%nproc=28
%mem=120GB
#p freq=NoRaman B3LYP gen pseudo=read empiricaldispersion=GD3 nosymm scf=xqc SCRF=(SMD,solvent=n-Hexane)

Ag Carbene - Alcane -- PROJECT

0 1
47             5.660083   -1.002306   10.252179
35             7.117593    1.838780    4.715521
35            -0.653020   -0.578808    9.655663
35             6.595702    3.706296   14.198579
 9             5.885879   -1.680221    5.659548
 9             6.824710   -1.969994    7.599939
 9             7.924527   -1.000517    5.993384
 9             6.040053    4.364252    6.100327
 9             5.751015    4.433628    8.254368
 9             4.048371    4.128767    6.933363
 9             1.007224   -2.038357   12.108400
 9             3.174802   -2.205233   12.050573
 9             1.966763   -3.055686   10.447413
 9             0.000491    1.999485    8.079271
 9             2.018953    2.392005    7.370639
 9             1.278096    3.386411    9.160974
 9             7.201961    0.059974   13.837375
 9             8.742145    1.439661   13.162951
 9             8.123008   -0.209025   11.882538
 9             4.220658    5.035996   12.741640
 9             2.896803    3.890570   11.451341
 9             4.468432    5.121228   10.584299
 6             6.110411   -3.041888   10.432553
 7             5.477643    0.324696    8.134539
 7             5.099234    1.608984    8.250197
 7             3.315570   -0.053404   10.447091
 7             3.087754    1.044407    9.706218
 7             6.026160    1.226941   11.011271
 7             5.111423    2.171580   10.723892
 6             6.190935    0.225172    7.013833
 6             6.276117    1.476391    6.370369
 6             5.573403    2.341218    7.204153
 6             6.711309   -1.106228    6.562627
 6             5.348144    3.824893    7.116092
 6             2.159936   -0.706740   10.542241
 6             1.147616   -0.030334    9.832897
 6             1.784857    1.091228    9.311890
 6             2.075233   -1.999912   11.291338
 6             1.262163    2.223818    8.477824
 6             6.626054    1.589596   12.143701
 6             6.082235    2.796407   12.623259
 6             5.111842    3.134816   11.684419
 6             7.680382    0.717951   12.760274
 6             4.172646    4.306663   11.616240
 8             6.246468   -3.909909   12.370788
 6             5.515658   -3.948633   11.379422
 5             4.226507    2.075812    9.448026
 1             3.759537    3.130339    9.204843
 1             6.912776   -3.516180    9.857522
 8             4.403398   -4.608750   11.200904
 6             3.855255   -5.307779   12.373379
 1             3.676005   -4.556186   13.146100
 1             4.606983   -6.015430   12.732696
 6             2.582227   -5.988023   11.924819
 1             2.140570   -6.519256   12.773648
 1             1.862453   -5.253629   11.557748
 1             2.783574   -6.712127   11.130654
 6             4.038059   -3.552986    7.910501
 1             4.925118   -3.643102    7.274903
 6             3.157731   -2.408153    7.405712
 1             3.686959   -1.451824    7.425011
 1             2.258737   -2.310221    8.021872
 1             4.406430   -3.293180    8.918479
 1             2.837219   -2.592371    6.373664
 6             3.301199   -4.889472    7.989973
 1             2.435160   -4.817152    8.655434
 1             2.939325   -5.193220    7.000188
 1             3.949643   -5.686442    8.368988

-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









