WebMO Job Summary

324067: Cl2, Natural Bond Orbitals 6.0/NRT - Gaussian

Calculated Quantities

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Overview

Quantity Value
Route #N B3LYP/6-311+G(2d,p) SP GFINPUT POP=(FULL,NBO6Read) Geom=Connectivit
Stoichiometry Cl2
Symmetry D*H
Basis 6-311+G(2d,p)
RB3LYP Energy -920.418594019 Hartree
Dipole Moment 0.0000 Debye
Server batch (331820)
CPU time 1.3 sec

Rotational Constants

Constant Frequency (GHz) Frequency (cm-1)
a 0.0000000 0.00000000000
b 6.9743424 0.23263902123
c 6.9743424 0.23263902123

Partial Charges

Atom Symbol Charge
1 Cl 0.000000  
2 Cl 0.000000  

Molecular Orbitals

Display Range - / 70  
Orbital Symmetry Occupancy Energy Actions
Electron density
Electrostatic potential
Electrophilic (HOMO) frontier density
Nucleophilic (LUMO) frontier density
Radical frontier density

Natural Population Analysis

Atom Symbol Charge
1 Cl 0.00000  
2 Cl 0.00000  

Natural Atomic Orbitals

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Orbital Description Occupancy Energy Actions

Natural Hybrid Orbitals

Display Range - / 70  
Orbital Description Occupancy Energy Actions

Natural Bond Orbitals

Display Range - / 70  
Orbital Description NHOs Occupancy Energy Actions

Quote

YE HAVE SOWN MUCH, AND BRING IN LITTLE. YE EAT, BUT YE HAVE NOT ENOUGH. YE DRINK, BUT YE ARE NOT FILLED WITH DRINK. YE CLOTHE YOU, BUT THERE IS NONE WARM. AND HE THAT EARNETH WAGES EARNETH WAGES TO PUT IT INTO A BAG WITH HOLES. HAGGAI I,6