%nprocshared=16
%mem=48GB
#p  B3LYP EmpiricalDispersion=GD3 integral=(grid=ultrafine)  freq  SCRF=(SMD,SOLVENT=dichloromethane) GEN pseudo=read  scfcyc=100 scf=xqc

Ru-H + water

 0 1
29      -1.594249000      0.326569000      0.780537000
7       -1.047020000     -0.918163000     -0.916187000
7        0.227016000     -0.848230000     -1.398933000
7       -0.317813000      1.830877000     -0.037304000
7        0.887336000      1.451053000     -0.562915000
7        0.380628000     -0.478472000      1.669711000
7        1.426710000     -0.601879000      0.805937000
6       -1.708700000     -1.757499000     -1.704774000
6       -0.881460000     -2.250757000     -2.729915000
6        0.345590000     -1.642578000     -2.489601000
6       -0.343485000      3.160453000     -0.078654000
6        0.840996000      3.679201000     -0.628861000
6        1.595149000      2.549330000     -0.919837000
6        0.738771000     -1.089617000      2.789365000
6        2.033844000     -1.632929000      2.685659000
6        2.430569000     -1.295638000      1.396211000
5        1.305013000     -0.040134000     -0.632612000
1        2.343316000     -0.136480000     -1.190416000
7       -4.343349000      0.417553000      1.842234000
6       -3.132134000     -0.071785000      1.820762000
1       -3.068414000     -0.925651000      2.509117000
6       -5.434103000     -0.130757000      2.682053000
1       -4.986494000     -0.872496000      3.347171000
1       -5.822074000      0.688242000      3.297896000
6       -6.556160000     -0.755710000      1.856469000
1       -6.173834000     -1.571173000      1.234474000
1       -7.041800000     -0.020172000      1.208712000
1       -7.316113000     -1.163917000      2.530343000
6       -4.696516000      1.591687000      1.004923000
1       -5.637997000      1.998556000      1.381338000
1       -3.913323000      2.334239000      1.161309000
6       -4.803641000      1.253543000     -0.478525000
1       -5.576854000      0.503878000     -0.667618000
1       -3.849596000      0.866570000     -0.846752000
1       -5.052139000      2.159837000     -1.040596000
35       1.931861000     -1.842139000     -3.465879000
35      -1.322562000     -3.451088000     -4.099291000
35      -3.509034000     -2.184248000     -1.385318000
35       3.308596000      2.492262000     -1.673875000
35       1.301612000      5.473720000     -0.906100000
35      -1.812317000      4.149418000      0.543244000
35       4.053537000     -1.698579000      0.549984000
35       3.003046000     -2.584160000      3.977692000
35      -0.424057000     -1.154559000      4.266011000

Cu 0
SDD
F 1 1.00
3.525 1.0
*****
B C N H BR 0
6-31g(d,p)
 ****

Cu 0
SDD





