%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
47              5.091996   -1.034851    9.897622
 9              7.033174   -1.456865    5.300367
 9              5.813350   -2.181014    6.996488
 9              0.239031   -2.049836    9.682788
 9              2.289734   -2.229480   10.486388
 9              6.987110    0.987008   14.045011
 9              6.786806   -0.535975   12.458459
 6              5.766411   -2.969942   10.335964
 7              5.554573    0.308761    7.910599
 7              5.385918    1.644789    8.010134
 7              2.960989    0.130530    9.360278
 7              3.004704    1.362392    8.802936
 7              5.330444    1.201348   10.956361
 7              4.758825    2.283289   10.382446
 6              6.485594    0.063371    7.000296
 6              6.994308    1.278709    6.472325
 6              6.251398    2.278180    7.158521
 6              6.830645   -1.346213    6.642161
 6              1.832935   -0.459084    8.999197
 6              1.075960    0.392502    8.149206
 6              1.875727    1.563737    8.050091
 6              1.556844   -1.875812    9.394156
 6              5.580622    1.481513   12.226014
 6              5.146715    2.797433   12.541896
 6              4.622929    3.280757   11.312426
 6              6.124132    0.439749   13.149008
 8              4.159309   -4.747360   10.414590
 6              5.074489   -4.186450    9.850819
 5              4.273447    2.250130    8.913824
 1              4.027342    3.345966    8.549038
 1              6.799871   -3.167532   10.636106
 8              5.601245   -4.492030    8.661004
 6              4.896793   -5.473349    7.833776
 1              3.830822   -5.422490    8.063234
 1              5.269377   -6.460494    8.124983
 6              5.195972   -5.149542    6.385786
 1              4.786697   -5.938684    5.746797
 1              4.744147   -4.197717    6.100684
 1              6.274382   -5.085972    6.215108
 1              5.260567   -3.041026   12.149824
 6              5.673645   -3.661697   12.975250
 1              6.011421   -4.631129   12.611420
 1              6.486151   -3.104599   13.440484
 1              4.837543   -3.794449   13.665341
 6              7.973144    1.637593    5.530839
 6              8.190730    2.975404    5.284186
 6              7.450449    3.967936    5.971469
 6              6.486981    3.641822    6.904905
 6              4.084984    4.578899   11.228774
 6              5.122877    3.602431   13.693241
 6              4.594862    4.871402   13.600391
 6              4.080557    5.351748   12.372780
 6             -0.148996    0.304187    7.467727
 6              1.445601    2.653169    7.270095
 6              0.236069    2.542242    6.612910
 6             -0.560848    1.377291    6.707957
 9             -0.904570   -0.799013    7.539011
 9             -1.719178    1.341137    6.036078
 9             -0.207913    3.551234    5.854888
 9              2.168643    3.773924    7.134525
 9              5.588943    3.152857   14.865296
 9              4.546419    5.676599   14.669582
 9              3.572685    6.588731   12.342031
 9              3.569679    5.075546   10.095849
 9              8.691511    0.705499    4.891644
 9              9.115255    3.371149    4.399808
 9              7.716681    5.250917    5.703976
 9              5.830266    4.614629    7.552103
 6              8.105952   -1.886646    7.326875
 9              7.966858   -1.836775    8.669468
 9              8.335112   -3.156590    6.973532
 9              9.161956   -1.137308    6.983823
 6              1.905757   -2.888314    8.274190
 9              3.217114   -2.795062    7.959466
 9              1.655048   -4.143110    8.661531
 9              1.190881   -2.619954    7.172085
 6              5.010416   -0.264802   13.960104
 9              4.307179    0.639365   14.655967
 9              4.175757   -0.905945   13.118992
 9              5.529019   -1.158067   14.812903

-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









