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GAMESS Problem Specifications

Global chemical controls

Wavefunction Type:
Computation Type:
Coordinates:
Spin Multiplicity:
NZVAR:
Molecular Charge
Execution Type: run check debug
MP Level: 0 2
ECP: none read SBK HW
Units: Angs Bohr
Local: none BOYS
RUEDNBRG POP
CI type none GUGA
Additional Parameters

Basis Set

Set
NGAUSS NDFUNC
NPFUNC
Pol. Exp.:
Additional Parameters

System Parameters

max. Time (min)
max. Memory (words)
KDIAG vector or EVVRSP
EVVRSP GIVEIS
JACOBI
Additional Parameters

Initial Orbit Data

GUESS:
Additional Parameters

Enter any add-ons here:

Data

Title

enter the coordinates here: