Print some of the working in subroutine DERIV. Quantities printed are:
(A) The geometry using in the derivative calculation.
(B) The gradients of the coordinates flagged for optimization. Units: kcal/mol/Angstrom and kcal/mol/radian (for angles and dihedrals) These are the complete gradients, that is, the gradients of the SCF energy plus any post-SCF quantities such as dispersion and hydrogen bonding.
These are the values that will be passed back from subroutine DERIV.
(C) The values of the coordinates flagged for optimization. Units: Angstroms and radians.
Some of the working in subroutines within DERIV can be printed, see DCART and DERNVO,