%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       1.654342000     -0.343958000     -0.499059000
7        0.540185000      1.245223000      1.693573000
6        0.690225000      1.041159000      0.406712000
1        0.549838000      1.994808000     -0.119213000
6        0.392095000      2.611661000      2.257614000
1       -0.326976000      3.146860000      1.635578000
1       -0.030016000      2.524515000      3.260747000
6        1.715992000      3.373019000      2.280347000
1        2.124027000      3.457439000      1.269575000
1        2.462272000      2.875847000      2.904835000
1        1.550192000      4.381448000      2.674444000
6        0.623516000      0.134825000      2.661102000
1       -0.280259000      0.161955000      3.277495000
1        0.605297000     -0.780435000      2.071770000
6        1.870455000      0.189103000      3.539126000
1        1.852976000      1.046665000      4.218351000
1        2.770156000      0.240475000      2.921840000
1        1.920579000     -0.720097000      4.146086000
29      -2.733380000      0.761627000     -1.099958000
7       -2.960706000      1.443771000      0.809145000
7       -2.937005000      0.611332000      1.893965000
7       -4.567498000     -2.176261000      0.061992000
7       -4.506347000     -1.150578000      0.957794000
7       -2.005555000     -1.117825000     -0.505378000
7       -2.040686000     -1.507002000      0.803916000
6       -2.922469000      2.688601000      1.280228000
6       -2.871471000      2.694501000      2.684545000
6       -2.877832000      1.348409000      3.027749000
6       -5.810954000     -2.204655000     -0.389001000
6       -6.607827000     -1.209808000      0.208018000
6       -5.726643000     -0.562549000      1.066992000
6       -1.375727000     -2.066983000     -1.182056000
6       -0.952134000     -3.099751000     -0.320873000
6       -1.399953000     -2.695272000      0.929848000
5       -3.144835000     -0.909703000      1.709443000
1       -3.129829000     -1.438177000      2.775069000
35      -2.833398000      0.617987000      4.748376000
35      -2.756977000      4.171682000      3.827068000
35      -2.882949000      4.173649000      0.136563000
35      -6.131393000      0.872523000      2.208014000
35      -8.419005000     -0.824724000     -0.090927000
35      -6.318162000     -3.447295000     -1.712504000
35      -1.148794000     -3.557522000      2.573052000
35      -0.040822000     -4.680201000     -0.743445000
35      -1.219231000     -1.970421000     -3.048559000
1       -5.896759000      1.014117000     -2.086737000
1       -6.478348000      0.990522000     -3.767899000
6       -6.068994000      0.375789000     -2.959353000
1       -6.812560000     -0.379709000     -2.693433000
6       -4.767307000     -0.298584000     -3.380249000
1       -4.929520000     -0.980339000     -4.219582000
1       -4.342095000     -0.871610000     -2.554307000
7       -3.757661000      0.702275000     -3.792228000
6       -2.930391000      1.216207000     -2.923485000
1       -2.256020000      1.928603000     -3.412044000
1       -4.747410000      0.977251000     -5.619441000
6       -3.725032000      1.036994000     -5.236203000
1       -3.111512000     -0.949233000     -5.888512000
1       -2.804039000      0.342594000     -7.063183000
6       -2.796656000      0.093466000     -5.997325000
1       -1.770759000      0.187504000     -5.626897000
1       -3.389264000      2.071686000     -5.330575000
7        3.086884000     -1.373544000      0.780600000
7        4.405305000     -1.113203000      0.977925000
7        5.257473000     -1.994022000     -1.646667000
7        5.773810000     -0.836477000     -1.154244000
7        3.314833000      1.094793000     -1.156612000
7        4.385291000      1.127638000     -0.312318000
6        2.774237000     -2.411109000      1.560022000
6        3.896288000     -2.841363000      2.284611000
6        4.924429000     -1.991331000      1.888274000
6        5.975002000     -2.280715000     -2.737552000
6        6.962963000     -1.306088000     -2.971930000
6        6.806422000     -0.392877000     -1.934491000
6        3.008439000      2.379892000     -1.438007000
6        3.900102000      3.248434000     -0.763461000
