The following list attempts to show the interdependence of the various input modules through indentation (*R*: required input) :
**WAVE FUNCTION .TITLE .NSYM (1) .HF *HF INPUT .HF OCCUPATION ... *ORBITAL INPUT (3) *STEP CONTROL (if QCHF) .MP2 *MP2 INPUT *ORBITAL INPUT (3) *HF INPUT .HF OCCUPATION .CI *CONFIGURATION INPUT (2) *ORBITAL INPUT (3) *CI VECTOR (4) *CI INPUT .MCSCF *CONFIGURATION INPUT (2) *ORBITAL INPUT (3) *CI VECTOR (4) *OPTIMIZATION *STEP CONTROL .STOP .RESTART .INTERFACE .PRINT *HAMILTONIAN *TRANSFORMATION *POPULATION ANALYSIS *PRINT LEVELS *AUXILLIARY INPUT
Notes:
(1) NSYM is normally provided by the integral module. May be provided for consistency checking. (2) *CONFIGURATION INPUT .SPIN MULTIPLICITY (*R*) .SYMMETRY (*R*) .INACTIVE ORBITALS (*R*) .ELECTRONS (*R*) Either .CAS SPACE or some or all of .RAS1 SPACE .RAS2 SPACE .RAS3 SPACE .RAS1 HOLES or .RAS1 ELECTRONS .RAS3 ELECTRONS are required. (3) *ORBITAL INPUT .MOSTART (*R*) .SYMMETRIC ORTHONORMALIZATION .GRAM-SCHMIDT ORTHONORMALIZATION .AVERAGE .FROZEN CORE ORBITALS .FREEZE ORBITALS .5D7F9G .AO DELETE .DELETE .REORDER MO'S .PUNCHINPUTORBITALS .PUNCHOUTPUTORBITALS (4) *CI VECTOR One and only one of the following three .STARTHDIAGONAL .STARTOLDCI .SELECT CONFIGURATION .CNO START