%nprocshared=16
%mem=48GB
#p  B3LYP EmpiricalDispersion=GD3 integral=(grid=ultrafine)freq pop=cm5  SCRF=(SMD,SOLVENT=dichloromethane) GEN pseudo=read  scfcyc=100 scf=xqc

Ru-H + water

 0 1
29       0.065837000     -0.030247000     -2.126755000
7       -1.015294000     -1.414726000     -1.002788000
7       -0.851316000     -1.185678000      0.336198000
7        1.790695000     -0.245472000     -0.983683000
7        1.496007000     -0.183508000      0.351514000
7       -0.629977000      1.595249000     -1.015292000
7       -0.549834000      1.335644000      0.325564000
6       -1.838344000     -2.450933000     -1.120121000
6       -2.236958000     -2.924833000      0.142096000
6       -1.583010000     -2.085752000      1.037815000
6        3.108034000     -0.385506000     -1.082938000
6        3.710013000     -0.417142000      0.187023000
6        2.642811000     -0.283841000      1.068189000
6       -1.188196000      2.793749000     -1.144016000
6       -1.490701000      3.348126000      0.111952000
6       -1.065830000      2.381124000      1.016745000
5        0.031565000     -0.010285000      0.846736000
1        0.022439000     -0.004543000      2.027888000
35      -1.658932000     -2.133321000      2.907829000
35      -3.386089000     -4.351998000      0.531819000
35      -2.331561000     -3.105685000     -2.808547000
35       2.710840000     -0.240065000      2.937981000
35       5.527955000     -0.598343000      0.598804000
35       3.947781000     -0.514848000     -2.756016000
35      -1.162399000      2.446346000      2.885191000
35      -2.284819000      5.002572000      0.484910000
35      -1.480445000      3.545989000     -2.838163000

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

Cu 0
SDD





