%nproc=28
%mem=120GB
#p opt=(TS,Cartes,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
47       5.123573000     -1.155445000     10.076650000
35       8.194177000      0.958332000      5.011502000
35      -0.685689000     -0.112066000      7.927155000
35       5.414361000      3.624407000     14.076314000
9        6.326949000     -1.969089000      5.269904000
9        5.882829000     -2.577725000      7.312885000
9        7.918888000     -2.042722000      6.746028000
9        7.424918000      3.742430000      6.180626000
9        6.512772000      3.972360000      8.142809000
9        5.265382000      3.927787000      6.359701000
9        0.331190000     -1.551865000     10.961891000
9        2.394899000     -2.244459000     10.930363000
9        1.055509000     -2.721815000      9.280470000
9        0.600415000      2.339136000      6.537604000
9        2.761011000      2.519937000      6.362100000
9        1.693498000      3.642557000      7.890963000
9        5.655395000     -0.518064000     13.369295000
9        7.104076000      0.949579000     14.070212000
9        7.516106000     -0.232531000     12.288623000
9        3.836101000      5.183704000     11.945245000
9        2.735202000      4.080138000     10.429082000
9        4.601747000      5.075530000      9.913941000
6        5.996560000     -3.124362000     10.642097000
7        5.436509000     -0.003730000      7.859307000
7        5.377406000      1.338389000      7.934428000
7        2.995677000      0.055943000      9.676863000
7        3.061043000      1.161222000      8.912137000
7        5.620471000      1.131737000     10.842666000
7        4.922976000      2.144490000     10.308832000
6        6.339745000     -0.302794000      6.929041000
6        6.893104000      0.871458000      6.380851000
6        6.250939000      1.903725000      7.057166000
6        6.617812000     -1.730501000      6.566741000
6        6.365826000      3.394372000      6.928592000
6        1.805255000     -0.497916000      9.457969000
6        1.068493000      0.259783000      8.526376000
6        1.914220000      1.313276000      8.194995000
6        1.396429000     -1.754256000     10.163692000
6        1.735887000      2.461344000      7.242833000
6        5.880851000      1.455374000     12.108958000
6        5.333501000      2.716803000     12.418133000
6        4.728683000      3.125905000     11.231115000
6        6.547085000      0.428602000     12.970121000
6        3.974186000      4.377313000     10.881719000
8        4.341745000     -4.644443000     11.569044000
6        4.880726000     -4.118163000     10.615242000
5        4.348659000      2.033752000      8.868231000
1        4.092141000      3.108906000      8.456151000
8        4.491995000     -4.269909000      9.333606000
6        3.276283000     -5.030399000      9.098580000
1        2.514966000     -4.705189000      9.810126000
1        3.488653000     -6.089314000      9.281419000
6        2.868660000     -4.763294000      7.665042000
1        1.964708000     -5.332731000      7.426248000
1        2.653897000     -3.701405000      7.520436000
1        3.660533000     -5.058359000      6.970405000
1        6.126687000     -2.786409000     11.876266000
6        6.583988000     -3.403759000     12.831073000
1        6.740382000     -4.460149000     12.649203000
1        7.502404000     -2.838378000     12.984651000
1        5.798330000     -3.210127000     13.559603000
6        7.285771000     -3.450936000     10.015322000
6        8.296382000     -2.468374000      9.948665000
6        7.537444000     -4.716505000      9.447898000
6        9.512956000     -2.740514000      9.334604000
6        8.744044000     -4.974521000      8.803337000
6        9.735560000     -3.991491000      8.750262000
1        8.111724000     -1.491746000     10.383383000
1        6.773792000     -5.486059000      9.485801000
1       10.279595000     -1.973041000      9.289947000
1        8.915207000     -5.945419000      8.348287000
1       10.677913000     -4.197662000      8.251346000

-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









