%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      2.645315    3.761791    0.472244
6      1.691374    3.274956    0.312509
1      0.573819    5.097568    0.308596
6      0.542960    4.015262    0.222172
6     -0.707224    3.374574    0.000266
6      1.641012    1.858669    0.182193
6     -0.716817    1.954129   -0.092798
6     -1.924410    4.079884   -0.155266
6     -3.098465    3.402016   -0.414670
1     -1.912076    5.163692   -0.083143
1     -4.026088    3.947689   -0.555231
6     -3.103100    1.992767   -0.498523
1     -4.035516    1.485794   -0.719783
6     -1.940203    1.258457   -0.314660
6     -3.003267   -1.300586    0.880698
7      0.456666    1.245193   -0.000816
15    -1.821362   -0.574265   -0.377831
6      2.796430    0.965655    0.213161
6      4.918693   -0.840926    0.228468
6      4.115451    1.426749    0.389898
6      2.517206   -0.423302    0.040229
6      3.612821   -1.303495    0.055337
6      5.174261    0.526636    0.397144
1      4.317846    2.485430    0.521068
1      3.445176   -2.369912   -0.072815
1      6.191268    0.882840    0.532087
77     0.489739   -0.846943   -0.192077
1      0.389755   -0.928950    1.470298
6      0.620236   -2.691150   -0.347992
8      0.718493   -3.843709   -0.446627
1     -2.800316   -3.299601   -0.013442
8     -2.557140   -1.028180   -1.788178
1     -3.360459   -3.285840    1.665718
1      5.744607   -1.548404    0.231557
1     -4.682339   -1.514141   -0.520856
1     -5.108653   -1.648383    1.193086
6     -4.477059   -1.112664    0.474782
6     -2.676074   -2.806492    0.956531
6     -2.740809   -0.638412    2.244686
1     -4.779285   -0.062497    0.499236
1     -2.986760    0.428219    2.231781
1     -3.371025   -1.120227    3.000990
1     -1.697246   -0.749468    2.554345
1     -1.654416   -2.977124    1.307335
1      0.734323   -0.731695   -2.820639
1     -1.223985   -1.044863   -3.137610
8     -0.456356   -0.936235   -4.095933
6      0.707464   -0.552424   -4.053417
6      1.028320    0.911366   -4.090519
6     -0.034492    1.826639   -4.174883
6      0.211967    3.195770   -4.212151
6      1.527453    3.669966   -4.165480
6      2.591743    2.769226   -4.081559
6      2.345423    1.396279   -4.044142
6      1.844721   -1.547029   -3.962608
1     -1.048174    1.441432   -4.210144
1     -0.616595    3.894948   -4.277428
1      1.721357    4.738407   -4.194480
1      3.613497    3.135312   -4.045231
1      3.183060    0.710178   -3.978927
1      1.434705   -2.557848   -3.946165
1      2.436096   -1.377472   -3.056013
1      2.521481   -1.440746   -4.817641

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

-Ir
sdd


















