%nproc=24
%mem=120GB
#p opt=(Cartes,CalcFC) freq=NoRaman B3LYP gen pseudo=read empiricaldispersion=GD3 nosymm scf=xqc SCRF=(SMD,solvent=n-Hexane)

Ag Carbene - Alcane -- PROJECT

0 1
47       5.706578000     -1.155975000      9.689157976
35       8.020346024      1.955432024      4.890194000
35      -0.604952000     -0.466357024      8.449090000
35       6.295558024      3.303800904     14.078117976
9        7.533491000     -1.195349976      5.162569976
9        6.208798000     -2.110983976      6.630729976
9        8.164639000     -1.390892976      7.240980000
9        6.750696000      4.431484024      6.213429000
9        6.137070000      4.350890000      8.298527000
9        4.646039000      4.232951024      6.717204000
9        1.125778976     -2.084016000     11.282378000
9        3.072286024     -2.726540952     10.558043072
9        1.297279072     -3.033759024      9.333528000
9        0.289933976      2.244021000      7.247413000
9        2.384968976      2.644055000      6.819880000
9        1.465122976      3.453272000      8.619133000
9        7.030780543      0.034858543     13.844424615
9        8.625934904      1.019376000     12.735527385
9        7.662660337     -0.754376952     11.923012735
9        4.045589000      4.731208952     12.523316024
9        2.833685000      3.699563976     11.043795024
9        4.499877000      4.952022000     10.409877024
6        6.240869976     -3.150420000      9.410443024
7        5.631681976      0.288542000      7.750664952
7        5.332609976      1.582425000      7.933994952
7        3.276908000     -0.197581976      9.685842000
7        3.149767000      0.994122000      9.082815000
7        5.921529048      0.977139024     10.747519856
7        5.061549000      1.966170024     10.427536928
6        6.518894000      0.220785024      6.760019976
6        6.818024000      1.511013024      6.282678000
6        6.034418000      2.358302024      7.062593976
6        7.108965000     -1.117163976      6.430501976
6        5.891212000      3.854020024      7.066588000
6        2.112060000     -0.828599000      9.550804024
6        1.192251000     -0.025936000      8.842910000
6        1.901673000      1.135032000      8.554272000
6        1.899044024     -2.168160000     10.181784024
6        1.501758976      2.376323000      7.808821000
6        6.427343096      1.269261000     11.943878832
6        5.878139048      2.471189952     12.432086928
6        5.004345024      2.881969976     11.432865976
6        7.440001976      0.387104904     12.611398880
6        4.093775000      4.077544976     11.351163000
8        5.520963952     -4.747137976     10.599297024
6        5.304764976     -4.233167000      9.498075000
5        4.330673976      1.999562024      9.052466952
1        3.934437976      3.089384024      8.841981952
1        7.243927000     -3.488135024      9.125655072
8        4.378616000     -4.504067000      8.619869976
6        3.386672000     -5.525542000      8.996725976
1        2.880063976     -5.173496000      9.898868976
1        3.918060976     -6.452551000      9.222801976
6        2.442421000     -5.666556000      7.823188952
1        1.672815000     -6.404915000      8.068665952
1        1.954713024     -4.714006000      7.609320952
1        2.975789024     -6.003255000      6.930695976
1        5.916755096     -3.677098591     14.365988505
6        5.349821904     -2.750348711     14.505888505
1        4.566706687     -2.945411976     15.250757241
6        4.752435265     -2.259609567     13.186828409
1        4.136580553     -3.049180615     12.744432072
1        5.565102457     -2.081781326     12.471370674
6        3.913171928     -0.985955759     13.337016265
1        3.531786144     -0.639810807     12.369895144
1        4.506740615     -0.175361639     13.775138505
1        3.050305735     -1.156792000     13.993102976
1        6.032824687     -2.002760687     14.928605890

-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 F 0
6-31G(d,p)
****

Ag Br 0
LANL2DZ









