Hints on the structure of the input for the
**WAVE FUNCTION   input module

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