%nproc=24
%mem=120GB
#p opt=(CalcFC) 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       5.048542000     -1.303813000     10.103174004
35       8.301139000      0.636274000      5.020969000
35      -0.693585000     -0.135682000      7.960937000
35       5.282953000      3.569428000     14.001870000
9        6.325795000     -2.302882000      5.417513000
9        6.104282000     -2.819427000      7.519256000
9        8.056192000     -2.258490000      6.729636000
9        7.510678000      3.457391000      6.061048000
9        6.598328000      3.767241000      8.011801000
9        5.351799000      3.649273000      6.231142000
9        0.339599000     -1.359003000     11.186738000
9        2.324505000     -2.243112000     11.047493000
9        0.819763000     -2.693167000      9.541601000
9        0.724475000      2.124461000      6.379920000
9        2.892502000      2.245558000      6.248160000
9        1.815985000      3.483895000      7.678228000
9        5.479477000     -0.593695000     13.400964000
9        6.914261000      0.863135000     14.151611000
9        7.403533000     -0.368832000     12.424100000
9        3.866170000      5.110562000     11.751346000
9        2.794708000      3.978682000     10.235039000
9        4.698217000      4.919022000      9.752841000
6        5.960631977     -3.217161965     10.715386891
7        5.534844000     -0.222320000      7.893749000
7        5.464171000      1.121638000      7.908986000
7        2.997147000     -0.031254000      9.690568000
7        3.115744000      1.014173000      8.851306000
7        5.617586000      0.995959000     10.842072000
7        4.964964000      2.006279000     10.249187000
6        6.448180000     -0.553776000      6.983543000
6        6.994078000      0.600081000      6.386549000
6        6.338889000      1.655213000      7.012295000
6        6.733879000     -1.990255000      6.664031000
6        6.451470000      3.140019000      6.822131000
6        1.777959000     -0.535959000      9.515539000
6        1.076795000      0.190854000      8.535387000
6        1.974331000      1.173468000      8.128430000
6        1.313344000     -1.707946000     10.324272000
6        1.845670000      2.264363000      7.103978000
6        5.815650000      1.346633000     12.112534000
6        5.274333000      2.623670000     12.363348000
6        4.739797000      3.013003000     11.136874000
6        6.410400000      0.326809996     13.033451000
6        4.023429000      4.266598000     10.720305000
8        4.135048023     -4.539868000     11.635225996
6        4.846085008     -4.192564008     10.717472981
5        4.424820000      1.856909000      8.797495000
1        4.193520000      2.921622000      8.346229000
8        4.633401996     -4.526038019      9.406857984
6        3.292789988     -4.827171000      9.017037996
1        2.576784996     -4.555507992      9.792825000
1        3.202137981     -5.890992000      8.782551996
1        6.086034054     -2.929662140     12.143898174
6        6.475775019     -3.477903981     13.055698112
1        6.615781012     -4.534806977     12.850128066
1        7.409840035     -2.961517019     13.271968140
1        5.691761066     -3.306604035     13.796658186
6        7.283852992     -3.528043000     10.184848988
6        8.241255996     -2.494142000     10.095829992
6        7.595056000     -4.792148012      9.637586004
6        9.445858000     -2.695087000      9.441367004
6        8.785572000     -4.982630008      8.945102004
6        9.702843996     -3.932184000      8.840975000
1        8.014572988     -1.525506000     10.528749992
1        6.879387000     -5.601188008      9.700321000
1       10.169282000     -1.891501000      9.360089004
1        9.005285004     -5.938123004      8.482878000
6       10.939076000     -4.100448000      7.995016000
9       11.965067000     -3.345137000      8.445052000
9       11.359256000     -5.384448000      7.963569000
9       10.698700996     -3.726858000      6.719393004
6        3.017721996     -4.021465000      7.761321996
9        3.167568000     -2.693280000      7.987459000
9        3.848582000     -4.353036000      6.758654000
9        1.752715996     -4.235556996      7.355631996

-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









