%nproc=20
%mem=40GB
#p opt 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       5.351625000     -0.989458000     10.186402000
35       7.558890000      0.784760000      4.554308000
35      -0.873760000      0.059391000      8.602338000
35       6.202900000      4.275114000     13.573524000
6        5.786143000     -2.990281000     10.334235000
7        5.817796000      0.155170000      8.191843000
7        5.311976000      1.381717000      7.902377000
7        3.096383000     -0.046299000      9.569683000
7        3.024935000      1.180415000      8.985654000
7        5.408421000      1.213884000     10.990652000
7        4.934846000      2.264592000     10.262691000
6        6.593919000     -0.205498000      7.179802000
6        6.618649000      0.790693000      6.185701000
6        5.782594000      1.785138000      6.694352000
6        1.880341000     -0.566006000      9.528858000
6        0.967641000      0.313033000      8.908832000
6        1.749870000      1.417870000      8.578071000
6        5.872619000      1.704243000     12.132832000
6        5.713173000      3.101437000     12.185534000
6        5.109588000      3.411713000     10.968663000
8        4.479785000     -4.642651000     11.020681000
6        4.847573000     -4.046409000     10.012929000
5        4.293067000      2.063584000      8.862430000
1        3.995715000      3.117489000      8.416942000
8        4.435947000     -4.206754000      8.773967000
6        3.407155000     -5.225926000      8.537740000
1        2.597206000     -5.066739000      9.254477000
1        3.853988000     -6.208143000      8.725095000
6        2.947378000     -5.061506000      7.105288000
1        2.181188000     -5.811251000      6.882212000
1        2.516721000     -4.067291000      6.948551000
1        3.778951000     -5.199020000      6.407152000
35       1.569915000     -2.276989000     10.270136000
35       1.198967000      3.000197000      7.712440000
35       7.475641000     -1.875064000      7.217890000
35       5.341510000      3.430442000      5.892134000
35       4.598267000      5.116852000     10.353075000
35       6.620665000      0.547719000     13.419676000
6        7.195489196     -3.541625523     10.619476155
6        7.617640001     -3.800295094     11.934470498
6        8.095760074     -3.800295094      9.572130095
6        8.893173315     -4.299316362     12.192959346
6        9.371421874     -4.299316362      9.829984104
6        9.776247616     -4.551233399     11.141802405
1        6.938719811     -3.607894588     12.759403116
1        7.791052390     -3.607894588      8.548118534
1        9.197593423     -4.491673190     13.217817544
1       10.050406342     -4.491673190      9.004159655
1       10.770111548     -4.940038816     11.342953050

-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 0
6-31G(d,p)
****

Ag Br 0
LANL2DZ









