%nproc=28
%mem=120GB
#p opt=(CalcFC) 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        6.900426000     -0.661446000      4.317573000
9        4.742858000     -0.926439000      4.736814000
9        0.271206000     -2.140093000      9.911171000
9        2.373065000     -2.278006000     10.574110000
9        6.837334000      1.071425000     13.958636000
9        6.858484000     -0.408765000     12.319626000
7        4.952657000      0.563725000      6.964507000
7        5.299413000      1.465498000      7.910028000
7        2.973949000     -0.015096000      9.218013000
7        2.931828000      1.221970000      8.674883000
7        5.282111000      1.187730000     10.812884000
7        4.629081000      2.217882000     10.231600000
6        6.055612000      0.164531000      6.353046000
6        7.203108000      0.802320000      6.904150000
6        6.659764000      1.659167000      7.901271000
6        5.979397000     -0.888816000      5.296372000
6        1.809129000     -0.611551000      9.009875000
6        0.946803000      0.236018000      8.267520000
6        1.717385000      1.416140000      8.078258000
6        1.560844000     -1.999603000      9.510212000
6        5.456784000      1.467598000     12.096064000
6        4.882596000      2.727666000     12.411443000
6        4.361027000      3.179155000     11.168689000
6        6.073591000      0.461270000     13.014106000
5        4.176934000      2.143793000      8.754009000
1        3.908010000      3.231786000      8.361579000
6        8.592476000      0.716798000      6.727709000
6        9.414193000      1.485965000      7.521885000
6        8.870610000      2.366683000      8.484239000
6        7.507158000      2.469703000      8.677995000
6        3.693495000      4.414906000     11.083101000
6        4.735491000      3.505923000     13.572053000
6        4.085235000      4.716693000     13.476071000
6        3.569050000      5.163624000     12.236440000
6       -0.348935000      0.135219000      7.732708000
6        1.180946000      2.511828000      7.376116000
6       -0.098047000      2.390798000      6.871084000
6       -0.862307000      1.211366000      7.043612000
9       -1.071464000     -0.983518000      7.872885000
9       -2.090471000      1.166103000      6.511326000
9       -0.646359000      3.402034000      6.189162000
9        1.867684000      3.643738000      7.174849000
9        5.199799000      3.083673000     14.754537000
9        3.915248000      5.493887000     14.553492000
9        2.935742000      6.341209000     12.204249000
9        3.165121000      4.871589000      9.938965000
9        9.132441000     -0.149591000      5.856679000
9       10.747222000      1.379009000      7.424212000
9        9.710518000      3.104769000      9.218393000
9        7.039581000      3.331783000      9.593706000
6        6.255691000     -2.311351000      5.835649000
9        7.515904000     -2.404643000      6.296805000
9        5.418025000     -2.578092000      6.864611000
9        6.074408000     -3.239925000      4.893537000
6        1.828480889     -3.086832000      8.443036000
9        1.089567000     -2.839814000      7.351958000
9        3.131890000     -3.066057000      8.092566000
9        1.535259000     -4.307092000      8.899967000
6        5.014103000     -0.377986000     13.772864000
9        4.205943000      0.437352000     14.467726000
9        4.250890000     -1.066494000     12.887709000
9        5.581419000     -1.245215000     14.608874000
1        6.527145222     -4.558048224      8.092577554
1        4.800789111     -4.887209226      8.610843109
6        5.821319999     -4.645443557      8.918292888
1        6.179505555     -5.298880000      9.710891555
1        5.689534001     -3.584930228      9.261817888
6        6.301458556     -2.806599998     10.290599557
6        5.766825889     -3.400743000     11.549007667
8        6.311628000     -3.224745111     12.619091667
8        4.555441667     -3.986534111     11.409813000
6        3.907363889     -4.343361000     12.636779000
1        4.608494000     -4.806404889     13.333364000
1        3.462854889     -3.461499000     13.101123111
47       5.016439000     -1.052435889      9.855230000
6        7.752862111     -2.810857222     10.072059667
6        8.287025000     -1.915075111      9.120382000
6        8.640245000     -3.647533889     10.783254889
6        9.655114000     -1.849036000      8.886692111
6       10.010402111     -3.568610889     10.568381000
6       10.514190111     -2.672662000      9.620124000
1        7.613222111     -1.271175111      8.567473889
1        8.256109000     -4.336379000     11.524256889
1       10.058611000     -1.164237000      8.148951111
1       10.690991000     -4.200124889     11.131129000
6        2.822412000     -5.344772000     12.295566111
9        1.867232000     -4.822741000     11.508616000
9        3.332167000     -6.423120000     11.667917000
9        2.238067000     -5.761264000     13.439967000
6       11.995461000     -2.578651000      9.345845000
9       12.437254111     -1.310353000      9.485631000
9       12.723072000     -3.360038000     10.170704000
9       12.275897111     -2.954117000      8.077067000

-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









