%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       0.109030000     -0.294191000     -0.432193000
7       -0.237396000      0.409509000     -2.403553000
7       -0.240992000     -0.471884000     -3.438454000
7        1.543772000     -1.593717000     -1.266561000
7        1.240593000     -2.244840000     -2.424771000
7       -1.420622000     -1.987430000     -1.062114000
7       -1.272966000     -2.478657000     -2.314900000
6       -0.515935000      1.619852000     -2.910009000
6       -0.695571000      1.522182000     -4.307039000
1       -0.929418000      2.319769000     -4.997097000
6       -0.516538000      0.175881000     -4.594234000
1       -0.569881000     -0.363575000     -5.529503000
6       -0.629529000      2.784552000     -1.997944000
6        0.379551000      3.768088000     -1.966102000
6        0.269968000      4.824356000     -1.054283000
1        1.054413000      5.577580000     -1.022912000
6       -0.809124000      4.923372000     -0.169189000
6       -1.805599000      3.942346000     -0.226738000
1       -2.658703000      4.011124000      0.444692000
6       -1.736378000      2.872271000     -1.125964000
6        1.581632000      3.671330000     -2.876614000
1        2.092150000      2.709446000     -2.755148000
1        1.296167000      3.745502000     -3.931778000
6       -0.871037000      6.030866000      0.854593000
1       -1.902235000      6.250374000      1.148885000
1       -0.417098000      6.953358000      0.478152000
1       -0.325974000      5.749025000      1.765054000
6       -2.838352000      1.837936000     -1.159533000
1       -3.621906000      2.074103000     -0.434180000
1       -2.451629000      0.840421000     -0.934889000
1       -3.297861000      1.782008000     -2.153494000
6        2.768501000     -2.000388000     -0.898277000
6        3.262738000     -2.941303000     -1.826487000
1        4.219316000     -3.442592000     -1.805614000
6        2.259906000     -3.061047000     -2.776917000
1        2.201129000     -3.658571000     -3.675725000
6        3.440561000     -1.414287000      0.286498000
6        3.574688000     -2.156679000      1.475613000
6        4.217044000     -1.568033000      2.573119000
1        4.308246000     -2.135572000      3.496758000
6        4.746620000     -0.275304000      2.509621000
6        4.608479000      0.440696000      1.313596000
1        5.008238000      1.450369000      1.249616000
6        3.952758000     -0.100541000      0.204076000
6        3.041114000     -3.566980000      1.573084000
1        3.046243000     -3.919374000      2.608561000
1        3.648230000     -4.261587000      0.980295000
1        2.018246000     -3.636966000      1.191146000
6        5.458919000      0.338329000      3.691232000
1        5.266087000     -0.220607000      4.611832000
1        5.145235000      1.376144000      3.849501000
1        6.544854000      0.352383000      3.533335000
6        3.768666000      0.719876000     -1.051293000
1        2.705424000      0.906878000     -1.234929000
1        4.153271000      0.195297000     -1.933358000
1        4.279310000      1.683475000     -0.973303000
6       -2.549205000     -2.509241000     -0.563943000
6       -3.148482000     -3.362063000     -1.522018000
1       -4.059933000     -3.933238000     -1.420011000
6       -2.299860000     -3.310476000     -2.619222000
1       -2.350886000     -3.801261000     -3.581268000
6       -2.969594000     -2.124403000      0.806124000
6       -4.142784000     -1.365247000      0.999400000
6       -4.460023000     -0.915392000      2.288142000
1       -5.359211000     -0.319858000      2.431056000
6       -3.649557000     -1.204453000      3.390522000
6       -2.497482000     -1.971204000      3.179044000
1       -1.855036000     -2.207346000      4.025075000
6       -2.139501000     -2.432257000      1.908314000
6       -5.046432000     -1.010621000     -0.159546000
1       -4.475995000     -0.628982000     -1.011751000
1       -5.777495000     -0.251286000      0.132891000
1       -5.600836000     -1.885970000     -0.517564000
6       -3.978919000     -0.676382000      4.766160000
1       -3.335933000      0.175479000      5.022942000
1       -3.820733000     -1.439526000      5.535929000
1       -5.016970000     -0.336514000      4.829967000
6       -0.851179000     -3.202199000      1.733402000
1       -0.482059000     -3.572016000      2.694696000
1       -0.081743000     -2.556437000      1.296298000
1       -0.972235000     -4.053453000      1.055916000
5       -0.087150000     -1.993982000     -3.179758000
1       -0.076250000     -2.583175000     -4.228119000
1        2.300927000      4.467295000     -2.664091000
7       -0.089543000      1.059878000      2.199352000
6       -0.593148000      0.416030000      1.175747000
1       -1.673703000      0.295192000      1.325280000
6       -0.896606000      1.511448000      3.354654000
1       -1.897196000      1.094667000      3.224819000
1       -0.462552000      1.067970000      4.258421000
6       -0.961502000      3.031752000      3.485731000
1       -1.358226000      3.480124000      2.570414000
1        0.021842000      3.465666000      3.688744000
1       -1.622301000      3.295119000      4.318206000
6        1.357931000      1.369633000      2.240070000
1        1.631219000      1.581539000      3.277390000
1        1.885349000      0.469384000      1.921854000
6        1.715951000      2.537416000      1.325411000
1        1.208080000      3.457230000      1.625277000
1        1.422094000      2.304368000      0.299128000
1        2.795724000      2.709797000      1.349201000

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

Cu 0
SDD





