%chk=Urani.chk
%nprocshared=8
%mem=20GB

#p opt=(noeigentest) b3lyp/gen scrf=(smd,solvent=Pyridine) POP=FULL IOP(6/80=1) pseudo=read nosymm

UraniumTest

+1 1
 U        -0.060423    0.067025   -0.165021 
 H        -2.748924   -0.264677   -0.852759 
 H        -1.175163    2.714526    0.898688 
 H         2.358350    1.984556    0.517738 
 O        -0.362582   -2.460484   -0.246406 
 O         2.113327   -1.316292   -0.354538 
 H         2.884935   -0.712601   -0.352254 
 O        -0.089817    0.224409   -1.970486 
 O         0.107021    0.018624    1.640492 
 H        -1.316340   -2.677614   -0.214795
 H        -0.021141   -2.940796   -1.027312
 H        -1.320128    2.830653   -0.637167
 H         2.212234    2.067647   -1.025590
 H         2.288979   -1.945872    0.373755
 O        -0.736057    2.468896    0.059359
 O         2.080896    1.467628   -0.264613
 O        -2.172619   -0.247265   -0.062716
 
O H 0 
6-31+G* 
****
U 0 
SDD
****

U     0
U-ECP     5     60
h-ul potential
  1
2      1.000000000            0.000000000
s-ul potential
  1
2     16.414038690          536.516627780
p-ul potential
  1
2      9.060556060          169.544924650
d-ul potential
  1
2      8.831831980          142.615598370
f-ul potential
  1
2      7.018516290           60.393076020
g-ul potential
  1
2     12.804088440          -60.129989580




