%nprocshared=32
%mem=128GB
#p opt freq=NoRaman B3LYP gen pseudo=read SCF=XQC SCRFDef=AsymmetricIEFPCM SCRF=(SMD,Solvent=DiChloroMethane) EmpiricalDispersion=GD3

Title

0 1
1        2.645754000      3.761576000      0.471992000
6        1.691746000      3.274841000      0.312362000
1        0.574400000      5.097579000      0.308427000
6        0.543410000      4.015270000      0.222087000
6       -0.706862000      3.374706000      0.000334000
6        1.641209000      1.858557000      0.182111000
6       -0.716635000      1.954253000     -0.092698000
6       -1.923979000      4.080160000     -0.154996000
6       -3.098160000      3.402428000     -0.414168000
1       -1.911500000      5.163971000     -0.082921000
1       -4.025737000      3.948214000     -0.554595000
6       -3.102985000      1.993186000     -0.498008000
1       -4.035517000      1.486378000     -0.719114000
6       -1.940149000      1.258711000     -0.314394000
6       -3.003543000     -1.300664000      0.880319000
7        0.456781000      1.245199000     -0.000823000
15      -1.821391000     -0.573996000     -0.377774000
6        2.796537000      0.965437000      0.213083000
6        4.918644000     -0.841331000      0.228469000
6        4.115607000      1.426424000      0.389745000
6        2.517187000     -0.423511000      0.040251000
6        3.612724000     -1.303794000      0.055387000
6        5.174338000      0.526216000      0.397042000
1        4.318105000      2.485098000      0.520816000
1        3.444991000     -2.370203000     -0.072714000
1        6.191377000      0.882343000      0.531946000
77       0.489644000     -0.846943000     -0.192013000
1        0.389487000     -0.929070000      1.470363000
6        0.620003000     -2.691188000     -0.347738000
8        0.718292000     -3.843752000     -0.446295000
1       -2.801184000     -3.299283000     -0.014795000
8       -2.556863000     -1.027400000     -1.788526000
1       -3.360952000     -3.286206000      1.664507000
1        5.744489000     -1.548889000      0.231599000
1       -4.682626000     -1.512916000     -0.521433000
1       -5.108935000     -1.648573000      1.192404000
6       -4.477320000     -1.112291000      0.474539000
6       -2.676640000     -2.806661000      0.955385000
6       -2.740944000     -0.639285000      2.244683000
1       -4.779460000     -0.062131000      0.499935000
1       -2.986363000      0.427475000      2.232259000
1       -3.371510000     -1.121131000      3.000685000
1       -1.697482000     -0.751012000      2.554432000
1       -1.654939000     -2.977669000      1.305890000
1        0.645729000     -0.625073000     -1.851372000
1       -2.141563959     -0.861860380     -2.608022957

C H N O P 0
6-31g(d,p)
****
-Ir 0
sdd
F 1 1.0
0.938 1.0
****

-Ir
sdd


















