WebMO Job Summary

526: H, Molecular Orbitals - Gaussian

Calculated Quantities

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Overview

Quantity Value
Route #N B3LYP/6-31G(d) SP GFINPUT POP=FULL Geom=Connectivity
Stoichiometry H(1+)
Symmetry OH
Basis 6-31G(d)
RB3LYP Energy 0 Hartree
Dipole Moment 0.0000 Debye
Server localhost (0)
CPU time 0.4 sec

Molecular Orbitals

Orbital Symmetry Occupancy Spin Energy Actions
1 A1G 0 - -0.49823 Ha
2 A1G 0 - 0.46093 Ha
Electron density
Electrostatic potential
Electrophilic (HOMO) frontier density
Nucleophilic (LUMO) frontier density
Radical frontier density

Quote

WE HAVE LEARNED THAT NOTHING IS SIMPLE AND RATIONAL EXCEPT WHAT WE OURSELVES HAVE INVENTED; THAT GOD THINKS IN TERMS NEITHER OF EUCLID OR RIEMANN; THAT SCIENCE HAS "EXPLAINED" NOTHING; THAT THE MORE WE KNOW THE MORE FANTASTIC THE WORLD BECOMES AND THE PROFOUNDER THE SURROUNDING DARKNESS. -- ALDOUS HUXLEY