WebMO Job Summary

609261: C5H9(+1), 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 C5H9(1+)
Symmetry CS
Basis 6-31G(d)
RB3LYP Energy -195.628725795 Hartree
Dipole Moment 0.2413 Debye
Server default (2753796)
CPU time 23.5 sec

Rotational Constants

Constant Frequency (GHz) Frequency (cm-1)
a 7.6837460 0.25630217822
b 3.7682612 0.12569566376
c 2.6117643 0.08711907956

Molecular Orbitals

Display Range - / 93  
Orbital Symmetry Occupancy Energy Actions
Electron density
Electrostatic potential
Electrophilic (HOMO) frontier density
Nucleophilic (LUMO) frontier density
Radical frontier density

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