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 &INPUT  PRNTLV=3,      ISIGPR=1,  ISCRU=1,   ISAVEU=00,    
  LABEL='     TEST  MOLSCAT -- ITYPE=2 MOCK-UP           ',
  URED=20.,                                               
  RMIN=0.5, IRMSET=8,RMAX=10., IRXSET=1,                 
  INTFLG=8, STEPS=5., RVFAC=1.05, RMID= 0.0, DRAIRY=-1.0,  TOLHI=1.05,
  NNRG=2, ENERGY=1250., 1000.,                        
  JTOTL=10,JTOTU=40, JSTEP=10,  LASTIN=0,            
 &END                                               
 &BASIS  ITYPE=22,  BE=30., WE=1200.,              
         NLEVEL= 6, JLEVEL=0,0, 2,0, 4,0, 6,0, 0,1, 2,1,  
         JZCSMX=2,                                       
 &END                                                   
 &POTL MXSYM=6, LAMBDA=0,0,0, 2,0,0, 0,1,1, 2,1,1, 0,1,0, 2,1,0, 
  NTERM=2,1, 2,1, 1,1,                                          
  NPOWER=-12, -6, -6, -12, -6, -6, -12, -12,                   
  A=1., -2., -0.2, 1.1, -2.2, -0.4, 0.1, 0.01,                
  RM=3.5,     EPSIL=50.,                                     
 &END                                                       
 &INPUT  PRNTLV=3,      ISIGPR=1,  ISCRU=1,   ISAVEU=00,   
  LABEL='    TEST  MOLSCAT -- ITYPE=2 MOCK-UP  -- * IOS *',  
  URED=20.,                                                 
  RMIN=0.5, IRMSET=8,RMAX=10., IRXSET=1,                   
  INTFLG=-1, NGMP=18,1,22, TOL=.002,                      
  INTFLG=8, STEPS=5., RVFAC=1.05, RMID= 0.0, DRAIRY=-1.0,  TOLHI=1.05, 
  NNRG=1, ENERGY=1250.,                                               
  JTOTL=10,JTOTU=40, JSTEP=10, LMAX=11,   LASTIN=0,                  
 &END                                                               
 &BASIS  ITYPE=22,  BE=30., WE=1200.,                              
         NLEVEL= 6, JLEVEL=0,0, 2,0, 4,0, 6,0, 0,1, 2,1,          
         JZCSMX=2,                                               
         ITYPE=102,  IOSNGP= 8,                                 
 &END                                                          
 &POTL MXSYM=6, LAMBDA=0,0,0, 2,0,0, 0,1,1, 2,1,1, 0,1,0, 2,1,0,   
  NTERM=2,1, 2,1, 1,1,                                            
  NPOWER=-12, -6, -6, -12, -6, -6, -12, -12,                     
  A=1., -2., -0.2, 1.1, -2.2, -0.4, 0.1, 0.01,                  
  RM=3.5,     EPSIL=50.,                                       
 &END                                                         
Modified: Wed Mar 8 17:00:00 1995 GMT
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