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

Ag Carbene - Alcane -- PROJECT

0 1
9        6.883043000     -0.732475000      4.264857000
9        4.701638000     -0.887936000      4.602599000
9        0.275461000     -2.104371000     10.051126000
9        2.395155000     -2.254438000     10.644848000
9        6.855508000      1.117169000     13.865319000
9        6.884610000     -0.370570000     12.233853000
7        4.906066000      0.577755000      6.864879000
7        5.265746000      1.461365000      7.822509000
7        2.972566000     -0.034038000      9.193100000
7        2.912441000      1.189711000      8.622963000
7        5.280119000      1.200961000     10.728551000
7        4.612866000      2.222089000     10.146907000
6        6.004228000      0.159900000      6.258496000
6        7.161633000      0.762074000      6.827175000
6        6.630391000      1.623782000      7.827121000
6        5.916099000     -0.900157000      5.210589000
6        1.798599000     -0.630477000      9.042837000
6        0.911784000      0.201527000      8.311502000
6        1.678428000      1.373733000      8.065502000
6        1.552678000     -1.996967000      9.598544000
6        5.461069000      1.488784000     12.008266000
6        4.875605000      2.744729000     12.322225000
6        4.340388000      3.185026000     11.081191000
6        6.093491000      0.492318000     12.927265000
5        4.146778000      2.131189000      8.676350000
1        3.853601000      3.211362000      8.279032000
6        8.549881000      0.630622000      6.670684000
6        9.382196000      1.372420000      7.479198000
6        8.853822000      2.262319000      8.440645000
6        7.491937000      2.407329000      8.616632000
6        3.656929000      4.411863000     10.995350000
6        4.727060000      3.526434000     13.480153000
6        4.060535000      4.728478000     13.383816000
6        3.530352000      5.163702000     12.146378000
6       -0.402550000      0.092786000      7.826284000
6        1.120863000      2.452741000      7.353746000
6       -0.175795000      2.324395000      6.898681000
6       -0.937194000      1.153313000      7.129464000
9       -1.123580000     -1.019508000      8.019109000
9       -2.183951000      1.099179000      6.642919000
9       -0.744646000      3.319875000      6.210022000
9        1.803945000      3.575048000      7.095219000
9        5.205179000      3.117113000     14.661658000
9        3.888401000      5.508132000     14.459660000
9        2.881680000      6.333419000     12.113373000
9        3.115215000      4.858091000      9.852810000
9        9.075481000     -0.245557000      5.802311000
9       10.714775000      1.220980000      7.404151000
9        9.707090000      2.970060000      9.190215000
9        7.042037000      3.280879000      9.530185000
6        6.100923000     -2.321541000      5.787939000
9        7.311367000     -2.436972000      6.368628000
9        5.163557000     -2.551690000      6.730515000
9        5.991248000     -3.258549000      4.841873000
6        1.760993000     -3.129755000      8.568225000
9        0.979156000     -2.923906000      7.500679000
9        3.046757000     -3.148025000      8.165432000
9        1.467428000     -4.325399000      9.096645000
6        5.044683000     -0.351665000     13.694959000
9        4.241501000      0.465077000     14.398326000
9        4.275256000     -1.039452000     12.819793000
9        5.623750000     -1.212778000     14.528851000
1        6.595240000     -4.454948000      7.922308000
1        4.856266000     -4.762798000      8.416713000
6        5.886284000     -4.606639000      8.733451000
1        6.220602000     -5.329728000      9.469055000
1        5.784957000     -3.485065000      9.188755000
6        6.324663000     -2.841017000     10.185472000
6        5.764985000     -3.440058000     11.431906000
8        6.259629000     -3.211997000     12.521691000
8        4.619046000     -4.117451000     11.249501000
6        3.920100000     -4.502428000     12.466330000
1        4.594016000     -5.106270000     13.082046000
1        3.680971000     -3.591305000     13.022420000
6        2.681270000     -5.267283000     12.053746000
1        2.139040000     -5.591975000     12.947450000
1        2.945824000     -6.154865000     11.470661000
1        2.020417000     -4.640509000     11.453767000
47       5.039968000     -1.067806000      9.780806000
6        7.784920000     -2.805873000     10.039920000
6        8.367445000     -1.868467000      9.164047000
6        8.632620000     -3.696164000     10.736033000
6        9.747070000     -1.812980000      8.988769000
6       10.010736000     -3.634215000     10.568886000
6       10.569195000     -2.695765000      9.693847000
1        7.721632000     -1.184918000      8.625410000
1        8.205810000     -4.416810000     11.424256000
1       10.184684000     -1.088299000      8.311169000
1       10.653425000     -4.315657000     11.117831000
1       11.646495000     -2.651400000      9.563071000

-Ag 0
LANL2DZ
F 1 1.000
1.611 1.000
****
-C N H B O F 0
6-31G(d,p)
****

Ag 0
LANL2DZ









