%nprocshared=4
%mem=3000MB
%chk=PMe3
#p SCRF(SMD,Solvent=Toluene) 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 1
 P                  1.67484700   -0.11566400   -0.01330200
 C                  2.55783100    0.74151800   -1.41288500
 H                  2.39837900    0.18879300   -2.34593100
 H                  2.14845100    1.74901800   -1.54919800
 H                  3.63817000    0.82334900   -1.23581400
 C                  2.37136300    0.85366700    1.41672300
 H                  1.97765200    1.87654400    1.39773100
 H                  2.05965700    0.39537400    2.36235600
 H                  3.46792000    0.90020800    1.39517500
 C                  2.73439300   -1.64250600    0.11665500
 H                  2.46666600   -2.20518100    1.01842200
 H                  2.55297500   -2.29344900   -0.74633300
 H                  3.80560600   -1.40598700    0.15666900

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

