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

Ag Carbene - Alcane -- PROJECT

0 1
7       -1.542679000      2.188406000     -0.737530000
7       -2.765666000      1.722337000     -0.430191000
7       -1.589918000     -0.895051000     -0.468617000
7       -2.594494000     -0.660069000      0.395733000
7       -0.743294000      0.980827000      1.946550000
7       -2.050694000      1.280378000      1.946854000
5       -2.976108000      0.788932000      0.797682000
6       -1.675848000      2.947101000     -1.823512000
6       -3.018241000      2.972976000     -2.248461000
6       -3.684876000      2.170039000     -1.327404000
6       -1.542193000     -2.211060000     -0.661607000
6       -2.537571000     -2.858881000      0.096476000
6       -3.188218000     -1.827426000      0.765293000
6       -0.191246000      1.637238000      2.966076000
6       -1.161470000      2.395871000      3.651654000
6       -2.344636000      2.135031000      2.964575000
1       -4.103545000      0.829427000      1.142725000
6       -0.553510000     -2.813378000     -1.614409000
9        0.257836000     -1.875159000     -2.138534000
9       -1.180180000     -3.431664000     -2.637416000
6       -0.476310000      3.602539000     -2.434556000
9        0.602630000      3.493932000     -1.623310000
9       -0.681033000      4.912431000     -2.663497000
6        1.295625000      1.591660000      3.118270000
9        1.794214000      0.396352000      2.714211000
9        1.700929000      1.800059000      4.377250000
9        1.891979000      2.531818000      2.335915000
9        0.218636000     -3.736715000     -1.004226000
9       -0.145060000      3.033453000     -3.615542000
6       -3.748113000      2.623910000      3.183984000
6       -4.352702000     -1.841300000      1.712185000
6       -5.133231000      1.789301000     -1.210705000
35      -3.700292000      3.916663000     -3.737701000
35      -0.882653000      3.508412000      5.156358000
35      -2.879944000     -4.717962000      0.131765000
9       -3.810969000      3.504411000      4.194685000
9       -4.221880000      3.237413000      2.075800000
9       -4.584501000      1.606155000      3.471081000
9       -5.703379000      2.339615000     -0.119857000
9       -5.832250000      2.188017000     -2.284722000
9       -5.271053000      0.448161000     -1.105122000
9       -4.080329000     -1.117675000      2.822256000
9       -4.651141000     -3.090111000      2.103903000
9       -5.456418000     -1.311198000      1.146453000
6        2.750285000      1.009676000     -2.051115000
8        2.445226000      0.539044000     -3.134163000
8        3.223773000      2.255470000     -1.874401000
6        3.286149000      3.089342000     -3.064649000
1        2.335018000      3.015297000     -3.595605000
1        4.073880000      2.700062000     -3.718117000
6        3.570980000      4.502478000     -2.601588000
1        3.652281000      5.164324000     -3.469656000
1        4.509716000      4.553104000     -2.041223000
1        2.760444000      4.866042000     -1.964398000
6        2.508549000      0.265533000     -0.790684000
1        2.813355000      0.968234000      0.201769000
6        4.015935000      1.151638000      0.545860000
1        4.028613000      0.517806000      1.430287000
1        4.791219000      0.914693000     -0.172195000
47       0.345622000      0.671651000     -0.290948000
1        3.924720000      2.218647000      0.742767000
6        2.904491000     -1.152147000     -0.670142000
6        3.673510000     -1.800601000     -1.655155000
6        2.494455000     -1.889992000      0.458674000
6        3.995867000     -3.149311000     -1.522803000
6        2.843825000     -3.228283000      0.601187000
6        3.589163000     -3.865484000     -0.394851000
1        3.982994000     -1.257621000     -2.540137000
1        1.894384000     -1.404098000      1.220806000
1        4.569339000     -3.641924000     -2.302404000
1        2.515230000     -3.780626000      1.476322000
1        3.844963000     -4.916265000     -0.295640000

-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









