WebMO Job Summary
15: H, Molecular Orbitals - Gaussian
Raw Output
Save Notes
Calculated Quantities
Expand all
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
Show all
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
Quote
The number of Unix installations has grown to 10, with more expected. -- The Unix Programmer's Manual, 2nd Edition, June, 1972.