6        4.752522000      2.410170000     -0.068479000
5        5.207514000     -0.118282000      0.106418000
1        6.127649000      0.298486000      0.753331000
6        2.275903000     -2.728146000     -2.386838000
7        1.839878000     -1.830318000     -1.802199000
6        2.804507000     -3.863959000     -3.118316000
1        3.362209000     -3.511335000     -3.990050000
1        1.983863000     -4.507848000     -3.447922000
1        3.476742000     -4.430250000     -2.467720000
1        3.928681000      4.327059000     -0.809677000
1        5.613211000      2.628970000      0.546152000
1        7.693509000     -1.260805000     -3.767495000
1        5.759569000     -3.178574000     -3.303798000
1        3.964015000     -3.643359000      3.005452000
1        1.759115000     -2.783635000      1.575816000
6        7.554956000      0.861070000     -1.664646000
6        7.212248000      2.039239000     -2.359626000
6        8.611909000      0.873947000     -0.730714000
6        7.918321000      3.217807000     -2.093818000
6        9.293260000      2.072702000     -0.491943000
6        8.958012000      3.256957000     -1.158470000
1        7.646392000      4.126532000     -2.626755000
1       10.106988000      2.080808000      0.230517000
6        6.333065000     -1.975286000      2.350647000
6        7.228429000     -2.972855000      1.909907000
6        6.758923000     -0.993623000      3.270307000
6        8.540495000     -2.966877000      2.396101000
6        8.082664000     -1.017932000      3.723421000
6        8.988611000     -1.995743000      3.298491000
1        9.232583000     -3.733171000      2.053244000
1        8.411926000     -0.258665000      4.429548000
6        1.876276000      2.780625000     -2.298339000
6        1.167976000      3.943351000     -1.937359000
6        1.487975000      2.088644000     -3.467310000
6        0.103684000      4.449857000     -2.683951000
6        0.413168000      2.602953000     -4.207363000
6       -0.283917000      3.761722000     -3.852630000
1        1.460322000      4.465423000     -1.029840000
1        0.120163000      2.081266000     -5.116422000
6        8.990016000     -0.377275000      0.020625000
1        9.085006000     -1.236622000     -0.651105000
1        9.936602000     -0.248618000      0.553050000
1        8.223158000     -0.636818000      0.755479000
6        9.681701000      4.547043000     -0.854078000
1        9.645529000      5.238233000     -1.702367000
1        9.226868000      5.059613000      0.003973000
1       10.732464000      4.367858000     -0.602651000
6        6.092037000      2.034097000     -3.371236000
1        5.195460000      1.568387000     -2.956108000
1        5.836586000      3.049870000     -3.685441000
1        6.365221000      1.460239000     -4.264542000
6        5.804206000      0.066053000      3.765984000
1        6.260774000      0.670209000      4.555100000
1        5.502915000      0.738321000      2.955242000
1        4.886414000     -0.381438000      4.162489000
6       10.423642000     -1.983248000      3.767610000
1       10.810636000     -2.998819000      3.902027000
1       11.070701000     -1.486567000      3.032953000
1       10.533369000     -1.446402000      4.714995000
6        6.789104000     -4.026727000      0.920944000
1        6.291753000     -3.574071000      0.056937000
1        7.644175000     -4.608419000      0.564215000
1        6.072172000     -4.723216000      1.370989000
6       -1.421402000      4.266774000     -4.705493000
1       -2.368144000      4.271728000     -4.150183000
1       -1.248337000      5.298184000     -5.036333000
1       -1.556348000      3.646665000     -5.596061000
6        2.184747000      0.845074000     -3.960906000
1        1.944374000      0.661692000     -5.013068000
1        3.270329000      0.917382000     -3.858239000
1        1.878378000     -0.030730000     -3.384488000
6       -0.597501000      5.717380000     -2.262040000
1       -0.274224000      6.040308000     -1.268535000
1       -0.393712000      6.536673000     -2.963856000
1       -1.685994000      5.592304000     -2.242947000

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

Cu 0
SDD





