WebMO Job Summary

324028: N, 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 N(4)
Symmetry OH
Basis 6-311+G(2d,p)
UB3LYP Energy -54.6007233624 Hartree
Dipole Moment 0.0000 Debye
Server batch (331781)
CPU time 1.1 sec

Partial Charges

Atom Symbol Charge
1 N 0.000000  

Molecular Orbitals

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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 N -1.50000  

Natural Population Analysis

Atom Symbol Charge
1 N 1.50000  

Natural Atomic Orbitals

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Orbital Description Occupancy Energy Actions

Natural Hybrid Orbitals

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Orbital Description Occupancy Energy Actions

Natural Bond Orbitals

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Orbital Description NHOs Occupancy Energy Actions

Quote

HERE WE GO...... SLIDING DOWN THE RAZOR BLADE OF LIFE...... TOM LEHRER