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

Ru-H + water

 -1 1
7        0.036577000     -1.531797000     -1.211703000
7        1.117494000     -0.711977000     -1.027509000
7       -1.186649000      1.200586000     -0.738675000
7        0.083905000      1.511741000     -0.326636000
7       -0.650243000     -0.654214000      1.613459000
7        0.644080000     -0.243902000      1.433905000
6        0.314039000     -2.339390000     -2.238620000
6        1.598216000     -2.046179000     -2.735457000
1        2.107797000     -2.533201000     -3.554029000
6        2.079702000     -1.001506000     -1.947807000
6       -1.835341000      2.352162000     -0.944865000
6       -0.976609000      3.433013000     -0.664829000
1       -1.198572000      4.485930000     -0.747238000
6        0.232224000      2.864158000     -0.267936000
6       -0.738485000     -1.185036000      2.836271000
6        0.516831000     -1.120800000      3.469679000
1        0.762764000     -1.459021000      4.465715000
6        1.376186000     -0.523699000      2.548366000
5        1.080483000      0.383745000      0.076418000
1        2.170202000      0.851487000      0.197595000
6       -3.278127000      2.342828000     -1.393650000
1       -3.329470000      1.748448000     -2.317186000
6        1.492343000      3.534115000      0.219976000
1        2.346602000      2.972986000     -0.175482000
6       -0.707766000     -3.343442000     -2.711638000
1       -0.229177000     -3.954607000     -3.486454000
6        3.368685000     -0.226354000     -2.058825000
1        3.732859000     -0.031738000     -1.043548000
6       -2.048967000     -1.747972000      3.328084000
1       -1.892284000     -2.078334000      4.362099000
6        2.859267000     -0.266910000      2.642008000
1        3.064131000      0.700226000      2.169082000
6       -1.157223000     -4.266761000     -1.565736000
1       -0.307330000     -4.799057000     -1.125657000
1       -1.634062000     -3.682454000     -0.769893000
1       -1.879885000     -5.008101000     -1.924455000
6       -1.920191000     -2.628368000     -3.338572000
1       -2.650591000     -3.353144000     -3.715462000
1       -2.417978000     -1.999287000     -2.588803000
1       -1.616542000     -1.981394000     -4.168449000
6        3.121541000      1.135062000     -2.739693000
1        2.353147000      1.710070000     -2.215130000
1        4.042435000      1.728869000     -2.760201000
1        2.785544000      0.990496000     -3.773092000
6        4.445807000     -1.024580000     -2.805361000
1        5.385548000     -0.462823000     -2.826510000
1        4.635184000     -1.989512000     -2.323784000
1        4.149945000     -1.215354000     -3.843100000
6        3.640338000     -1.346329000      1.865476000
1        4.713584000     -1.124491000      1.869463000
1        3.493534000     -2.330130000      2.326210000
1        3.305756000     -1.410198000      0.826231000
6        3.329959000     -0.192759000      4.100573000
1        2.787354000      0.577776000      4.658039000
1        3.183128000     -1.149929000      4.613469000
1        4.398251000      0.044450000      4.141156000
6       -3.152386000     -0.674853000      3.317828000
1       -4.095401000     -1.082146000      3.699267000
1       -2.875725000      0.186856000      3.934490000
1       -3.323847000     -0.315054000      2.296606000
6       -2.472130000     -2.967875000      2.488138000
1       -1.700951000     -3.745334000      2.494858000
1       -3.403456000     -3.401238000      2.869646000
1       -2.637040000     -2.670857000      1.444199000
6        1.566452000      3.484120000      1.759491000
1        0.748492000      4.065728000      2.200359000
1        1.484976000      2.458419000      2.129833000
1        2.514120000      3.904852000      2.114490000
6        1.597547000      4.978996000     -0.286230000
1        0.786155000      5.598683000      0.111732000
1        2.544064000      5.424519000      0.037540000
1        1.554486000      5.024743000     -1.379368000
6       -4.176010000      1.651521000     -0.349207000
1       -5.214008000      1.607837000     -0.697755000
1       -3.837907000      0.626525000     -0.154541000
1       -4.154691000      2.196851000      0.601651000
6       -3.786364000      3.755711000     -1.705068000
1       -3.773055000      4.383344000     -0.806382000
1       -3.171279000      4.244653000     -2.467793000
1       -4.817109000      3.719271000     -2.072541000

B C N H 0
6-31g(d,p)
 ****










