%chk=Urani.chk %nprocshared=8 %mem=20GB #p opt=(noeigentest) freq=noraman b3lyp/gen scrf=(smd,solvent=Pyridine) pseudo=read nosymm UraniumTest 0 1 U -0.078423 0.436804 0.132761 O -2.236009 -0.389347 1.070926 H 0.685952 3.273558 -0.843745 O -2.292122 1.583397 0.155737 N 2.793891 0.226419 -0.498382 N -2.950786 0.647584 0.765055 O -4.139025 0.735865 1.027992 O -0.484249 -0.285874 -1.467392 O 0.327340 1.159624 1.732862 O 3.982275 0.138273 -0.760792 H 0.679419 -2.478224 0.848599 O 2.079568 1.264055 -0.803016 O 2.134707 -0.710317 0.109059 O -0.023086 -1.873795 1.162549 H -0.848307 -2.396717 1.107437 O -0.136551 2.746380 -0.897746 H -0.842279 3.348060 -0.585762 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