%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       0.134456000     -5.449560000     -0.135790000
35       4.678756000      2.835097000     -0.125180000
35      -4.808994000      2.592813000     -0.138520000
7        1.374956000      0.487550000     -0.344792000
7        1.956885000     -0.098553000      0.735616000
7       -0.271871000     -1.417033000     -0.352724000
7       -1.075184000     -1.634861000      0.723772000
7       -1.099699000      0.959096000     -0.355089000
7       -0.896317000      1.755370000      0.729402000
6        0.249877000     -2.584305000     -0.796414000
6       -0.228155000     -3.613200000      0.004395000
6       -1.051262000     -2.942667000      0.931868000
6        3.082107000      0.567834000      0.944789000
6        3.261728000      1.611442000      0.014281000
6        2.133644000      1.516348000     -0.789879000
6       -2.046209000      2.378636000      0.938082000
6       -3.032415000      2.002217000      0.003066000
6       -2.370752000      1.085784000     -0.803581000
5        0.003695000      0.011357000     -0.878251000
1        0.009279000      0.011851000     -2.075529000
35      -2.230052000      3.619277000      2.350470000
35      -3.040784000      0.114954000     -2.264380000
35      -2.053784000     -3.716952000      2.332883000
35       1.438804000     -2.685679000     -2.245247000
35       4.244347000      0.079344000      2.351209000
35       1.638951000      2.594646000     -2.244479000

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










