%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
7       -1.660170000      2.260810000     -0.784021000
7       -2.841582000      1.731645000     -0.358337000
7       -1.508225287     -0.755453000     -0.855228000
7       -2.343340000     -0.694775000      0.217721000
7       -0.591880000      0.877210000      1.854770000
7       -1.931625000      1.116634000      1.914684000
5       -2.866504000      0.655803000      0.762296000
6       -1.949906000      3.173316000     -1.703992000
6       -3.338732000      3.270584000     -1.902341000
6       -3.863848000      2.326721000     -1.019822000
6       -1.185152000     -2.035815000     -1.013912000
6       -1.796690000     -2.842908000     -0.033880000
6       -2.524353000     -1.934346000      0.731951000
6       -0.061739000      1.464331000      2.920006000
6       -1.039975000      2.103373000      3.706475000
6       -2.222874000      1.854133000      3.013411000
1       -3.975286000      0.535995000      1.171556000
35      -4.270524000      4.411533000     -3.074728000
35      -0.814850000      3.055408000      5.316405000
35      -1.664431000     -4.708527000      0.194729000
6        2.707754287      0.847876713     -2.332068574
8        2.546287713      0.153409713     -3.320419574
8        3.045233000      2.151303426     -2.368538713
6        3.107080000      2.749954000     -3.693641000
1        2.136948000      2.611161713     -4.179400713
1        3.859202000      2.220367000     -4.286820000
6        3.452828000      4.212763000     -3.509316000
1        3.499662000      4.704755713     -4.484583000
1        4.423825000      4.327882000     -3.017912000
1        2.697772000      4.719596000     -2.900107000
6        2.349939405      0.338503559     -0.982403154
1        2.891281506      1.278596015     -0.080293706
6        3.959072007      1.438889441      0.201888728
1        4.080248448      0.845050294      1.106937868
1        4.666547419      1.164637000     -0.575114000
47       0.287232287      1.034047000     -0.618108000
1        3.943102757      2.520311015      0.374812309
35      -0.559851000      4.120247000     -2.560355000
35      -5.675993000      1.899568000     -0.744735000
35       1.804762000      1.386829000      3.227881000
35      -3.964698000      2.425939000      3.444744000
35      -3.578715000     -2.265900000      2.257984000
35      -0.029918000     -2.548222000     -2.411266000
6        2.705428713     -1.018209713     -0.562768574
6        2.044967000     -1.582740000      0.550950000
6        3.637128574     -1.811793000     -1.266504000
6        2.293628000     -2.894754713      0.936138000
6        3.868406287     -3.131483000     -0.889273000
6        3.200601000     -3.674003713      0.212983000
1        1.318350713     -0.986292713      1.095289426
1        4.139846287     -1.400404000     -2.135383287
1        1.766879000     -3.317328000      1.787335000
1        4.568222000     -3.736809000     -1.454645000
1        3.384353000     -4.704231713      0.503665000

-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









