%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       1.400869000      0.340485000      0.584055000
7       -0.441997000      1.168284000     -2.387196000
6       -0.330634000      0.377292000     -1.354246000
1        0.137790000     -0.562700000     -1.669845000
6        0.066187000      0.765776000     -3.727581000
1       -0.167610000     -0.291275000     -3.858854000
1       -0.490445000      1.321019000     -4.484125000
6        1.570161000      0.992724000     -3.852824000
1        2.105869000      0.400285000     -3.105718000
1        1.836909000      2.043419000     -3.715328000
1        1.907514000      0.677158000     -4.844983000
6       -1.152369000      2.466559000     -2.301356000
1       -2.141646000      2.311708000     -2.746000000
1       -1.286744000      2.671594000     -1.240805000
6       -0.446129000      3.629015000     -2.991408000
1       -0.393450000      3.500499000     -4.075706000
1        0.566256000      3.775425000     -2.612648000
1       -1.015110000      4.542236000     -2.792378000
29      -0.945777000      0.580532000      0.490231000
7       -2.575235000     -1.721763000     -0.690854000
7       -3.238920000     -0.833400000     -1.486422000
7       -5.073980000     -0.062657000      1.521828000
7       -5.013583000     -0.638135000      0.291616000
7       -2.875612000      1.557744000      0.556193000
7       -3.825567000      1.460788000     -0.429379000
6       -1.871831000     -2.490533000     -1.509182000
6       -2.054491000     -2.128040000     -2.859529000
6       -2.935195000     -1.057120000     -2.790488000
6       -5.694722000     -0.933795000      2.303707000
6       -6.065585000     -2.098726000      1.604061000
6       -5.612157000     -1.854071000      0.313158000
6       -2.996235000      2.776173000      1.078031000
6       -3.994175000      3.519429000      0.424423000
6       -4.499088000      2.636659000     -0.519182000
5       -4.347395000      0.081817000     -0.916509000
1       -5.148049000      0.268154000     -1.778987000
35      -3.594415000     -0.014974000     -4.201419000
35      -1.280855000     -2.899069000     -4.384684000
35      -0.767161000     -3.861737000     -0.850928000
35      -5.776197000     -2.945145000     -1.203713000
35      -6.949246000     -3.623435000      2.246703000
35      -5.963466000     -0.549392000      4.130018000
35      -5.866787000      2.980496000     -1.752233000
35      -4.514263000      5.290453000      0.743996000
35      -1.992534000      3.353294000      2.560952000
1       -1.345750000     -2.471161000      1.753687000
1       -1.398449000     -2.936350000      3.469936000
6       -1.929247000     -2.406129000      2.672608000
1       -2.885672000     -2.910025000      2.502111000
6       -2.193432000     -0.951762000      3.038399000
1       -2.813620000     -0.881047000      3.936110000
1       -2.720054000     -0.441252000      2.234131000
7       -0.950326000     -0.187960000      3.306027000
6       -0.351176000      0.479929000      2.361117000
1        0.485209000      1.053038000      2.771873000
1       -1.286602000      0.333698000      5.299322000
6       -0.526577000     -0.216642000      4.732518000
1        0.936308000      1.405948000      4.799086000
1        1.086094000      0.187912000      6.068246000
6        0.862483000      0.334417000      5.007298000
1        1.626262000     -0.190564000      4.424329000
1       -0.586378000     -1.263885000      5.045763000
7        2.502862000      1.796122000     -0.353176000
7        3.595568000      1.464196000     -1.103838000
7        4.633356000      1.078288000      1.474454000
7        5.093764000      0.250241000      0.495371000
7        2.682951000     -1.237153000      0.414718000
7        3.394607000     -1.093358000     -0.756190000
6        2.275521000      3.090113000     -0.550493000
6        3.207345000      3.634051000     -1.452337000
6        4.031245000      2.561327000     -1.770645000
6        5.290885000      0.749173000      2.574293000
6        6.198022000     -0.306865000      2.350732000
6        6.028707000     -0.592659000      1.002351000
6        2.432181000     -2.535523000      0.558378000
6        2.936619000     -3.272656000     -0.528143000
6        3.532951000     -2.311345000     -1.338116000
5        4.354043000      0.140177000     -0.870859000
1        5.117387000     -0.056251000     -1.758705000
35       5.498606000      2.557311000     -2.931419000
35       3.295450000      5.390357000     -2.096082000
35       0.903963000      3.984219000      0.362337000
35       4.950091000      1.654395000      4.193219000
35       7.358601000     -1.134276000      3.569234000
35       6.883657000     -1.909770000     -0.022685000
35       1.585960000     -3.167929000      2.104268000
35       2.854529000     -5.121832000     -0.807165000
35       4.362991000     -2.567433000     -2.993637000

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

Cu 0
SDD





