User`s guide

3. Running Jobs
Entry Choices
Job Name arbitrary name describing the calculation
Molecular Energy
Geometry Optimization
Vibrational Frequencies
Transition State Optimization
IRC Calculation
Molecular Orbitals
Calculation
Other
RHF
UHF
GVF
Theory
Other
Minimal: STO-3G
Basic: 3-21G
Routine: 6-31G(d)
Accurate: 6-311+G(d,p)
MNDO
AM1
PM3
Basis Set
Other
Charge ..., -2, -1, 0, 1, 2, ...
Multiplicity Singlet, ..., Sextet
Preview Input File view and optionally edit input file
Configure Gamess Job Options Choices
Advanced Gamess Options Page
The symmetry of the molecule may be specified with Symmetry Group and Order of n-fold
axis. A Solvent may be specified, although this significantly increases the calculation time. The
default specification of molecular geometry is with a z-matrix; however, Cartesian Coordinates
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