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* $Revision: 7.8 $ 
*performance test 902
*Responsible person: Per-Aake Malmqvist
*Testing: SEWARD, RASSCF, CASPT2 for C24
*Runtime: about 6.5 min.
*-------------------------------------------------------------------------------
*
*C24: 
*
*
*-------------------------------------------------------------------------------
>>export MOLCAS_MOLDEN=OFF
>>export MOLCAS_NOCHECK=POTNUC,SEWARD_MLTPL1X,SEWARD_KINETIC,SEWARD_ATTRACT

*-------------------------------------------------------------------------------
 &SEWARD  &END
Title
 C24 molecule
Symmetry
 xy xz 
*-------------------------------------------------------------------------------
Basis set
C.ano-s...3s2p.
C1    2.5554693883    0.6847359589    3.1247653684 
C2    0.6847359589    2.5554693883    3.1247653684 
C3   -1.8707334294    1.8707334294    3.1247653684 
C4    3.8332040825    1.0271039383    0.8335941950 
C5    1.0271039383    3.8332040825    0.8335941950 
C6   -2.8061001442    2.8061001442    0.8335941950 
End of basis
*-------------------------------------------------------------------------------
NOGUess
End of input
*-------------------------------------------------------------------------------
>>export MOLCAS_NOCHECK=SCF_ITER,RASSCF_ITER,MLTPL
 &SCF &END
Title
 C24 molecule
*Occupied
* 18 18 17 18
charge 
2
Iteration
  45
End of input
*-------------------------------------------------------------------------------
 &RASSCF &END
Title
 C24 molecule.
Symmetry
 1
Spin 
 1
nActEl
  2 0 0
Inactive
 19 18 16 18 
Ras2    
  0  1  0  1
LumOrb
Iterations
 50 50
End of input

Levshft
0.50
*-------------------------------------------------------------------------------
 &CASPT2 &END                                                                   
Title                                                                           
 C24 molecule
Frozen
 6 6 6 6
MaxIterations                                                                   
50                                                                              
End of input                                                                    
*-------------------------------------------------------------------------------