%chk=Urani.chk
%nprocshared=12
%mem=20GB

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

UraniumTest

0 1
 U         0.041243    0.019182   -0.058008 
 H         3.073851    0.585488   -0.040986 
 H        -2.193524   -2.206974    0.165497 
 H        -2.313793    1.476480   -0.403102 
 O        -0.377369    2.112397   -0.699631 
 H        -0.337596    2.783021    0.010290 
 O         1.347301   -1.690799    0.389216 
 O        -0.153759   -0.545962   -1.791365 
 O         0.190028    0.581297    1.681869 
 O         2.369274    0.925731   -0.627215
 H         2.426918    1.898981   -0.555243
 O        -1.510132   -1.909554    0.798029
 H        -0.888800   -2.663558    0.863481
 O        -2.565599    0.561391   -0.132027
 H        -2.990401    0.670938    0.741766
 H         1.547139   -2.283919   -0.361673
 
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




