%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     -3.813486    3.675977    2.860445
6     -3.204080    3.244829    3.644744
1     -3.474016    4.887057    4.987799
6     -3.012469    3.917200    4.824373
6     -2.218479    3.347779    5.855005
6     -2.614583    1.966924    3.449702
6     -1.610759    2.082657    5.603393
6     -2.030095    3.958845    7.119074
6     -1.293019    3.320725    8.095202
1     -2.492755    4.923295    7.308185
1     -1.169876    3.778213    9.072269
6     -0.690686    2.068878    7.830851
1     -0.130524    1.576800    8.619696
6     -0.803959    1.455067    6.593081
6      1.833735    0.230017    6.074154
7     -1.840688    1.431512    4.411930
15    -0.015454   -0.189398    6.184974
6     -2.783510    1.134781    2.252771
6     -3.031665   -0.542508    0.040413
6     -3.569423    1.529064    1.155054
6     -2.107052   -0.119048    2.265683
6     -2.248524   -0.933986    1.131608
6     -3.694466    0.689865    0.050993
1     -4.085202    2.484873    1.155376
1     -1.742375   -1.896202    1.096361
1     -4.302151    0.993932   -0.796269
77    -1.044655   -0.479531    4.041263
1      0.207400    0.219801    3.376659
6     -0.285016   -2.117439    3.638687
8      0.190815   -3.139534    3.359721
1      2.301890   -1.907763    5.901076
8     -0.242608   -1.170818    7.339013
1      3.609318   -0.825046    5.395864
1     -3.125774   -1.199296   -0.821303
1      2.158401   -0.479117    8.117799
1      3.489143    0.494847    7.454078
6      2.397552    0.389174    7.497453
6      2.521014   -0.965441    5.386527
6      2.087996    1.512175    5.266650
1      2.003719    1.282650    7.991820
1      1.658227    2.392027    5.756633
1      3.168648    1.679477    5.170700
1      1.672287    1.448281    4.256081
1      2.208121   -1.063000    4.342646
1     -5.980564   -2.825639    6.749527
7     -3.085134   -1.436398    4.570616
6     -4.252986   -1.809356    4.012385
6     -5.311645   -2.317659    4.758849
6     -2.948466   -1.560551    5.907329
6     -3.963662   -2.048601    6.722199
6     -5.169996   -2.438184    6.140148
1     -4.339458   -1.692630    2.940139
1     -6.228342   -2.604381    4.255034
1     -1.991061   -1.266864    6.321092
1     -3.799860   -2.121506    7.791957

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

-Ir
sdd


















