> EXPORT MOLCAS_MOLDEN=ON

> COPY $InpDir/$Project.xyz $WorkDir
> COPY $InpDir/$Project.key $WorkDir
> COPY $InpDir/melacu63.prm $WorkDir
> COPY $InpDir/$Project.JobIph $WorkDir

> EXPORT CONT=1

>   export MOLCAS_MAXITER = 100
>   Do   while

   &SEWARD
    DoAnalytical
   &ESPF
    External = Tinker
    lamorok
   &RASSCF; spin=1; nActEl=12   0   0;   Inactive=76;   Ras2=12
   JobIph; ciroot = 3 3 1; rlxroot = 2

> COPY $WorkDir/$Project.JobIph $InpDir
> COPY $Project.JobIph $Project.JobOld
> COPY $WorkDir/$Project.RunFile $InpDir

   &ALASKA
   &SLAPAF
    prfc
    FindTS
 TSConstraints
    d1  =  Dihedral  C26 C27 C28 C29
    d2  =  Dihedral  H46 C27 C28 C34
 Values
    d1 = -89.9 degrees
    d2 = -89.9 degrees
 End of TSConstraints
    maxstep = 0.1
    cartesian
    rHidden = 10.0

> COPY $WorkDir/$Project.xyz $InpDir/$Project.Final.xyz
> COPY $WorkDir/$Project.Espf.Data $InpDir

> EXPORT EST=00$CONT
> If ( -FILE $Project.$EST )
> COPY $WorkDir/$Project.$EST $InpDir
> EndIf

> EXPORT EST=0$CONT
> If ( -FILE $Project.$EST )
> COPY $WorkDir/$Project.$EST $InpDir
> EndIf

> EVAL CONT=$CONT+1