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	hartrees
Energy at 0K	-697.536143
Energy at 298.15K	-697.537394
HF Energy	-697.536143
Nuclear repulsion energy	189.925923

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	869	824	93.19
2	A'	621	589	11.82
3	A'	359	341	13.76
4	A'	184	175	7.03
5	A"	780	740	391.60
6	A"	452	429	2.24

Atom	x (Å)	y (Å)	z (Å)
S1	-0.328	-0.202	0.000
F2	1.238	0.112	0.000
F3	-0.328	0.124	1.638
F4	-0.328	0.124	-1.638

	S1	F2	F3	F4
S1		1.5966	1.6698	1.6698
F2	1.5966		2.2656	2.2656
F3	1.6698	2.2656		3.2754
F4	1.6698	2.2656	3.2754

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
F2	S1	F3	87.804		F2	S1	F4	87.804
F3	S1	F4	157.500

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	1.042
2	F	-0.300
3	F	-0.371
4	F	-0.371

	x	y	z	Total
	-0.664	-0.588	0.000	0.887
CHELPG
AIM
ESP

	x	y	z
x	2.773	0.053	0.000
y	0.053	2.091	0.000
z	0.000	0.000	4.290

<r²>	83.844
(<r²>)^1/2	9.157

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)