%nprocshared=32
%mem=96GB
#p  B3LYP EmpiricalDispersion=GD3 integral=(grid=ultrafine) opt=calcfc  freq  SCRFDef=AsymmetricIEFPCM  SCRF=(SMD,SOLVENT=dichloromethane) GEN pseudo=read  scfcyc=100 scf=xqc

Ru-H + water

 0 1
29      -1.609913000     -0.149503000     -0.122367000
7       -0.247112000     -1.509882000     -1.012365000
7        1.074503000     -1.208664000     -0.828123000
7       -0.423880000      1.453929000     -0.824838000
7        0.920925000      1.313575000     -0.616883000
7       -0.442961000     -0.197172000      1.661345000
7        0.909135000     -0.137852000      1.463059000
6       -0.302909000     -2.598475000     -1.786219000
6        1.003873000     -3.016075000     -2.110702000
1        1.296511000     -3.863039000     -2.715782000
6        1.852530000     -2.109708000     -1.484949000
6       -0.617481000      2.654030000     -1.380953000
6        0.621207000      3.307492000     -1.540129000
1        0.803008000      4.287019000     -1.960202000
6        1.575329000      2.426647000     -1.042357000
6       -0.645877000     -0.340854000      2.974852000
6        0.594121000     -0.373979000      3.645220000
1        0.769774000     -0.477434000      4.707043000
6        1.559198000     -0.243875000      2.652496000
5        1.480859000      0.018594000      0.029280000
1        2.673123000      0.087044000      0.082893000
6       -4.671709000     -0.341113000     -0.155169000
7       -3.513884000     -0.266776000     -0.155603000
6       -6.121871000     -0.435617000     -0.146487000
1       -6.427695000     -1.384862000      0.304015000
1       -6.503791000     -0.384626000     -1.170539000
1       -6.543352000      0.390100000      0.434936000
6       -1.997174000      3.126144000     -1.719024000
1       -2.690665000      2.279423000     -1.732518000
6        3.060279000      2.592499000     -0.956481000
1        3.588365000      1.837736000     -1.549527000
6       -1.620184000     -3.184358000     -2.188861000
1       -1.804060000     -3.055128000     -3.262554000
6        3.348635000     -2.064775000     -1.479234000
1        3.752183000     -2.145603000     -0.464121000
6       -2.033146000     -0.455060000      3.525649000
1       -2.244136000     -1.474947000      3.870129000
6        3.050152000     -0.213075000      2.782348000
1        3.469574000      0.732438000      2.421447000
6       -1.674893000     -4.694654000     -1.892868000
1       -0.723662000     -5.183065000     -2.133122000
1       -1.886422000     -4.886490000     -0.834774000
1       -2.457122000     -5.188378000     -2.480629000
6       -2.761396000     -2.492029000     -1.420801000
1       -3.728681000     -2.657636000     -1.908696000
1       -2.839716000     -2.871052000     -0.395465000
1       -2.602867000     -1.409242000     -1.361221000
6        3.881867000     -0.751497000     -2.081366000
1        4.061381000     -0.000075000     -1.304032000
1        4.827877000     -0.910676000     -2.611306000
1        3.170832000     -0.322914000     -2.796805000
6        3.905698000     -3.234908000     -2.311141000
1        4.987035000     -3.345029000     -2.170815000
1        3.437679000     -4.184464000     -2.027576000
1        3.725392000     -3.084789000     -3.381684000
6        3.715128000     -1.346392000      1.979228000
1        4.786316000     -1.416531000      2.200008000
1        3.265594000     -2.318142000      2.213167000
1        3.610367000     -1.185442000      0.900234000
6        3.445235000     -0.378647000      4.261569000
1        2.565243000     -0.356943000      4.914449000
1        3.959938000     -1.330921000      4.432924000
1        4.117625000      0.423223000      4.587152000
6       -2.237434000      0.487635000      4.726145000
1       -3.301894000      0.633036000      4.942695000
1       -1.767963000      0.087577000      5.632047000
1       -1.801241000      1.475063000      4.536854000
6       -3.062443000     -0.096654000      2.437673000
1       -2.670182000     -0.300088000      1.434750000
1       -3.985223000     -0.676156000      2.554979000
1       -3.332008000      0.964878000      2.477593000
6        3.562968000      2.469617000      0.493968000
1        2.735676000      2.534561000      1.209844000
1        4.069545000      1.512222000      0.660946000
1        4.274429000      3.266551000      0.738566000
6        3.457801000      3.982713000     -1.486464000
1        3.399486000      4.741900000     -0.698211000
1        4.483974000      3.984602000     -1.871267000
1        2.798940000      4.302267000     -2.301876000
6       -2.512652000      4.144020000     -0.684707000
1       -3.605429000      4.222583000     -0.712532000
1       -2.228230000      3.856661000      0.333937000
1       -2.104984000      5.144025000     -0.871541000
6       -2.028775000      3.812803000     -3.097103000
1       -1.017034000      4.031036000     -3.457467000
1       -2.516957000      3.180089000     -3.847076000
1       -2.576898000      4.761031000     -3.057962000

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

Cu 0
SDD





