WebMO Job Summary

255: HeHe, 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 He2
Symmetry D*H
Basis 6-31G(d)
RB3LYP Energy -5.46212202014 Hartree
Dipole Moment 0.0000 Debye
Server localhost (1805)
CPU time 0.6 sec

Rotational Constants

Constant Frequency (GHz) Frequency (cm-1)
a 0.0000000 0.00000000000
b 406.7702870 13.56839627366
c 406.7702870 13.56839627366

Molecular Orbitals

Orbital Symmetry Occupancy Spin Energy Actions
1 SGG 2 - -1.00211 Ha
2 SGU 2 - -0.3226 Ha
3 SGG 0 - 1.07502 Ha
4 SGU 0 - 1.17079 Ha
Electron density
Electrostatic potential
Electrophilic (HOMO) frontier density
Nucleophilic (LUMO) frontier density
Radical frontier density

Quote

FAULTILY FAULTLESS, ICILY REGULAR, SPLENDIDLY NULL... MAUDE BY TENNYSON