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

Ag Carbene - Alcane -- PROJECT

0 1
47                5.087820   -1.107801   10.067954
 9                7.625310   -1.600665    5.885761
 9                6.986886   -2.128849    7.930237
 9                0.158750   -1.753661    9.458118
 9                2.130806   -2.122703   10.379826
 9                6.374413    0.773551   14.567482
 9                6.430403   -0.696574   12.921261
 6                5.728912   -3.204913   10.751736
 7                6.083338    0.395038    8.304078
 7                5.675941    1.684033    8.211755
 7                3.087473    0.182332    9.326544
 7                3.241732    1.431782    8.836896
 7                5.301629    1.116215   11.237806
 7                4.873582    2.229617   10.602991
 6                6.899086    0.139167    7.293444
 6                7.058375    1.289618    6.472818
 6                6.243757    2.268186    7.104985
 6                7.604183   -1.175170    7.177893
 6                1.917676   -0.287198    8.918440
 6                1.258176    0.660869    8.092227
 6                2.155213    1.763611    8.068958
 6                1.500745   -1.681099    9.251792
 6                5.334540    1.361080   12.538582
 6                4.889948    2.682180   12.813692
 6                4.604119    3.212278   11.526341
 6                5.675133    0.283890   13.512799
 8                4.884668   -4.682572    9.104937
 6                4.756278   -4.167912   10.196764
 5                4.537549    2.255813    9.091487
 1                4.341565    3.371889    8.774179
 8                3.663963   -4.340658   10.996438
 6                2.792897   -5.418701   10.666940
 1                2.867070   -5.689420    9.613643
 1                1.775281   -5.113947   10.911205
 1                5.381927   -2.874251   11.938736
 6                5.503717   -3.657477   12.914529
 1                5.665363   -4.707153   12.701890
 1                6.344670   -3.175333   13.408640
 1                4.529642   -3.460652   13.358083
 6                7.766151    1.596165    5.297685
 6                7.660370    2.866131    4.774940
 6                6.855155    3.839910    5.408528
 6                6.148290    3.565525    6.562811
 6                4.122123    4.530134   11.398891
 6                4.684493    3.451644   13.970579
 6                4.215267    4.739130   13.832668
 6                3.938748    5.269255   12.551323
 6                0.056486    0.700633    7.364947
 6                1.845385    2.915100    7.319263
 6                0.654303    2.931602    6.621168
 6               -0.238968    1.834233    6.640586
 9               -0.784218   -0.341865    7.355319
 9               -1.369350    1.920627    5.927360
 9                0.323420    4.001356    5.889605
 9                2.666186    3.971596    7.241888
 9                4.921915    2.949287   15.189714
 9                4.001002    5.513075   14.904227
 9                3.477242    6.522223   12.472601
 9                3.823297    5.087969   10.217877
 9                8.529444    0.683805    4.683775
 9                8.314961    3.207410    3.657249
 9                6.790853    5.059457    4.862349
 9                5.414432    4.539362    7.118115
 6                9.077577   -1.102985    7.657019
 9                9.127193   -0.557968    8.888392
 9                9.629291   -2.320306    7.700889
 9                9.794320   -0.330028    6.828844
 6                1.844958   -2.684458    8.127294
 9                3.172939   -2.695469    7.921006
 9                1.451540   -3.926029    8.457578
 9                1.232127   -2.328094    6.990717
 6                4.425271   -0.426967   14.083456
 9                3.621293    0.455484   14.685016
 9                3.745944   -1.020716   13.078743
 9                4.776306   -1.373636   14.966709
 6                7.172167   -3.512468   10.642332
 6                8.112564   -2.511266   10.947811
 6                7.639751   -4.782000   10.249189
 6                9.474984   -2.760851   10.850246
 6                9.002818   -5.022238   10.115458
 6                9.918698   -4.011604   10.415532
 1                7.766810   -1.528753   11.247098
 1                6.935900   -5.572760   10.020559
 1               10.191424   -1.978833   11.073375
 1                9.357065   -5.993198    9.787173
 6               11.387505   -4.225252   10.171420
 9               12.148944   -3.549381   11.061509
 9               11.733023   -5.528983   10.246632
 9               11.741887   -3.789346    8.939849
 6                3.195450   -6.602061   11.527487
 9                4.499190   -6.918654   11.332806
 9                3.047682   -6.334454   12.841418
 9                2.449841   -7.680054   11.229590

-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









