[molpro-user] optimization problem

[Berkay Sütay]

Dear molpro users,

i am trying to perform a geometry optimization for silver dimer with  
+2 charge  as Ag2(+2) and the internuclear distance as 3.199  
angstrom.I should use CCSD(T) in the basis aug-cc-pVTZ-DK and  
counterpoise correction as well. But, it always says that:

  Geometry optimization using default procedure for command
  ? Error
  ? No active variables
  ? The problem occurs in opt_init


my input is that:


memory,170,m
gthresh,energy=1d-8,orbital=1d-7
basis=aug-cc-pVTZ-DK
optg
angstrom
geomtyp=xyz
geometry={
  2
  ag1,0.0000000     0.0000000     0.0000000
  ag2,0.0000000     0.0000000     3.1990000}
int
! --- dimer ---
hf
e_dim_hf=energy
ccsd(t)
e_dim_mp2=emp2
e_dim_ccsd=energc
e_dim_ccsdt=energt(1)
! --- monomerA-CP  ---
dummy,ag2
hf
e_mA_CP_hf=energy
ccsd(t)
e_mA_CP_mp2=emp2
e_mA_CP_ccsd=energc
e_mA_CP_ccsdt=energt(1)
! --- monomerB-CP  ---
dummy,ag1
hf
e_mB_CP_hf=energy
ccsd(t)
e_mB_CP_mp2=emp2
e_mB_CP_ccsd=energc
e_mB_CP_ccsdt=energt(1)
e_int_hf = e_dim_hf - e_mA_CP_hf - e_mB_CP_hf
e_int_mp2 = e_dim_mp2 - e_mA_CP_mp2 - e_mB_CP_mp2
e_int_ccsd=e_dim_ccsd-e_mA_CP_ccsd-e_mB_CP_ccsd
e_int_ccsdt=e_dim_ccsdt-e_mA_CP_ccsdt-e_mB_CP_ccsdt



can you check it? what seems wrong?

regards

Berkay