%nproc=24
%mem=120GB
#p opt=(CalcFC) 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       5.205542000     -1.260187000     10.348148000
35       7.949761000      0.280973000      4.815758000
35      -0.830594000     -0.413689000      8.660730000
35       6.109740000      4.279595000     13.296489000
6        5.918494111     -3.253342332     10.990575998
7        5.562820000     -0.393590000      8.066169000
7        5.273204000      0.914698000      7.820726000
7        3.067814000     -0.202574000      9.869130000
7        3.028774000      0.847408000      9.004697000
7        5.673052000      1.090298000     10.775956000
7        4.993094000      2.041506000     10.079042000
6        6.449832000     -0.770204000      7.154637000
6        6.764378000      0.289388000      6.280564000
6        5.987955000      1.345883000      6.750557000
6        1.855574000     -0.741752000      9.881067000
6        0.984967000     -0.055676000      9.012615000
6        1.784037000      0.952030000      8.474717000
6        6.111001000      1.666157000     11.886094000
6        5.731938000      3.020252000     11.947731000
6        5.014939000      3.210809000     10.767632000
8        3.952398556     -4.615518000     11.465339000
6        4.792588778     -4.184862889     10.696736333
5        4.296203000      1.700578000      8.731964000
1        3.980608000      2.706839000      8.193077000
8        4.792178000     -4.361313667      9.357723333
6        3.555170222     -4.764716000      8.708564111
1        2.784197111     -4.904907111      9.467779000
1        3.761066333     -5.726606000      8.230336111
6        3.186180111     -3.697478000      7.695617111
1        2.258656111     -3.974151111      7.184432111
1        3.035270000     -2.733850000      8.191573000
1        3.977860000     -3.575232000      6.948651111
1        5.782648112     -3.036528226     12.373033559
6        6.003525111     -3.705173333     13.247673446
1        6.041272000     -4.756206777     12.980126889
1        6.959642667     -3.325436001     13.611900891
1        5.153578112     -3.482179112     13.898104004
35       1.531282000     -2.260807000     10.949238000
35       1.291178000      2.261925000      7.213437000
35       7.132262000     -2.527815000      7.171002000
35       5.903484000      3.102566000      6.072681000
35       4.185850000      4.794304000     10.172687000
35       7.094062000      0.659338000     13.149314000
6        7.308563222     -3.599938889     10.680146222
6        8.309417111     -2.612845000     10.815491111
6        7.671959000     -4.860979778     10.169598889
6        9.622410111     -2.874273000     10.442265889
6        8.981369000     -5.109165889      9.761106000
6        9.958789111     -4.119991000      9.900789000
1        8.037601222     -1.635135000     11.204912111
1        6.916998000     -5.631714778     10.053552000
1       10.380897000     -2.102142000     10.547744889
1        9.242257889     -6.078162889      9.344416000
1       10.979705111     -4.319691000      9.588951000

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

Ag Br 0
LANL2DZ









