%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        4.576870000      2.841940000      1.526609000
6        3.595527000      2.391809000      1.606410000
1        2.820629000      3.907980000      2.899694000
6        2.621348000      2.981893000      2.368104000
6        1.329998000      2.397566000      2.460034000
6        3.317977000      1.187807000      0.905499000
6        1.099792000      1.178245000      1.760118000
6        0.267633000      2.984061000      3.187820000
6       -0.977248000      2.390947000      3.203660000
1        0.449678000      3.914848000      3.717377000
1       -1.796547000      2.851438000      3.746550000
6       -1.199594000      1.181289000      2.510414000
1       -2.195823000      0.757116000      2.515348000
6       -0.181899000      0.557283000      1.803948000
6       -0.977582000     -2.345071000      2.020743000
7        2.105165000      0.612309000      1.012630000
15      -0.362299000     -1.011218000      0.855538000
6        4.253886000      0.491764000      0.021237000
6        5.919827000     -0.902061000     -1.726710000
6        5.552006000      0.965161000     -0.244198000
6        3.764701000     -0.700101000     -0.590955000
6        4.631869000     -1.376936000     -1.464053000
6        6.383363000      0.269701000     -1.116413000
1        5.916718000      1.874284000      0.224389000
1        4.298877000     -2.289657000     -1.951503000
1        7.385153000      0.635735000     -1.320668000
77       1.805387000     -1.158153000     -0.065033000
1        2.365404000     -1.977391000      1.227211000
6        1.647992000     -2.731490000     -1.039723000
8        1.568420000     -3.706105000     -1.662421000
1       -1.209516000     -3.730894000      0.328120000
8       -1.595632000     -0.786687000     -0.176848000
1       -1.140456000     -4.502338000      1.919373000
1        6.566484000     -1.447821000     -2.409571000
1       -3.068111000     -2.259990000      1.389183000
1       -2.796585000     -3.017134000      2.965157000
6       -2.482157000     -2.199016000      2.306168000
6       -0.725195000     -3.691238000      1.310090000
6       -0.165066000     -2.282020000      3.324924000
1       -2.724789000     -1.261675000      2.812450000
1       -0.383580000     -1.373946000      3.894971000
1       -0.422792000     -3.144459000      3.950501000
1        0.912874000     -2.318404000      3.132967000
1        0.343758000     -3.881256000      1.179093000
1        1.368696901     -0.501642840     -1.134842082
1       -1.264622000     -0.568541000     -1.202128000
8       -0.760840000     -0.361354000     -2.428896000
6        0.243439150      0.539742242     -2.682029765
6        0.194660000      1.744699000     -1.761012000
6       -1.068470000      2.235653000     -1.410363000
6       -1.200917000      3.481160000     -0.795582000
6       -0.067508000      4.250406000     -0.525763000
6        1.198550000      3.769425000     -0.880379000
6        1.330208000      2.524318000     -1.491938000
6        1.229089000      0.234249000     -3.597301000
1       -1.942711000      1.642501000     -1.635715000
1       -2.190378000      3.839219000     -0.526316000
1       -0.165555000      5.216754000     -0.039165000
1        2.084679000      4.358794000     -0.664193000
1        2.318126000      2.141129000     -1.726804000
1        1.374671000     -0.825969000     -3.815541000
1        2.198394000      0.707890000     -3.433960000
1        0.749407000      0.710592000     -4.461714000
6       -4.747964000      0.981691000     -1.542323000
6       -4.852392000      0.608782000     -0.057926000
9       -5.432460000     -1.109292000      1.453684000
9       -4.562448000     -1.731768000     -0.442124000
9       -6.608886000     -0.982222000     -0.374305000
6       -5.374450000     -0.820427000      0.139606000
9       -4.374248000      2.272338000     -1.662087000
8       -3.633057000      0.801616000      0.582509000
9       -5.913363000      0.827245000     -2.197341000
9       -3.814163000      0.231923000     -2.170769000
1       -5.596142000      1.278452000      0.384423000
1       -2.945861000      0.177354000      0.235849000

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

-Ir
sdd


















