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

Ag Carbene - Alcane -- PROJECT

0 1
7       -1.541360000      2.212125000     -0.725868000
7       -2.760234000      1.735278000     -0.417789000
7       -1.558102000     -0.857926000     -0.506869000
7       -2.556960000     -0.654906000      0.371925000
7       -0.729117000      1.018080000      1.939912000
7       -2.045071000      1.274364000      1.955318000
5       -2.959952000      0.782220000      0.797466000
6       -1.682804000      2.977419000     -1.805890000
6       -3.026765000      2.998182000     -2.225962000
6       -3.685208000      2.183718000     -1.309055000
6       -1.496748000     -2.167955000     -0.732313000
6       -2.476463000     -2.845544000      0.020114000
6       -3.133393000     -1.838025000      0.718739000
6       -0.187857000      1.677868000      2.963336000
6       -1.176634000      2.391204000      3.671013000
6       -2.357249000      2.101584000      2.990073000
1       -4.088241000      0.800846000      1.141215000
6       -0.507532000     -2.732520000     -1.707714000
9        0.267548000     -1.765344000     -2.234292000
9       -1.134527000     -3.356993000     -2.726905000
6       -0.489221000      3.643392000     -2.418192000
9        0.599391000      3.520300000     -1.621937000
9       -0.696256000      4.957203000     -2.621761000
6        1.302377000      1.669348000      3.087871000
9        1.814998000      0.442753000      2.816780000
9        1.732135000      2.033502000      4.301384000
9        1.865243000      2.517231000      2.181573000
9        0.300725000     -3.639913000     -1.121333000
9       -0.171892000      3.095226000     -3.612753000
6       -3.773320000      2.544340000      3.226935000
6       -4.289454000     -1.887653000      1.674348000
6       -5.130533000      1.791380000     -1.192960000
35      -3.718369000      3.948428000     -3.706586000
35      -0.930965000      3.482849000      5.197019000
35      -2.794551000     -4.709242000      0.015451000
9       -3.857739000      3.396059000      4.260414000
9       -4.267962000      3.173114000      2.136611000
9       -4.579464000      1.496340000      3.489929000
9       -5.701778000      2.325185000     -0.094408000
9       -5.834735000      2.197732000     -2.260724000
9       -5.258762000      0.448212000     -1.102655000
9       -4.018053000     -1.181224000      2.795707000
9       -4.566908000     -3.147921000      2.044192000
9       -5.405404000     -1.362628000      1.128228000
6        2.764911378      0.984736622     -2.053079755
8        2.458668622      0.504059000     -3.134198133
8        3.228408000      2.230817867     -1.882831622
6        3.278206000      3.058463622     -3.083656000
1        2.317712000      2.986487622     -3.595340622
1        4.052090000      2.661186000     -3.747103000
6        3.579769000      4.473408622     -2.634730622
1        3.649419000      5.127874622     -3.511883000
1        4.528666000      4.525145000     -2.094120000
1        2.782879000      4.846904622     -1.988600000
6        2.460670939      0.238125225     -0.808819908
1        3.007193561      1.015867286      0.229971643
6        4.067306020      1.159755153      0.563069041
1        4.102726061      0.562060398      1.473477663
1        4.794352357      0.838400755     -0.175708867
47       0.366398378      0.717589000     -0.287401000
1        4.092678969      2.237292153      0.733202439
6        2.873717622     -1.160917622     -0.636296133
6        3.591541755     -1.864899000     -1.623268378
6        2.481524622     -1.854444000      0.532877622
6        3.872726378     -3.219370000     -1.461332378
6        2.797796000     -3.195819622      0.706805000
6        3.485205000     -3.886230622     -0.295376000
1        3.880831378     -1.360786378     -2.537630755
1        1.924917245     -1.321955245      1.299520245
1        4.397580000     -3.755334378     -2.244144000
1        2.488938378     -3.710807622      1.610660000
1        3.709107622     -4.941308622     -0.173055000

-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









