000
F2	1.254	0.141	0.000
F3	-0.332	0.085	1.688
F4	-0.332	0.085	-1.688

	S1	F2	F3	F4
S1		1.6176	1.7079	1.7079
F2	1.6176		2.3173	2.3173
F3	1.7079	2.3173		3.3762
F4	1.7079	2.3173	3.3762

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
F2	S1	F3	88.300		F2	S1	F4	88.300
F3	S1	F4	162.524

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

using model chemistry: B3LYP/CEP-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	0.781
2	F	-0.190
3	F	-0.296
4	F	-0.296

	x	y	z	Total
	-0.700	-0.572	0.000	0.904
CHELPG
AIM
ESP

	x	y	z
x	2.952	0.134	0.000
y	0.134	1.952	0.000
z	0.000	0.000	4.958

<r²>	70.843
(<r²>)^1/2	8.417

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

using model chemistry: B3LYP/CEP-31G*

States and conformations

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