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

Ru-H + water

 -1 1
35      -4.240477000     -3.500157000     -0.125293000
35       5.158265000     -1.914360000     -0.215606000
35      -0.971953000      5.401366000     -0.183039000
9       -0.206105000     -2.623967000     -2.228250000
9       -1.778113000     -1.441558000     -3.152926000
9       -2.201260000     -3.459839000     -2.461713000
9       -3.242194000     -0.182102000      3.165926000
9       -4.951061000     -0.922170000      2.035050000
9       -3.636693000     -2.321864000      3.046559000
9        3.914613000     -1.930275000      2.979147000
9        3.316596000     -3.788328000      2.030490000
9        1.862754000     -2.636949000      3.173834000
9        4.046168000     -0.230631000     -2.564623000
9        2.339193000      1.093920000     -2.309668000
9        2.066162000     -0.871872000     -3.195902000
9        1.763015000      4.821691000      1.825571000
9       -0.034236000      4.380487000      2.958844000
9        1.648282000      2.996639000      3.009902000
9       -2.056267000      3.544265000     -2.419970000
9       -0.517680000      2.204250000     -3.173526000
9       -2.251825000      1.395198000     -2.143867000
7        1.272231000     -0.721528000     -0.288939000
7        1.283322000     -1.328009000      0.908018000
7       -1.251660000     -0.747120000     -0.259813000
7       -1.789453000     -0.416377000      0.924277000
7       -0.009977000      1.452353000     -0.288403000
7        0.609196000      1.789047000      0.853527000
6       -1.913298000     -1.797130000     -0.825245000
6       -2.935376000     -2.153752000      0.043203000
6       -2.806053000     -1.252508000      1.118595000
6       -1.527247000     -2.333972000     -2.165877000
6       -3.653953000     -1.164142000      2.344663000
6        2.521515000     -1.781178000      1.085376000
6        3.341630000     -1.462138000     -0.015426000
6        2.500450000     -0.775756000     -0.879754000
6        2.896757000     -2.532690000      2.320320000
6        2.742116000     -0.196716000     -2.236456000
6        0.379362000      3.087470000      1.033213000
6       -0.409677000      3.613020000     -0.009088000
6       -0.642231000      2.527020000     -0.841282000
6        0.941523000      3.814601000      2.210075000
6       -1.369128000      2.421652000     -2.143279000
5       -0.002437000     -0.009486000     -0.803924000
1       -0.018141000     -0.015610000     -1.991357000

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










