%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

+2 1
 U       0.03866300       0.29609500       0.10906100 
 H      -3.26462700       0.44186200       0.62633600 
 H      -0.37713500       3.31064100      -0.50842400 
 H      -2.49149419       0.73334337      -1.58201096 
 O      -0.12338500       2.78083800       0.27375100 
 H      -0.61883600      -2.68494500       0.01274700 
 O      -1.17704400      -1.91923200       0.20036300 
 O       0.75920400      -0.17075200      -1.47095100 
 O      -0.12621100       0.43734500       1.89251700 
 H      -1.69784500      -2.11632800       0.99108400
 H       1.79049700      -1.72843500       1.68886000
 H       0.57181600       3.27715300       0.74626900
 H       2.85344300       1.41609200       0.96303800
 O       1.55183300      -1.50185300       0.76753700
 H       2.23784900      -1.89909200       0.19428800
 O       2.30654600       1.26388600       0.16734000
 H       2.91538300       1.26905100      -0.59710000
 O      -2.38887700       0.38342200       1.05196000
 H      -2.49058600       0.77526700       1.94117100
 O      -1.56933610       1.01207301      -1.75049523
 H      -1.61553171       1.89963862      -2.15700581
 
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




