[molpro-user] difference gradients for SA-MCSCF

[liuxj at iccas.ac.cn]

Dear users 

I have get the difference gradients for 3N coordinates but I want to change
them to the difference gradients for Z-maxtrix variables. 

Here is the dgrad for 3N
SA-MC DIFF. GRADIENT FOR STATES 2.1 - 1.1

Atom          dE/dx               dE/dy               dE/dz

  1        -0.000000002        -0.006200955         0.000000000
  2         0.000000002         0.006200955         0.000000000

Thanks a lot !