%nprocshared=24
%mem=360GB
#p  B3LYP EmpiricalDispersion=GD3 integral=(grid=ultrafine)  FREQ   SCRFDef=AsymmetricIEFPCM  SCRF=(SMD,SOLVENT=dichloromethane) GEN pseudo=read  scfcyc=100 scf=xqc

Ru-H + water

 0 1
29       2.619787000      0.451271000     -0.469274000
7        3.370185000      2.313751000     -0.992524000
7        3.681705000      2.476722000     -2.310124000
7        5.320027000     -0.669880000     -2.041632000
7        5.357589000      0.617568000     -2.459386000
7        2.361613000     -0.325129000     -2.402891000
7        3.053818000      0.264472000     -3.417700000
6        3.303949000      3.548017000     -0.455837000
6        3.550544000      4.516809000     -1.453683000
1        3.576715000      5.588619000     -1.327261000
6        3.793136000      3.790852000     -2.605257000
1        4.060201000      4.108036000     -3.603128000
6        3.158560000      3.816811000      0.991936000
6        4.099171000      3.283367000      1.903918000
6        4.042037000      3.682819000      3.244163000
1        4.764980000      3.271121000      3.944814000
6        3.091240000      4.597123000      3.707165000
6        2.169588000      5.109338000      2.788864000
1        1.410044000      5.808599000      3.132704000
6        2.178416000      4.729130000      1.443220000
6        5.166081000      2.306319000      1.468169000
1        5.885529000      2.131216000      2.273154000
1        4.729835000      1.345218000      1.182063000
6        3.022819000      4.984907000      5.164156000
1        2.839484000      6.057985000      5.285420000
1        3.947805000      4.733912000      5.691958000
1        2.201565000      4.461132000      5.671017000
6        1.125950000      5.283154000      0.510183000
1        1.484987000      6.162977000     -0.036422000
1        0.234837000      5.588980000      1.066526000
1        0.825195000      4.548618000     -0.239843000
6        6.468478000     -0.892240000     -1.384758000
6        7.268681000      0.278655000     -1.384159000
1        8.247637000      0.414490000     -0.947858000
6        6.519386000      1.211904000     -2.081821000
1        6.724100000      2.244572000     -2.329926000
6        6.730637000     -2.223601000     -0.785635000
6        6.634665000     -3.392608000     -1.580212000
6        6.834954000     -4.642073000     -0.984323000
1        6.755505000     -5.536059000     -1.599727000
6        7.141757000     -4.776811000      0.374607000
6        7.244046000     -3.612425000      1.140530000
1        7.479190000     -3.692860000      2.200129000
6        7.038433000     -2.340238000      0.588067000
6        6.331169000     -3.322555000     -3.060187000
1        6.478321000     -4.298524000     -3.532474000
1        6.978382000     -2.595670000     -3.563273000
1        5.303531000     -2.999054000     -3.244692000
6        7.377140000     -6.139890000      0.979844000
1        6.627152000     -6.862451000      0.639462000
1        7.346944000     -6.105874000      2.073256000
1        8.358176000     -6.537012000      0.689017000
6        7.115162000     -1.128031000      1.489272000
1        6.274107000     -0.450584000      1.317963000
1        8.028036000     -0.547560000      1.315233000
1        7.112091000     -1.426234000      2.542142000
6        1.670284000     -1.340712000     -2.949056000
6        1.914920000     -1.400286000     -4.337085000
1        1.499275000     -2.105240000     -5.041560000
6        2.800523000     -0.367796000     -4.585968000
1        3.276101000     -0.041931000     -5.499960000
6        0.836171000     -2.269784000     -2.152944000
6       -0.567658000     -2.280356000     -2.324204000
6       -1.330093000     -3.203215000     -1.603005000
1       -2.407774000     -3.200671000     -1.723187000
6       -0.741304000     -4.126088000     -0.732076000
6        0.651957000     -4.133920000     -0.620793000
1        1.127053000     -4.864824000      0.029395000
6        1.457149000     -3.227389000     -1.319100000
6       -1.245214000     -1.350799000     -3.302726000
1       -2.326227000     -1.351386000     -3.153187000
1       -1.049278000     -1.661000000     -4.335849000
1       -0.887872000     -0.324771000     -3.204332000
6       -1.600181000     -5.054517000      0.088592000
1       -2.122257000     -4.496064000      0.874661000
1       -1.004935000     -5.835521000      0.570900000
1       -2.370950000     -5.533109000     -0.523798000
6        2.961690000     -3.349023000     -1.246120000
1        3.270395000     -3.919759000     -0.365329000
1        3.463144000     -2.381658000     -1.228733000
1        3.336814000     -3.884102000     -2.127864000
5        4.160653000      1.297029000     -3.184877000
1        4.494110000      1.749800000     -4.253331000
1        5.712250000      2.665008000      0.590025000
7        0.531935000      1.579860000      2.546527000
6        0.478970000      1.528820000      1.240684000
1        0.132246000      2.491424000      0.843726000
6       -0.051104000      2.701057000      3.324941000
1        0.555431000      2.857614000      4.219218000
1        0.019480000      3.599020000      2.713215000
6       -1.507326000      2.408454000      3.685482000
1       -1.606275000      1.499504000      4.285343000
1       -2.109289000      2.290722000      2.780722000
1       -1.915876000      3.242731000      4.264236000
6        1.035901000      0.441959000      3.341139000
1        0.285314000      0.188791000      4.095522000
1        1.127644000     -0.392454000      2.653032000
6        2.386899000      0.727686000      3.989436000
1        2.346399000      1.572959000      4.681291000
1        3.139248000      0.939957000      3.227715000
1        2.699036000     -0.155848000      4.556228000
29       0.020798000     -0.026275000      0.180105000
7       -1.503339000      1.166735000     -1.028326000
7       -2.523030000      1.506288000     -0.174463000
7       -4.112321000     -1.896687000     -0.014719000
7       -3.888507000     -0.639562000     -0.493451000
7       -1.477102000     -1.062707000      1.362223000
7       -2.607307000     -0.332139000      1.633663000
6       -1.133451000      2.293544000     -1.634465000
6       -1.887830000      3.392856000     -1.181485000
6       -2.755134000      2.842644000     -0.247954000
6       -4.791314000     -2.535252000     -0.955403000
6       -5.037558000     -1.715434000     -2.073061000
6       -4.452139000     -0.504068000     -1.721102000
6       -1.254108000     -1.816310000      2.439388000
6       -2.218546000     -1.587610000      3.435730000
6       -3.062178000     -0.640885000      2.872672000
5       -3.377186000      0.429567000      0.525972000
1       -4.303140000      0.978939000      1.031020000
35      -4.039411000      3.752007000      0.767945000
35      -1.779959000      5.179454000     -1.737167000
35       0.255179000      2.325903000     -2.893253000
35      -4.447028000      1.078203000     -2.731002000
35      -5.916284000     -2.149153000     -3.672683000
35      -5.295807000     -4.336163000     -0.722128000
35      -4.572050000      0.127861000      3.669395000
35      -2.320555000     -2.352235000      5.143336000
35       0.194953000     -3.003469000      2.569912000
6        3.473521000     -1.679115000      1.624041000
7        3.160221000     -0.805757000      0.930538000
6        3.853099000     -2.790907000      2.475773000
1        3.627305000     -2.558631000      3.520316000
1        4.923082000     -2.986008000      2.363446000
1        3.304551000     -3.687659000      2.173368000

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

Cu 0
SDD





