WebMO Job Summary

15: 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(2)
Symmetry OH
Basis 6-31G(d)
UB3LYP Energy -0.500272784186 Hartree
Dipole Moment 0.0000 Debye
Server localhost (15804)
CPU time 0.5 sec

Molecular Orbitals

Orbital Symmetry Occupancy Spin Energy Actions
1 A1G 1 α -0.31617 Ha
2 A1G 0 α 0.7109 Ha
3 A1G 0 α 0.06729 Ha
4 A1G 0 α 1.07729 Ha
Electron density
Electrostatic potential
Electrophilic (HOMO) frontier density
Nucleophilic (LUMO) frontier density
Radical frontier density

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