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

Ru-H + water

 -1 1
7        1.861885095     -0.950906000     -0.667206263
7        1.471783453     -0.083037000      0.314843642
7       -0.099738095      2.102151810     -0.628174190
7       -0.652537547      1.312373453      0.333230000
7       -1.732519927     -1.142894905     -0.656079716
7       -0.801528000     -1.225265547      0.338435358
6        3.171902095     -0.744527453     -0.841165168
6        3.635868000      0.269954095      0.026558832
1        4.642410453      0.662471642      0.116052927
6        2.518345905      0.669822547      0.745274737
6       -0.944016000      3.127996358     -0.791264737
6       -2.060126905      2.998630095      0.063181453
1       -2.911168810      3.662379190      0.161768453
6       -1.840082905      1.824844642      0.770590547
6       -2.219104832     -2.380563905     -0.815837810
6       -1.591014905     -3.280507547      0.080758168
1       -1.762564263     -4.342541095      0.195404431
6       -0.694107168     -2.502252642      0.800044978
5        0.011529905      0.000981453      0.816566000
1        0.020889810      0.001076905      2.036554000
6       -0.644959000      4.211730716     -1.785451379
1       -1.425335095      4.289985168     -2.552781284
1       -0.572408358      5.195053263     -1.301998022
1        0.306773905      4.013796526     -2.288424474
6       -2.689214358      1.142811832      1.792791737
1       -2.130840810      0.939901474      2.713959737
1       -3.549699358      1.766290379      2.048699642
1       -3.054718905      0.180125284      1.420832379
6        3.941182737     -1.539138000     -1.854190526
1        3.276669832     -2.252661000     -2.358905073
1        4.392093832     -0.897001000     -2.615059526
1        4.757359190     -2.107361453     -1.386001431
6        2.370321263      1.739026095      1.783229642
1        3.347197716      2.171768095      2.021299284
1        1.713114358      2.539861095      1.422921000
1        1.933563073      1.351963642      2.708421095
6       -3.285305211     -2.657231810     -1.828542978
1       -4.190624474     -3.069952000     -1.366794694
1       -3.561333496     -1.736408716     -2.355639599
1       -2.949678948     -3.388275073     -2.578656263
6        0.277547853     -2.891736832      1.872529862
1        1.313991116     -2.710563116      1.549144198
1        0.122469065     -2.321177190      2.795695862
1        0.175019211     -3.959018737      2.105608052

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