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	hartrees
Energy at 0K	-697.413241
Energy at 298.15K	-697.414153
HF Energy	-697.413241
Nuclear repulsion energy	176.862120

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	771	730	46.60
2	A'	561	531	10.44
3	A'	250	237	19.73
4	A'	198	188	13.24
5	A"	667	631	172.74
6	A"	327	310	3.03

Atom	x (Å)	y (Å)	z (Å)
S1	0.356	0.252	0.000
F2	-1.346	0.010	0.000
F3	0.356	-0.229	1.728
F4	0.356	-0.229	-1.728

	S1	F2	F3	F4
S1		1.7188	1.7939	1.7939
F2	1.7188		2.4372	2.4372
F3	1.7939	2.4372		3.4566
F4	1.7939	2.4372	3.4566

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
F2	S1	F3	87.840		F2	S1	F4	87.840
F3	S1	F4	148.907

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

using model chemistry: mPW1PW91/6-31G

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	1.100
2	F	-0.339
3	F	-0.381
4	F	-0.381

	x	y	z	Total
	1.368	1.229	0.000	1.839
CHELPG
AIM
ESP

	x	y	z
x	2.897	0.043	0.000
y	0.043	1.585	0.000
z	0.000	0.000	5.352

<r²>	94.344
(<r²>)^1/2	9.713

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

using model chemistry: mPW1PW91/6-31G

States and conformations

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