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	hartrees
Energy at 0K	-697.489076
Energy at 298.15K	-697.489889
HF Energy	-697.489076
Nuclear repulsion energy	175.182097

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	744	715	44.30
2	A'	540	519	9.35
3	A'	233	224	18.45
4	A'	186	179	12.11
5	A"	641	617	160.85
6	A"	312	300	2.49

Atom	x (Å)	y (Å)	z (Å)
S1	0.360	0.237	0.000
F2	-1.361	0.045	0.000
F3	0.360	-0.233	1.748
F4	0.360	-0.233	-1.748

	S1	F2	F3	F4
S1		1.7318	1.8101	1.8101
F2	1.7318		2.4688	2.4688
F3	1.8101	2.4688		3.4962
F4	1.8101	2.4688	3.4962

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
F2	S1	F3	88.352		F2	S1	F4	88.352
F3	S1	F4	149.928

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

using model chemistry: B3LYP/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	1.059
2	F	-0.327
3	F	-0.366
4	F	-0.366

	x	y	z	Total
	1.354	1.151	0.000	1.777
CHELPG
AIM
ESP

	x	y	z
x	2.967	0.008	0.000
y	0.008	1.576	0.000
z	0.000	0.000	5.516

<r²>	95.995
(<r²>)^1/2	9.798

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

using model chemistry: B3LYP/6-31G

States and conformations

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