%MEM=171000MB
%NPROCSHARED=40
%chk=water_g09
#P HF/LANL2MB   vshift=800   SP  G09Defaults
#  SCFCyc=180 SCF=(novaracc) 5d 7f
 
water_g09, geometry optimizatio + frequencies LANL2DZ
 
0    1
O     0.000000     0.000000    -0.114681
H     0.000000     0.795629     0.458726
H     0.000000    -0.795629     0.458726 
 
 
--link1--
%NPROCSHARED=40
%MEM=171000MB
%chk=water_g09
#P OLYP/LANL2MB   vshift=800   
# geom=check guess=read  G09Defaults
#  SCFCyc=280 SCF=(novaracc) sp 5d 7f
 
water_g09, geometry optimizatio + frequencies LANL2DZ
 
0    1
 
 
 
--link1--
%NPROCSHARED=40
%MEM=171000MB
%chk=water_g09
#P OLYP/LANL2DZ   vshift=500   
#  geom=check guess=read  G09Defaults
#  SCFCyc=180 SCF=(novaracc) sp 5d 7f
 
water_g09, geometry optimizatio + frequencies LANL2DZ
 
0    1
 
 
 
--link1--
%NPROCSHARED=40
%MEM=171000MB
%chk=water_g09
#P OLYP/LANL2DZ   vshift=200   
# geom=check guess=read  G09Defaults
# SCFCyc=280 SCF=(novaracc) freq 5d 7f
 
water_g09, geometry optimizatio + frequencies LANL2DZ
 
0    1
 
 
 
--link1--
%NPROCSHARED=40
%MEM=171000MB
%chk=water_g09
#P OLYP/LANL2DZ/AUTO   vshift=200 5d 7f  
# iop(1/19=5) geom=check guess=read  G09Defaults
#  SCFCyc=280 SCF=(novaracc) opt=(ReadFC,loose,MaxCycle=220)
# int(grid=sg1)
 
water_g09, geometry optimizatio + frequencies LANL2DZ
 
0    1
 
 
 
--link1--
%NPROCSHARED=40
%MEM=171000MB
%chk=water_g09
#P OLYP/LANL2DZ   vshift=200 5d 7f  G09Defaults
# iop(1/19=11) geom=check guess=read
#  SCFCyc=180 SCF=(novaracc) opt=(CalcFC,MaxCycle=220)
 
water_g09, geometry optimizatio + frequencies LANL2DZ
 
0    1
 
 
 
--link1--
%NPROCSHARED=40
%MEM=171000MB
%chk=water_g09
#P OLYP/LANL2DZ   vshift=100 5d 7f  G09Defaults 
# geom=check guess=read punch=Derivatives
#  SCFCyc=180 SCF=(novaracc) freq
 
water_g09, geometry optimizatio + frequencies LANL2DZ
 
0    1
 
 
 
--link1--
%NPROCSHARED=40
%MEM=171000MB
%chk=water_g09
#P B3LYP/GenECP SP vshift=100 gfinput pop=(Regular,NBORead)  
#  geom=check  SCF=(novaracc,Conver=5) guess=read
#  SCFCyc=80 5d 7f  G09Defaults
 
water_g09, geometry optimizatio + frequencies LANL2DZ
 
0    1
 
1 0
 S   7  1.00
       7817.00000         0.117600000E-02
       1176.00000         0.896800000E-02
       273.200000         0.428680000E-01
       81.1700000         0.143930000    
       27.1800000         0.355630000    
       9.53200000         0.461248000    
       3.41400000         0.140206000    
 S   2  1.00
       9.53200000        -0.154153000    
      0.939800000          1.05691400    
 S   1  1.00
      0.284600000          1.00000000
 S   1  1.00
      0.861800000E-01      1.00000000      
 P   3  1.00
       35.1800000         0.195800000E-01
       7.90400000         0.124200000    
       2.30500000         0.394714000
 P   1  1.00    
      0.717100000          1.00000000    
 P   1  1.00
      0.213700000          1.00000000    
 P   1  1.00
      0.673000000E-01      1.00000000    
 D   1  1.00
      0.961000000          1.00000000    
****
2 0
 S   2  1.00
       19.2384000         0.328280000E-01
       2.89870000         0.231204000
 S   1  1.00    
      0.653500000          1.00000000    
 S   1  1.00
      0.177600000          1.00000000    
 S   1  1.00
      0.498000000E-01      1.00000000    
 P   1  1.00
      0.356000000          1.00000000    
****
3 0
 S   2  1.00
       19.2384000         0.328280000E-01
       2.89870000         0.231204000
 S   1  1.00    
      0.653500000          1.00000000    
 S   1  1.00
      0.177600000          1.00000000    
 S   1  1.00
      0.498000000E-01      1.00000000    
 P   1  1.00
      0.356000000          1.00000000    
****

1 0
LANL2DZ 
2 0
LANL2DZ
3 0
LANL2DZ

$NBO BNDIDX $END