%nprocshared=24
%mem=360GB
#p  B3LYP EmpiricalDispersion=GD3 integral=(grid=ultrafine)    FREQ  SCRFDef=AsymmetricIEFPCM  SCRF=(SMD,SOLVENT=dichloromethane) GEN  pseudo=read   scfcyc=100 scf=xqc

Ru-H + water

 0 1
29       2.468834000      0.130163000      1.223346000
7       -0.247557000      0.627829000     -2.289171000
6        0.260564000     -0.048329000     -1.300679000
1        0.958711000     -0.799828000     -1.684980000
6        0.059894000      0.284593000     -3.706835000
1       -0.041073000     -0.799602000     -3.801425000
1       -0.707515000      0.742383000     -4.333207000
6        1.454474000      0.734948000     -4.124968000
1        2.215151000      0.245964000     -3.511281000
1        1.569251000      1.817224000     -4.028794000
1        1.632861000      0.457040000     -5.168168000
6       -1.227472000      1.713310000     -2.070341000
1       -2.175965000      1.388623000     -2.505150000
1       -1.353714000      1.799554000     -0.991576000
6       -0.799211000      3.043959000     -2.680693000
1       -0.717338000      2.990202000     -3.770184000
1        0.156276000      3.382621000     -2.277239000
1       -1.555098000      3.797063000     -2.440657000
29      -0.161387000     -0.101832000      0.574362000
7       -3.067975000     -0.908642000     -0.960537000
7       -4.072211000     -0.089210000     -1.382461000
7       -5.571615000      0.543192000      2.011673000
7       -5.371276000     -0.069635000      0.811708000
7       -3.027139000      1.556862000      1.293194000
7       -3.835266000      1.856626000      0.239665000
6       -2.682804000     -1.598581000     -2.020867000
6       -3.410233000     -1.237189000     -3.173153000
6       -4.294981000     -0.269951000     -2.710752000
6       -6.095357000     -0.368203000      2.814050000
6       -6.275473000     -1.600640000      2.160102000
6       -5.811068000     -1.355644000      0.871729000
6       -2.404992000      2.677785000      1.616932000
6       -2.764489000      3.742647000      0.765286000
6       -3.686332000      3.164761000     -0.099460000
5       -4.812783000      0.805194000     -0.359207000
1       -5.697132000      1.376934000     -0.920343000
35      -5.594414000      0.646092000     -3.702849000
35      -3.223336000     -1.894076000     -4.920440000
35      -1.334346000     -2.909393000     -1.892219000
35      -5.868446000     -2.567862000     -0.564060000
35      -6.952097000     -3.206976000      2.856769000
35      -6.484248000      0.048505000      4.613531000
35      -4.565347000      3.981987000     -1.541368000
35      -2.145169000      5.513578000      0.782164000
35      -1.271573000      2.748117000      3.125509000
1       -1.615071000     -3.149855000      1.222542000
1       -2.305693000     -3.672330000      2.776277000
6       -2.454051000     -3.019080000      1.909917000
1       -3.366292000     -3.337122000      1.395997000
6       -2.595189000     -1.553912000      2.306971000
1       -3.468125000     -1.404249000      2.947305000
1       -2.711528000     -0.930429000      1.425920000
7       -1.413003000     -1.055344000      3.049856000
6       -0.432732000     -0.455351000      2.444343000
1        0.345077000     -0.159975000      3.149721000
1       -2.312282000     -0.651877000      4.883673000
6       -1.496615000     -1.286109000      4.517678000
1        0.075340000      0.031590000      5.261698000
1       -0.390418000     -1.287303000      6.340573000
6       -0.216976000     -1.022049000      5.293296000
1        0.613034000     -1.631392000      4.920684000
1       -1.812101000     -2.325371000      4.651547000
7        2.822347000      1.403983000     -0.382952000
7        3.725929000      1.054990000     -1.347623000
7        5.494094000      0.979339000      0.724051000
7        5.369949000     -0.202441000      0.054856000
7        2.872436000     -1.626570000      0.172896000
7        3.467593000     -1.445052000     -1.045385000
6        2.451886000      2.654830000     -0.638146000
6        3.102968000      3.148885000     -1.782935000
6        3.911728000      2.095326000     -2.191928000
6        6.165801000      0.706862000      1.830772000
6        6.509048000     -0.656959000      1.916147000
6        5.983983000     -1.194778000      0.747746000
6        2.250869000     -2.801678000      0.127556000
6        2.399236000     -3.400916000     -1.136157000
6        3.181075000     -2.496367000     -1.848320000
5        4.487922000     -0.282153000     -1.233927000
1        5.129924000     -0.482944000     -2.215163000
35       5.050852000      2.034820000     -3.673806000
35       2.901945000      4.826940000     -2.590261000
35       1.223909000      3.551580000      0.454954000
35       6.522351000      2.065059000      3.088309000
35       7.421505000     -1.549701000      3.290702000
35       6.084263000     -2.969421000      0.147651000
35       1.373830000     -3.492234000      1.633290000
35       1.728840000     -5.049796000     -1.719599000
6        3.246851000      0.561390000      4.154493000
7        2.823317000      0.425818000      3.084983000
6        3.785624000      0.719103000      5.493058000
1        3.079132000      0.314222000      6.223875000
1        3.956095000      1.779537000      5.699703000
1        4.734189000      0.179143000      5.567682000
35       3.759743000     -2.627641000     -3.620824000

Cu 0
SDD
F 1 1.00
3.525 1.0
 ****
B C N H BR 0
6-31g(d,p)
 ****

Cu 0
SDD





