The number of electrons and the total symmetry of the wavefunction are specified
on the WF card:
- is the number of electrons
- is the number of the irreducible representation
- defines the spin symmetry, spin (singlet=0, doublet=1, triplet=2, etc.)
The WF card must be placed after any cards defining the orbital spaces
OCC, CORE, CLOSED.
The REF card can be used to define further reference symmetries used for
generating the configuration space, see REF.