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*$Revision: 7.8 $
*-------------------------------------------------------------------------------
* Molecule: HCl
* Basis: ECP
* Symmetry: C2v
* Features tested: SEW,FFPT,SCF,MBPT2,RASSCF,CASPT2,SEW(prop)
* Responsible person: B. O. Roos 041227
* Comments: Test of ECP
*-------------------------------------------------------------------------------
>export MOLCAS_PRINT=VERBOSE
  &SEWARD  &END
Title
  HCl molecule
Symmetry
X Y
Basis set
Cl.ECP.HW.3s3p.2s2p.7e-LANL2DZ.
Cl     0.00000   0.00000   2.40000
End of basis
Basis set
H.ANO-L...3s2p.
H      0.00000   0.00000   0.00000
End of basis
ECPShow
End of input
*&GUESSORB
*-------------------------------------------------------------------------------
  &FFPT &END
TITLE
  Add a small electric field in the z direction
DIPO
Z 0.001
END OF INPUT
*-------------------------------------------------------------------------------
  &SCF &END
Title
  HCl molecule
Occupied
  2 1 1 0
End of input
*-------------------------------------------------------------------------------
  &MBPT2 &END
Title
  HCl molecule
Deleted
  0 0 0 0
End of Input
*-------------------------------------------------------------------------------
  &RASSCF &END
Title
  HCl molecule
Symmetry
  1
Spin
  1
nActEl
  6 0 0
CIroot
1 1
1
Inactive
  1 0 0 0
Ras2
  2 2 2 0
LumOrb
Thrs
1.0E-10 1.0E-7 1.0E-7
Iter
50,25
End of input
*-------------------------------------------------------------------------------
  &CASPT2 &END
Title
  HCl
MaxIterations
20
IPEA
0.0
End of input
*-------------------------------------------------------------------------------
>>LINK $Project.ScfOrb INPORB
 &SEWARD  &END
Title
  HCl molecule
Symmetry
X Y
Basis set
Cl.ECP.HW.3s3p.2s2p.7e-LANL2DZ.
Cl     0.00000   0.00000   2.40000
End of basis
Basis set
H.ANO-L...3s2p.
H      0.00000   0.00000   0.00000
End of basis
Vectors
OrbContributions
EFLD
  0
Multipoles
  3
End of input
*-------------------------------------------------------------------------------