%nprocshared=4
%mem=4000MB
%chk=Phrad
#p SCRF(SMD,Solvent=TetraHydroFuran) B3LYP/gen EmpiricalDispersion=GD3  nosymm
# scf(maxcyc=400,XQC) gfinput gfprint pop=full

Optts for OA of PhBr to NiP2 SN2 based on PhCl opt fwd 1

0 2
C                  1.08864700   -0.03769400    0.00006900
 C                  2.48722700   -0.02963100    0.00046900
 C                  3.19370500    1.17742900   -0.00006000
 C                  2.50180800    2.40134400   -0.00094100
 C                  1.12511300    2.33009200   -0.00131600
 C                  0.37481100    1.17352800   -0.00088100
 H                  0.54648100   -0.98062200    0.00048300
 H                  3.03049000   -0.97076800    0.00119500
 H                  4.28145500    1.17540900    0.00024800
 H                  3.03893100    3.34652400   -0.00135700
 H                 -0.71237300    1.18106900   -0.00119200

C H 0
6-311+G**
****

