where state1 and state2 specify the two states considered. (e.g., 2.1,3.1 for the second and third states in symmetry 1) Both states must have the same symmetry. record specifies a record on which the gradient information is stored (the default is 5101.1). This will be read in the subsequent gradient calculation. thresh is a threshold for the accuracy of the CP-MCSCF solution. The default is 1.d-7.
NADC and NADK are an aliases for NADC, and SAVE is an alias for RECORD.
The matrix elements for each atom are computed by a subsequent call to FORCES.
Note: this program is not yet extensively tested and should be used with care!