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

Ru-H + water

 0 1
29       0.063318000      0.055215000      1.894542000
7       -1.642166000     -0.327489000      0.639959000
7       -1.505906000     -0.107749000     -0.680016000
7        0.526555000      1.622224000      0.484643000
7        0.592344000      1.286062000     -0.815900000
7        1.145220000     -1.242547000      0.513258000
7        0.752873000     -1.231985000     -0.772056000
6       -2.944581000     -0.296076000      0.917944000
6       -3.686119000     -0.034360000     -0.249645000
6       -2.725422000      0.079360000     -1.251776000
6        1.221946000      2.747345000      0.642196000
6        1.774252000      3.155220000     -0.586752000
6        1.344661000      2.191897000     -1.496301000
6        1.795660000     -2.385468000      0.723412000
6        1.819969000     -3.156262000     -0.454471000
6        1.141164000     -2.379537000     -1.390478000
5       -0.081641000     -0.030669000     -1.307441000
1       -0.141974000     -0.056002000     -2.483893000
35      -5.554515000      0.121143000     -0.397334000
35       2.851532000      4.664519000     -0.900599000
35       2.600204000     -4.852051000     -0.685108000
6        0.420091000      0.106330000      4.929484000
7        0.274535000      0.086035000      3.781172000
6        0.604538000      0.131499000      6.369743000
1        1.586376000     -0.280185000      6.623314000
1       -0.174178000     -0.468109000      6.851117000
1        0.541554000      1.162892000      6.729216000
6        1.365544000      3.302004000      2.027190000
9        2.302750000      2.618193000      2.728791000
9        1.727783000      4.595099000      2.022358000
9        0.208584000      3.198401000      2.716872000
6        1.597583000      2.040562000     -2.967478000
9        2.189491000      0.854253000     -3.234591000
9        0.449587000      2.081621000     -3.676362000
9        2.399755000      3.009892000     -3.434079000
6       -3.360665000     -0.443923000      2.350071000
9       -2.648992000     -1.413251000      2.966816000
9       -3.137938000      0.702439000      3.039683000
9       -4.662851000     -0.745293000      2.474423000
6       -2.857672000      0.372813000     -2.717655000
9       -2.387987000     -0.641866000     -3.473626000
9       -4.136202000      0.583013000     -3.066806000
9       -2.154066000      1.478485000     -3.051972000
6        0.807512000     -2.636011000     -2.830513000
9        1.233957000     -3.844247000     -3.229810000
9       -0.529035000     -2.586014000     -3.030679000
9        1.366675000     -1.714905000     -3.643443000
6        2.285127000     -2.670367000      2.110806000
9        3.210876000     -3.642867000      2.135173000
9        2.828023000     -1.567348000      2.671248000
9        1.265338000     -3.057259000      2.916012000

Cu 0
DEF2QZVP
 ****
B C N H BR F 0
DEF2TZVP
 ****










