%nprocshared=32
%mem=96GB
#p  B3LYP EmpiricalDispersion=GD3 integral=(grid=ultrafine) opt=(calcfc,cartesian)  optcyc=100   FREQ SCRFDef=AsymmetricIEFPCM  SCRF=(SMD,SOLVENT=dichloromethane) GEN   scfcyc=100 scf=xqc

Ru-H + water

 0 1
7        1.062224000      0.016254000      0.530253000
7       -1.062164000     -0.019947732      0.530251000
6        0.000029000     -0.000004000     -0.335768000
6        0.677771000      0.008283000      1.872335000
1        1.393213000      0.015219000      2.680281000
6       -0.677727000     -0.007252000      1.872334000
1       -1.393177000     -0.017934732      2.680276000
6       -2.434462000     -0.026874732      0.101020000
6       -3.065109268      1.201018268     -0.174219928
6       -4.402713268      1.162322536     -0.594021928
1       -4.915219536      2.094602536     -0.819547856
6       -5.077771000     -0.047972464     -0.726033268
1       -6.113628000     -0.055807464     -1.054442268
6       -4.429939732     -1.248541732     -0.438478608
1       -4.971323464     -2.182567732     -0.548553680
6       -3.096187732     -1.266715732     -0.013502608
6       -2.344361536      2.536625268     -0.037828320
1       -1.318998536      2.335775268      0.290547144
6       -2.362765464     -2.578967732      0.255073052
1       -1.583406660     -2.373284268      0.997344249
6       -3.264092928     -3.678307000      0.837483320
1       -3.997811732     -4.033532732      0.104008124
1       -3.809934856     -3.327263536      1.720666124
1       -2.655022660     -4.538394268      1.131503249
6       -1.660780804     -3.065205196     -1.030409751
1       -1.090399536     -3.980935196     -0.832548823
1       -0.976612072     -2.305396928     -1.413138019
1       -2.401370340     -3.288508660     -1.810096215
6        2.434527000      0.026948732      0.101014000
6        3.096574732      1.266628732     -0.013491608
6        4.430299732      1.252229464     -0.438529608
1        4.971930464      2.186115464     -0.548571680
6        5.077800000      0.047390464     -0.726172268
1        6.113641000      0.059077196     -1.054640268
6        4.402446268     -1.162734536     -0.594141928
1        4.914713536     -2.095139536     -0.819691856
6        3.064859268     -1.201102268     -0.174249928
6        2.363492464      2.579048732      0.255238052
1        1.584773660      2.373704268      0.994193517
6        2.343822536     -2.536539268     -0.037716320
1        1.322609268     -2.335422268      0.290619144
6        2.255771072     -3.263882144     -1.392150249
1        3.248814340     -3.523069412     -1.770889713
1        1.760070072     -2.637553483     -2.140796320
1        1.684456340     -4.193606144     -1.287883177
6        3.008759536     -3.423564660      1.029335019
1        2.450602804     -4.359123660      1.149841091
1        3.041295000     -2.919621320      1.999007483
1        4.039390536     -3.681601660      0.748451823
6       -2.256440072      3.263765144     -1.392389249
1       -3.249530340      3.522627412     -1.771231713
1       -1.760551072      2.637421483     -2.145010052
1       -1.685364340      4.193653144     -1.288263177
6       -3.009498536      3.423662660      1.029091019
1       -2.451559804      4.359372660      1.149451091
1       -3.041900000      2.919858320      1.998844483
1       -4.036084804      3.681416660      0.748182823
6        1.664498536      3.064878196     -1.029809751
1        1.090249536      3.980722196     -0.831759823
1        0.975818072      2.304989928     -1.411668019
1        2.400321340      3.287848660     -1.810228215
6        3.265409928      3.678552000      0.836427320
1        3.998488732      4.033469732      0.106246856
1        3.807943124      3.327830536      1.719259124
1        2.656632660      4.538773268      1.130671249

 C N H 0
6-31g(d,p)
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