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* $Revision: 7.8 $
*-------------------------------------------------------------------------------
* Molecule:H2O
* Basis:ano-s(DZP) + diffuse
* Symmetry: -
* Features tested: SEW,SCF,RASSCF,MCLR(time)
* Responsible person: B. O. Roos 041230
* Comments: Test of timdependent polarizabilities in MCLR
*-------------------------------------------------------------------------------
 &SEWARD &END  
Title                
water
*RASSCF OPTIMIZED GEO O.ANO-L...3s2P1d., H.ANO-L...2s1P.
Symmetry
x xy 
Basis set 
H.ano-s...2s1p.

 H              0.0000000000        1.4499030287        1.0033239388

End of basis

Basis set
O.ano-s...3s3p2d.

O              0.0000000000       0.0000000000        -0.1264370914

End of basis

Basis set
*Diffuse basis, charge 0, 2 prim, 2 contr, exponents 0.05 0.02 - Should be less 
*than a third of the largest exponenet in $MOLCAS/baslib
O..... / inline
 0.0 2   
 2 2
0.02 0.01
1.0 0.0
0.0 1.0
 2 2
0.01 0.005
1.0 0.0
0.0 1.0
 2 2
0.08 0.04
1.0 0.0
0.0 1.0
OX             0.0000000000       0.0000000000        -0.1264370914
End of Basis
End of input
*-------------------------------------------------------------------------------
 &SCF &END 
Title     
water           
Occupied 
3 0 2 0        
Thre
0.5d-10 0.5d-7 0.5d-7 0.2d-5
End of input
*-------------------------------------------------------------------------------
 &RASSCF &End
Lumorb
Iter
50 50
Inactive
 1 0 0 0
ras1
 0 0 0 0 
ras2
 4 0 2 2 
ras3
 0 0 0 0
nactel
8 0 0
Spin
   1
Symmetry
   1
Thrs
1.0e-8 1.0e-06 1.0e-06
End of input
*-------------------------------------------------------------------------------
 &MCLR &END
iter
100
timedep
0.2
Print
255
end of input
*-------------------------------------------------------------------------------