%nprocshared=24
%mem=96GB
#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      -1.319669000     -0.030073000      0.043087000
7       -0.057916000      0.911636000      1.464747000
7        1.282681000      0.767735000      1.233584000
7       -0.060422000     -1.728008000      0.092574000
7        1.278604000     -1.457890000      0.018480000
7       -0.116359000      0.784714000     -1.516992000
7        1.231961000      0.708494000     -1.299679000
6       -0.193815000      1.590989000      2.607992000
6        1.079066000      1.897539000      3.130638000
1        1.308671000      2.439338000      4.037744000
6        1.992457000      1.358895000      2.231268000
6       -0.197867000     -3.057599000      0.109469000
6        1.072162000     -3.665716000      0.046868000
1        1.299933000     -4.722646000      0.044775000
6        1.985593000     -2.618696000     -0.011492000
6       -0.296688000      1.438245000     -2.669163000
6        0.954576000      1.792818000     -3.213867000
1        1.148566000      2.324130000     -4.135333000
6        1.902265000      1.314138000     -2.315785000
5        1.778340000      0.010539000     -0.026339000
1        2.973488000      0.020936000     -0.050105000
6       -4.387349000      0.000085000      0.014592000
7       -3.227489000     -0.018226000      0.036350000
6       -5.839952000      0.027587000     -0.019537000
1       -6.189072000      1.063819000     -0.062948000
1       -6.241943000     -0.449392000      0.879373000
1       -6.199918000     -0.509903000     -0.902168000
6       -1.555746000     -3.684926000      0.167463000
1       -1.863729000     -4.065373000     -0.814435000
1       -1.572930000     -4.528058000      0.865893000
1       -2.296674000     -2.946601000      0.489876000
6        3.479190000     -2.671663000     -0.090997000
1        3.949348000     -2.199114000      0.778425000
1        3.808546000     -3.713109000     -0.131692000
1        3.854888000     -2.159471000     -0.983147000
6       -1.551426000      1.906870000      3.153615000
1       -2.320207000      1.643094000      2.420486000
1       -1.752424000      1.346857000      4.075196000
1       -1.646877000      2.972023000      3.391806000
6        3.488412000      1.384479000      2.274220000
1        3.821870000      1.921619000      3.165951000
1        3.910464000      0.374289000      2.306660000
1        3.910076000      1.886034000      1.396450000
6       -1.675090000      1.705600000     -3.188264000
1       -1.761982000      1.431907000     -4.245386000
1       -2.408406000      1.128965000     -2.616292000
1       -1.936054000      2.767591000     -3.102101000
6        3.395146000      1.402595000     -2.380878000
1        3.807898000      1.928526000     -1.513119000
1        3.859509000      0.410878000     -2.412861000
1        3.692630000      1.946460000     -3.281177000

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

Cu 0
SDD





