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

Ag Carbene - Alcane -- PROJECT

0 1
7       -1.486677000      2.174952575     -0.533110425
7       -2.770096000      1.918925000     -0.242181425
7       -1.974263000     -0.862995000     -0.546813575
7       -2.987630000     -0.550326000      0.274970000
7       -0.868917575      0.523439425      1.941313575
7       -2.107757000      1.043489425      2.030105575
5       -3.121939000      0.884011000      0.866383000
6       -1.479144000      3.041763000     -1.542503000
6       -2.795690000      3.355116000     -1.936045000
6       -3.595919000      2.613797000     -1.069424000
6       -2.111351000     -2.145609000     -0.883149000
6       -3.240669000     -2.697795000     -0.248698000
6       -3.774640000     -1.639061000      0.484360000
6       -0.222376575      0.866009425      3.052367575
6       -1.053517000      1.634432000      3.894775000
6       -2.254938000      1.726387000      3.199834000
1       -4.222522000      1.058740000      1.252134000
6       -1.046196000     -2.768015000     -1.737310000
9       -0.585715000     -1.887367000     -2.649211000
9       -1.483511000     -3.855484000     -2.388933000
6       -0.157873000      3.401108000     -2.146165000
9        0.828968000      3.345768000     -1.227201000
9       -0.144656000      4.629844000     -2.690362000
6        1.209812425      0.475046000      3.254148000
9        1.626840000     -0.383152000      2.296360000
9        1.404856575     -0.114127000      4.446363000
9        2.019872000      1.557748000      3.201975425
9        0.016232000     -3.139891000     -0.979246000
9        0.172548000      2.522338000     -3.131837000
6       -3.549347000      2.404911000      3.544902000
6       -4.981475000     -1.562069000      1.377133000
6       -5.087769000      2.502407000     -0.943952000
35      -3.314183000      4.521504000     -3.331876000
35      -0.579006000      2.350878000      5.578991000
35      -3.864576000     -4.478365000     -0.380497000
9       -3.442619000      3.117055000      4.677525000
9       -3.926327000      3.252570000      2.560877000
9       -4.545455000      1.511511000      3.711204000
9       -5.518684000      2.974252000      0.243662000
9       -5.716802000      3.187679000     -1.911039000
9       -5.480653000      1.211390000     -1.032200000
9       -4.647735000     -1.069197000      2.591253000
9       -5.530802000     -2.771480000      1.566197000
9       -5.929411000     -0.755235000      0.859890000
6        2.495542299      0.670440851     -2.378909276
8        2.227482724     -0.157251276     -3.243886000
8        2.983880724      1.878413575     -2.526971425
6        3.145386425      2.362101000     -3.904794851
1        2.256985851      2.077951000     -4.473069701
1        4.016339851      1.860842000     -4.335209575
6        3.319108000      3.862899000     -3.823335000
1        3.474747851      4.261758000     -4.828883575
1        4.186629575      4.125812000     -3.207079724
1        2.430601575      4.333967575     -3.395998425
6        2.097028620      0.126933195     -1.090184231
1        2.825027000     -0.596963724     -0.713269977
1        2.665313104      1.417273887      0.090208312
6        3.636986529      1.710741231      0.529017357
1        3.839335335      1.076987253      1.391152955
1        4.430095851      1.631930104     -0.216890597
47       0.127135000      0.236356000     -0.360396000
1        3.512924566      2.755536081      0.837290014

-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









