%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        4.097253000      2.620622000      2.067741000
6        3.627464000      1.672088000      1.840322000
1        4.849319000      0.553619000      3.191954000
6        4.045161000      0.524175000      2.462193000
6        3.426341000     -0.719706000      2.166987000
6        2.561466000      1.625198000      0.902709000
6        2.382875000     -0.729177000      1.196623000
6        3.782630000     -1.933003000      2.804180000
6        3.114230000     -3.101310000      2.502511000
1        4.577412000     -1.919794000      3.544455000
1        3.371832000     -4.025598000      3.010001000
6        2.091561000     -3.105387000      1.527767000
1        1.570546000     -4.033367000      1.318422000
6        1.739000000     -1.949960000      0.846508000
6        0.999810000     -2.930903000     -1.891256000
7        1.976647000      0.447858000      0.612456000
15       0.428760000     -1.876869000     -0.451246000
6        2.007666000      2.784022000      0.196964000
6        0.854615000      4.904868000     -1.199005000
6        2.493807000      4.091985000      0.374001000
6        0.926922000      2.518849000     -0.691091000
6        0.370576000      3.605207000     -1.380100000
6        1.917552000      5.149861000     -0.322972000
1        3.319347000      4.289845000      1.050639000
1       -0.456071000      3.442998000     -2.066834000
1        2.293397000      6.159326000     -0.185454000
77       0.394787000      0.494479000     -0.771361000
1        1.486050000      0.357075000     -1.902972000
6       -0.851927000      0.643934000     -2.156207000
8       -1.547253000      0.773486000     -3.070269000
1       -1.705477413     -1.616885107      0.942220526
8       -0.849898000     -2.633790000      0.123442000
1        0.262501000     -3.316570000     -3.891408000
1        0.400680000      5.729398000     -1.743127000
1       -0.003236000     -4.727574000     -1.131722000
1        1.193678000     -5.020572000     -2.407865000
6        0.974681000     -4.423749000     -1.514561000
6        0.007165000     -2.671918000     -3.042367000
6        2.419284000     -2.518791000     -2.315170000
1        1.734452000     -4.666650000     -0.766508000
1        3.147994000     -2.693591000     -1.516822000
1        2.722577000     -3.116899000     -3.182462000
1        2.469712000     -1.464293000     -2.603202000
6       -3.705991000     -0.272316000     -0.226909000
9       -3.134629000     -1.099771000     -1.130415000
9       -3.238954000      0.975138000     -0.481536000
9       -5.032819000     -0.260194000     -0.471305000
6       -3.373237000     -0.749112000      1.199611000
8       -2.026045000     -0.936412000      1.382211000
6       -3.880932000      0.254225000      2.243230000
1       -3.973969000     -1.662987000      1.343243000
9       -3.195540000      1.418271000      2.200217000
9       -5.190917000      0.550838000      2.081893000
9       -3.730776000     -0.253831000      3.482756000
1       -1.023276000     -2.896055000     -2.747829000
1        0.051757000     -1.634957000     -3.387148000
1       -0.693690000      0.999801000      0.636410000
1       -0.716547274      0.072170900      0.492307203

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

-Ir
sdd


















