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* $Revision: 7.8 $
*-------------------------------------------------------------------------------
* Molecule: H2O
* Basis: from mb tp vtzp
* Features tested: EXPBAS
* Responsible person: B. O. Roos 080417
*-------------------------------------------------------------------------------
 &GATEWAY
coord 
 3
 
O  0.000000  0.000000  0.000000
H1 0.587700  0.759100  0.000000
H2 0.587700 -0.759100  0.000000 
basis
ANO-RCC-MB
 &SEWARD
 &SCF
Title
 H2O molecule in minimal basis set.

>>COPY $Project.ScfOrb INP1
>>COPY $Project.RunFile RUNFIL1
>>RM $Project.RunFile

 &GATEWAY
coord 
 3
 
O  0.000000  0.000000  0.000000
H1 0.587700  0.759100  0.000000
H2 0.587700 -0.759100  0.000000 
basis
ANO-RCC-VTZP
 &SEWARD
 &SCF
Title
 H2O molecule in DZP basis set.

>>COPY $Project.RunFile RUNFIL2
>>COPY INP1 INPORB
>>RM $Project.RunFile

 &EXPBAS
>>COPY $Project.ExpOrb INPORB

 &GATEWAY
coord 
 3
 
O  0.000000  0.000000  0.000000
H1 0.587700  0.759100  0.000000
H2 0.587700 -0.759100  0.000000 
basis
ANO-RCC-VTZP
 &SEWARD
 &SCF
Title
 H2O molecule in DZP basis set with start vectors.
LumOrb