%nprocshared=16
%mem=64GB
#p  B3LYP EmpiricalDispersion=GD3  integral=(grid=ultrafine) opt=(calcfc,cartesian) freq  SCRF=(SMD,SOLVENT=dichloromethane) GEN  scfcyc=100 scf=xqc

Ru-H + water

 0 1
7        0.007962000      0.723628000      0.135877000
6       -0.308228000      1.802522000     -0.528918000
1        0.646372000      2.253945000     -0.875441000
6        1.383002000      0.213415000      0.386495000
1        2.072348000      0.988900000      0.044698000
1        1.508107000      0.098551000      1.469401000
6        1.668495000     -1.108772000     -0.322337000
1        1.520521000     -1.009998000     -1.402622000
1        1.026158000     -1.914486000      0.045045000
1        2.708350000     -1.400870000     -0.142165000
6       -1.088853000     -0.111136000      0.704205000
1       -0.659237000     -0.785866000      1.449580000
1       -1.776167000      0.565809000      1.217026000
6       -1.828434000     -0.895489000     -0.375977000
1       -1.166405000     -1.602533000     -0.884623000
1       -2.234996000     -0.204945000     -1.121518000
1       -2.656689000     -1.457141000      0.068669000

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






