%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        4.789872000      2.609712000      1.663662000
6        3.787449000      2.205516000      1.722471000
1        3.101846000      3.671694000      3.119755000
6        2.849729000      2.791856000      2.534486000
6        1.530961000      2.274706000      2.601384000
6        3.440738000      1.071656000      0.945177000
6        1.229044000      1.117927000      1.823917000
6        0.499992000      2.879589000      3.359853000
6       -0.781028000      2.373269000      3.314484000
1        0.734205000      3.760363000      3.950838000
1       -1.579245000      2.855697000      3.870109000
6       -1.071536000      1.224843000      2.542667000
1       -2.095044000      0.872983000      2.495827000
6       -0.081976000      0.566633000      1.827435000
6       -0.788057000     -2.310349000      2.037090000
7        2.195285000      0.559494000      1.021250000
15      -0.372389000     -0.949169000      0.802469000
6        4.338573000      0.386411000      0.005905000
6        5.924814000     -0.971852000     -1.844206000
6        5.661252000      0.801127000     -0.227172000
6        3.785489000     -0.730723000     -0.683925000
6        4.610582000     -1.390644000     -1.607625000
6        6.453282000      0.120023000     -1.150138000
1        6.079036000      1.651412000      0.302908000
1        4.222574000     -2.241513000     -2.162131000
1        7.475115000      0.441245000     -1.328748000
77       1.792023000     -1.112613000     -0.185270000
1        2.274805000     -1.989204000      0.986771000
6        1.558706000     -2.690452000     -1.145433000
8        1.454796000     -3.693195000     -1.708355000
1       -1.267741000     -3.676827000      0.385915000
8       -1.617967000     -0.715072000     -0.108864000
1       -0.987282000     -4.468011000      1.946093000
1        6.537385000     -1.498794000     -2.571638000
1       -2.939928000     -2.173003000      1.695880000
1       -2.481131000     -2.983901000      3.202420000
6       -2.236250000     -2.153605000      2.528060000
6       -0.652991000     -3.653316000      1.292275000
6        0.189497000     -2.271368000      3.222753000
1       -2.383863000     -1.225488000      3.086492000
1        0.051124000     -1.373200000      3.832617000
1        0.020085000     -3.142954000      3.866268000
1        1.234691000     -2.302524000      2.892373000
1        0.383973000     -3.859137000      1.013400000
1        0.989985000      0.057790000     -2.201874000
1       -1.278919000     -0.381260000     -1.769363000
8       -1.008651000     -0.177522000     -2.696553000
6        0.147049000      0.623182000     -2.654231000
6       -0.020157000      1.908279000     -1.844916000
6       -1.290432000      2.400327000     -1.533409000
6       -1.435803000      3.559160000     -0.766200000
6       -0.307163000      4.246610000     -0.311637000
6        0.967295000      3.775206000     -0.643377000
6        1.106829000      2.612891000     -1.403900000
6        0.547711000      0.921445000     -4.100868000
1       -2.159342000      1.862314000     -1.885152000
1       -2.432510000      3.910157000     -0.514089000
1       -0.416560000      5.139982000      0.296932000
1        1.851686000      4.299486000     -0.291890000
1        2.099739000      2.236248000     -1.637854000
1        0.696484000     -0.012859000     -4.653654000
1        1.471960000      1.505402000     -4.139175000
1       -0.249227000      1.493691000     -4.587545000
6       -4.805034000      0.819740000     -1.423792000
6       -4.823479000      0.504879000      0.078862000
9       -5.256216000     -1.166170000      1.688053000
9       -4.442448000     -1.842089000     -0.215514000
9       -6.517562000     -1.181079000     -0.088209000
6       -5.266948000     -0.938323000      0.357860000
9       -4.556670000      2.134355000     -1.611307000
8       -3.593829000      0.786396000      0.656559000
9       -5.980836000      0.543219000     -2.027432000
9       -3.838815000      0.131728000     -2.065610000
1       -5.591223000      1.149106000      0.519714000
1       -2.870176000      0.171302000      0.309873000

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

-Ir
sdd


















