%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       1.463303000      0.308616000      0.573649000
7       -0.450853000      1.064243000     -2.365557000
6       -0.290471000      0.287152000     -1.329265000
1        0.206368000     -0.637891000     -1.646796000
6        0.044991000      0.662771000     -3.711037000
1       -0.159389000     -0.402012000     -3.825607000
1       -0.541424000      1.192992000     -4.463035000
6        1.538906000      0.932762000     -3.865941000
1        2.104735000      0.362208000     -3.123932000
1        1.776709000      1.991733000     -3.741313000
1        1.867165000      0.618866000     -4.861667000
6       -1.196769000      2.341889000     -2.275922000
1       -2.193182000      2.155377000     -2.691655000
1       -1.307068000      2.554766000     -1.214153000
6       -0.541369000      3.514477000     -2.997746000
1       -0.515773000      3.376270000     -4.081829000
1        0.476768000      3.690938000     -2.648080000
1       -1.128721000      4.414369000     -2.791165000
29      -0.933530000      0.408124000      0.509874000
7       -2.604866000     -1.565304000     -0.772081000
7       -3.354705000     -0.713812000     -1.529771000
7       -5.192599000      0.079836000      1.531147000
7       -5.057564000     -0.545894000      0.330643000
7       -2.863986000      1.546744000      0.603959000
7       -3.832193000      1.534371000     -0.365342000
6       -1.948174000     -2.336064000     -1.628664000
6       -2.249867000     -2.010573000     -2.966207000
6       -3.146739000     -0.956775000     -2.849111000
6       -5.789911000     -0.788413000      2.333289000
6       -6.072165000     -2.002344000      1.677928000
6       -5.593304000     -1.790480000      0.389876000
6       -2.880838000      2.765018000      1.136938000
6       -3.829263000      3.590131000      0.507107000
6       -4.416365000      2.757478000     -0.435213000
5       -4.422421000      0.197786000     -0.884362000
1       -5.250315000      0.440216000     -1.706144000
35      -3.927272000      0.042557000     -4.228499000
35      -1.588250000     -2.800528000     -4.533606000
35      -0.731162000     -3.637429000     -1.031382000
35      -5.683312000     -2.956345000     -1.077722000
35      -6.882042000     -3.547722000      2.367245000
35      -6.128958000     -0.343413000      4.134067000
35      -5.772844000      3.211417000     -1.645126000
35      -4.207036000      5.392745000      0.850796000
35      -1.802090000      3.243798000      2.603416000
1       -1.496250000     -2.785905000      1.712626000
1       -1.729355000     -3.220185000      3.422123000
6       -2.162096000     -2.685205000      2.570664000
1       -3.115149000     -3.160228000      2.318111000
6       -2.413577000     -1.216007000      2.885261000
1       -3.125104000     -1.109081000      3.708453000
1       -2.827602000     -0.705127000      2.019118000
7       -1.183345000     -0.485117000      3.275071000
6       -0.502113000      0.201066000      2.404067000
1        0.332035000      0.714993000      2.887573000
1       -1.702931000     -0.092681000      5.254185000
6       -0.872576000     -0.577469000      4.728311000
1        0.489747000      1.107262000      4.994121000
1        0.584921000     -0.156713000      6.223969000
6        0.455760000      0.025029000      5.152793000
1        1.299094000     -0.435752000      4.628283000
1       -0.907018000     -1.641461000      4.983144000
7        2.565826000      1.715849000     -0.393682000
7        3.643234000      1.337994000     -1.145736000
7        4.721021000      1.122517000      1.434151000
7        5.150448000      0.217013000      0.512134000
7        2.726476000     -1.305544000      0.489093000
7        3.460265000     -1.202253000     -0.671802000
6        2.341062000      2.999451000     -0.651281000
6        3.258040000      3.490412000     -1.597421000
6        4.070771000      2.398058000     -1.875487000
6        5.416635000      0.884113000      2.534529000
6        6.318407000     -0.186504000      2.367373000
6        6.103921000     -0.581746000      1.053343000
6        2.406030000     -2.590004000      0.629647000
6        2.896552000     -3.354721000     -0.442790000
6        3.552838000     -2.426645000     -1.246218000
5        4.409314000      0.029966000     -0.842810000
1        5.173910000     -0.203614000     -1.720613000
35       5.512158000      2.326089000     -3.065866000
35       3.342424000      5.209558000     -2.334390000
35       0.997933000      3.943404000      0.253318000
35       5.129991000      1.919420000      4.084472000
35       7.524384000     -0.909347000      3.608124000
35       6.921994000     -1.980025000      0.108769000
35       1.463904000     -3.173841000      2.141177000
35       2.722678000     -5.198365000     -0.720851000
35       4.402071000     -2.732807000     -2.883669000

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

Cu 0
SDD





