%nprocshared=36
%mem=108GB
#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      -0.836002000      0.092659000      0.396372000
7        0.047336000     -0.967914000     -1.213890000
7        1.394401000     -0.830794000     -1.405571000
7        0.449397000      1.724475000      0.049265000
7        1.731785000      1.451201000     -0.344745000
7        0.931600000     -0.731078000      1.628317000
7        2.143370000     -0.650283000      1.002473000
6       -0.397657000     -1.830162000     -2.136852000
6        0.676215000     -2.255003000     -2.944445000
1        0.643718000     -2.946600000     -3.774939000
6        1.799359000     -1.603543000     -2.447883000
6        0.325385000      3.057343000      0.085680000
6        1.541464000      3.658500000     -0.290952000
1        1.761332000      4.714925000     -0.357685000
6        2.412907000      2.607722000     -0.554910000
6        1.139868000     -1.323851000      2.807071000
6        2.509134000     -1.636161000      2.953044000
1        2.994260000     -2.115632000      3.792293000
6        3.116512000     -1.192732000      1.784186000
5        2.244592000     -0.009166000     -0.403647000
1        3.385130000     -0.011808000     -0.761840000
7       -3.766567000      0.163941000      0.633001000
6       -2.589178000     -0.286398000      1.005056000
1       -2.736833000     -1.111508000      1.718364000
6       -5.049625000     -0.400892000      1.109799000
1       -4.815741000     -1.094930000      1.920304000
1       -5.645290000      0.418645000      1.527735000
6       -5.826387000     -1.112824000      0.003578000
1       -5.230811000     -1.923687000     -0.428220000
1       -6.111803000     -0.425476000     -0.798439000
1       -6.743437000     -1.541795000      0.420437000
6       -3.873324000      1.299766000     -0.316707000
1       -4.894694000      1.684448000     -0.260167000
1       -3.196639000      2.076872000      0.041176000
6       -3.517268000      0.924469000     -1.752642000
1       -4.166746000      0.132797000     -2.136424000
1       -2.479691000      0.584777000     -1.807563000
1       -3.627037000      1.804831000     -2.395011000
6        0.002528000     -1.577189000      3.748284000
1       -0.244699000     -2.644428000      3.803150000
1        0.245324000     -1.247344000      4.764281000
1       -0.888503000     -1.038595000      3.413185000
6        4.557081000     -1.255921000      1.381910000
1        4.975101000     -0.257813000      1.210898000
1        5.139782000     -1.737559000      2.171583000
1        4.696109000     -1.828883000      0.458486000
6       -0.963235000      3.710979000      0.475290000
1       -1.501667000      3.090507000      1.197912000
1       -0.780212000      4.691626000      0.924645000
1       -1.616959000      3.861900000     -0.392551000
6        3.846971000      2.656951000     -0.980496000
1        4.157651000      3.697758000     -1.103087000
1        4.505457000      2.189581000     -0.240321000
1        4.006097000      2.138451000     -1.931851000
6       -1.841279000     -2.219220000     -2.208903000
1       -1.945983000     -3.299307000     -2.358076000
1       -2.352506000     -1.941099000     -1.283404000
1       -2.353695000     -1.721556000     -3.040881000
6        3.221413000     -1.689976000     -2.906859000
1        3.615541000     -0.708869000     -3.192303000
1        3.876051000     -2.089059000     -2.124318000
1        3.287926000     -2.350426000     -3.775363000

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

Cu 0
SDD





