%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        -0.087026    0.045700   -0.245089 
 O        -2.373194   -0.350738    0.669404 
 H        -0.421275    0.832079   -3.237024 
 O        -2.169558   -0.555667   -1.478734 
 O        -0.363356    0.049787    2.292937 
 N        -2.959005   -0.630427   -0.453567 
 O        -4.136475   -0.930834   -0.536228 
 O         0.277511   -1.707299   -0.114623 
 O        -0.437047    1.802397   -0.373793 
 H        -0.699629    0.882224    2.684728
 H        -0.955620   -0.642911    2.651614
 H        -0.320813   -0.714924   -3.282630
 H         2.905857   -0.236974   -1.052387
 H         1.763227    0.598626    2.137462
 O         0.011933    0.069835   -2.801364
 O         2.179460    0.335655   -1.371831
 H         2.086223    0.141862   -2.328444
 O         1.944983    0.614928    1.175581
 H         2.420703    1.452945    1.006907
 
O H N 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




