%nproc=24
%mem=120GB
#p freq=NoRaman SCRFDef=AsymmetricIEFPCM B3LYP gen pseudo=read empiricaldispersion=GD3 nosymm scf=xqc SCRF=(SMD,solvent=n-Hexane)

Ag Carbene - Alcane -- PROJECT

0 1
47              5.048542   -1.303813   10.100678
35              8.301139    0.636274    5.020969
35             -0.693585   -0.135682    7.960937
35              5.282953    3.569428   14.001870
 9              6.325795   -2.302882    5.417513
 9              6.104282   -2.819427    7.519256
 9              8.056192   -2.258490    6.729636
 9              7.510678    3.457391    6.061048
 9              6.598328    3.767241    8.011801
 9              5.351799    3.649273    6.231142
 9              0.339599   -1.359003   11.186738
 9              2.324505   -2.243112   11.047493
 9              0.819763   -2.693167    9.541601
 9              0.724475    2.124461    6.379920
 9              2.892502    2.245558    6.248160
 9              1.815985    3.483895    7.678228
 9              5.479477   -0.593695   13.400964
 9              6.914261    0.863135   14.151611
 9              7.403533   -0.368832   12.424100
 9              3.866170    5.110562   11.751346
 9              2.794708    3.978682   10.235039
 9              4.698217    4.919022    9.752841
 6              5.975608   -3.239626   10.785275
 7              5.534844   -0.222320    7.893749
 7              5.464171    1.121638    7.908986
 7              2.997147   -0.031254    9.690568
 7              3.115744    1.014173    8.851306
 7              5.617586    0.995959   10.842072
 7              4.964964    2.006279   10.249187
 6              6.448180   -0.553776    6.983543
 6              6.994078    0.600081    6.386549
 6              6.338889    1.655213    7.012295
 6              6.733879   -1.990255    6.664031
 6              6.451470    3.140019    6.822131
 6              1.777959   -0.535959    9.515539
 6              1.076795    0.190854    8.535387
 6              1.974331    1.173468    8.128430
 6              1.313344   -1.707946   10.324272
 6              1.845670    2.264363    7.103978
 6              5.815650    1.346633   12.112534
 6              5.274333    2.623670   12.363348
 6              4.739797    3.013003   11.136874
 6              6.410400    0.329306   13.033451
 6              4.023429    4.266598   10.720305
 8              4.120072   -4.539868   11.637722
 6              4.841093   -4.187572   10.729953
 5              4.424820    1.856909    8.797495
 1              4.193520    2.921622    8.346229
 8              4.635898   -4.513558    9.416842
 6              3.300278   -4.827171    9.019534
 1              2.579281   -4.560500    9.792825
 1              3.214618   -5.890992    8.785048
 1              6.051090   -2.839806   12.031578
 6              6.463295   -3.490384   12.983314
 1              6.608293   -4.549783   12.807696
 1              7.387376   -2.949037   13.182112
 1              5.649329   -3.284140   13.676850
 6              7.288845   -3.528043   10.192337
 6              8.243752   -2.494142   10.100822
 6              7.595056   -4.784660    9.635090
 6              9.445858   -2.695087    9.438871
 6              8.785572   -4.977638    8.942606
 6              9.705340   -3.932184    8.840975
 1              8.022061   -1.525506   10.533742
 1              6.879387   -5.596196    9.700321
 1             10.169282   -1.891501    9.357593
 1              9.002789   -5.935627    8.482878
 6             10.939076   -4.100448    7.995016
 9             11.965067   -3.345137    8.445052
 9             11.359256   -5.384448    7.963569
 9             10.701197   -3.726858    6.716897
 6              3.020218   -4.021465    7.763818
 9              3.167568   -2.693280    7.987459
 9              3.848582   -4.353036    6.758654
 9              1.755212   -4.238053    7.358128

-Ag 0
LANL2DZ
F 1 1.000
1.611 1.000
****
-Br 0
LANL2DZ
P 1 1.000
0.03760 1.000
D 1 1.000
0.43400 1.000
****
-C N H B O F 0
6-31G(d,p)
****

Ag Br 0
LANL2DZ









