%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      4.661952   -1.609615   -2.323481
6      3.996683   -0.820256   -1.996038
1      4.978463    0.704692   -3.214206
6      4.183392    0.502105   -2.507308
6      3.297132    1.535354   -2.069318
6      2.935249   -1.114696   -1.084138
6      2.261248    1.251594   -1.125219
6      3.424508    2.862954   -2.585216
6      2.493709    3.856608   -2.147993
1      4.199522    3.098710   -3.304005
1      2.572211    4.858285   -2.552182
6      1.491730    3.517031   -1.185899
1      0.802488    4.295420   -0.882675
6      1.346364    2.219022   -0.603713
6      0.704837    2.631954    2.181253
7      2.064598   -0.075666   -0.650344
15     0.195741    1.824667    0.643328
6      2.616028   -2.395519   -0.534150
6      1.921542   -4.846089    0.574050
6      3.372229   -3.534787   -0.839504
6      1.493286   -2.455100    0.329908
6      1.170944   -3.704679    0.876252
6      3.023045   -4.762460   -0.284064
1      4.229433   -3.477523   -1.503216
1      0.318836   -3.797040    1.544906
1      3.605295   -5.648840   -0.517773
77     0.546665   -0.594976    0.616421
1      1.564319   -0.365665    1.789367
6     -0.655400   -1.152366    1.932465
8     -1.310417   -1.540394    2.801924
1     -1.172976    2.097745    3.185122
8     -1.224142    2.403514    0.223135
1      0.128335    2.568492    4.290406
1      1.645558   -5.803772    1.008483
1     -0.651060    4.323782    1.874997
1      0.636031    4.631135    3.059901
6      0.411557    4.109211    2.105332
6     -0.073344    2.044805    3.331797
6      2.179229    2.440314    2.433254
1      1.009223    4.637433    1.334043
1      2.820719    2.900310    1.652839
1      2.502583    2.894578    3.393947
1      2.483712    1.374341    2.491603
1      0.162896    0.977511    3.519757
1     -0.535015   -1.371038   -1.066430
1     -0.782195   -0.098670   -0.952928

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

-Ir
sdd


















