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

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

UraniumTest

0 1
U        -0.039115    0.049029   -0.245135
O        -2.303943   -0.366104    0.743738
N         2.844710    0.701694    0.004197
O        -2.208823   -0.464811   -1.426267
O         4.033271    0.973083    0.118298
N        -2.941374   -0.564155   -0.367965
O        -4.137840   -0.825188   -0.405901
O         0.329443   -1.718546   -0.368900
O        -0.357973    1.795351   -0.601465
H        -0.672807    2.427379    1.810728
H         0.689224   -1.805186    2.224081
H         0.626534   -0.841603   -3.105511
O         2.288342    0.443909   -1.133612
O         2.037579    0.649574    1.016473
O         0.075792   -1.044465    2.213023
H         0.421863   -0.430019    2.890435
O        -0.595483    1.498733    2.106296
H        -1.495409    1.281139    2.422120
O         0.141973   -0.068910   -2.752317
H         0.549165    0.705821   -3.188564

O N 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




