%nproc=32
%mem=120GB
#p opt=(TS,Cartes,CalcFC,NoEigenTest) freq B3LYP gen pseudo=read empiricaldispersion=GD3 nosymm scf=xqc SCRF=(SMD,solvent=n-Hexane) SCRFDef=AsymmetricIEFPCM

Ag Carbene - Alcane -- PROJECT

0 1
47       4.405754000     -0.943146000     10.711281000
35       7.531821000      0.311980000      5.383110000
35      -1.258469000      0.596968000      8.940298000
35       5.775130000      4.284956000     14.133185000
9        5.708192000     -2.453798000      6.283095000
9        5.385263000     -2.708444000      8.420517000
9        7.383080000     -2.295780000      7.658380000
9        6.930151000      3.264394000      6.091233000
9        6.253210000      3.860848000      8.070330000
9        4.815079000      3.608175000      6.455594000
9       -0.362131000     -1.330156000     11.272718000
9        1.588587000     -1.252374000     12.239056000
9        1.342481000     -2.356926000     10.384462000
9        0.124847000      2.784759000      7.298118000
9        2.252010000      2.652587000      6.867278000
9        1.530824000      4.020904000      8.398844000
9        5.681998000      0.688061000     14.505147000
9        7.605737000      1.492426000     13.892038000
9        6.772940000     -0.237735000     12.865605000
9        4.153869000      5.748950000     11.948185000
9        2.775487000      4.597755000     10.720865000
9        4.664422000      5.287493000      9.886628000
7        5.012961000     -0.043258000      8.566800000
7        4.980438000      1.293775000      8.407395000
7        2.583779000      0.408277000     10.300338000
7        2.692911000      1.457114000      9.468279000
7        5.349404000      1.392236000     11.287637000
7        4.719849000      2.407733000     10.670074000
6        5.824702000     -0.531854000      7.629789000
6        6.348571000      0.510012000      6.841893000
6        5.785955000      1.664702000      7.376606000
6        6.075267000     -2.004858000      7.496826000
6        5.946898000      3.109157000      6.990383000
6        1.317847000     -0.010689000     10.261986000
6        0.574285000      0.778921000      9.365705000
6        1.494965000      1.706937000      8.877652000
6        0.953675000     -1.239304000     11.045066000
6        1.343654000      2.803055000      7.856962000
6        5.767069000      1.852998000     12.463121000
6        5.402927000      3.205196000     12.626883000
6        4.731779000      3.524489000     11.451773000
6        6.462877000      0.951111000     13.435083000
6        4.082772000      4.801282000     11.001568000
5        4.059618000      2.190934000      9.284801000
1        3.878689000      3.225772000      8.752127000
6        5.051120000     -2.541847000     11.774374000
1        5.699922000     -2.514767000     12.656013000
7        7.666653000     -1.829916000     10.603552000
7        8.065140000     -0.876931000     10.212884000
9        4.035438000     -4.141674000     10.331402000
6        4.834769000     -3.979430000     11.393968000
9        4.262389000     -4.607642000     12.444815000
9        6.022932000     -4.552218000     11.115407000

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

Ag Br 0
LANL2DZ





