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

Ag Carbene - Alcane -- PROJECT

0 1
47       4.363049000     -0.953993000     10.732617000
35       7.529709000      0.224249000      5.432854000
35      -1.271540000      0.630914000      8.923013000
35       5.769707000      4.293090000     14.137719000
9        5.686254000     -2.501528000      6.300599000
9        5.237320000     -2.747616000      8.416106000
9        7.284255000     -2.382962000      7.768789000
9        6.986162000      3.191549000      6.138164000
9        6.291147000      3.803055000      8.106605000
9        4.872159000      3.573414000      6.471621000
9       -0.412437000     -1.277995000     11.290268000
9        1.545065000     -1.239979000     12.245309000
9        1.266909000     -2.334972000     10.389387000
9        0.148456000      2.792642000      7.274722000
9        2.279400000      2.641330000      6.868580000
9        1.551646000      4.026387000      8.381883000
9        5.641033000      0.713533000     14.547362000
9        7.576085000      1.481622000     13.923974000
9        6.720136000     -0.251623000     12.922800000
9        4.175707000      5.755258000     11.932329000
9        2.792371000      4.608358000     10.706501000
9        4.692675000      5.272345000      9.877242000
7        4.965683000     -0.074791000      8.585524000
7        4.969336000      1.262772000      8.430031000
7        2.556401000      0.417569000     10.319571000
7        2.682327000      1.459947000      9.481053000
7        5.328280000      1.380406000     11.314572000
7        4.714222000      2.397839000     10.684515000
6        5.772449000     -0.582820000      7.654500000
6        6.332252000      0.447258000      6.876134000
6        5.793891000      1.614991000      7.408326000
6        5.994984000     -2.061663000      7.533330000
6        5.987536000      3.055471000      7.023136000
6        1.286822000      0.010604000     10.272345000
6        0.558843000      0.800375000      9.363556000
6        1.492433000      1.716263000      8.877529000
6        0.903661000     -1.212157000     11.055074000
6        1.361081000      2.806092000      7.847076000
6        5.743763000      1.846972000     12.488787000
6        5.393843000      3.204508000     12.638611000
6        4.733627000      3.521107000     11.456803000
6        6.425886000      0.949264000     13.474157000
6        4.100139000      4.800880000     10.992724000
5        4.057328000      2.177982000      9.298708000
1        3.890666000      3.211030000      8.757888000
6        5.057639000     -2.553226000     11.761674000
1        5.740723000     -2.523287000     12.617084000
7        7.729863000     -1.513327000     10.516421000
7        8.002683000     -0.499412000     10.174120000
9        3.950848000     -4.171135000     10.409700000
6        4.911783000     -3.982008000     11.323263000
9        4.652336000     -4.792192000     12.367649000
9        6.098396000     -4.321387000     10.769443000

-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





