!PAL8

%MaxCore 4000



! RKS wB97M-V def2-TZVPP def2-tzvpp/c def2/j tightscf rijcosx GRID6
! CPCM
%cpcm
smd true
SMDsolvent "THF"
end

 *xyz 0 1
Ru       0.252127000     -0.946474000     -0.126399000
P       -0.329118000      1.231818000      0.042760000
N        0.276569000     -3.197626000      0.361029000
O        1.507466000     -0.787841000     -2.835363000
C       -2.542452000     -1.400812000      3.846860000
N       -0.975133000     -1.105847000      1.616789000
C       -1.879170000      1.058455000      1.045279000
H       -2.150442000      1.970070000      1.580616000
C       -1.820554000     -0.116438000      1.963698000
C       -2.608509000     -0.237607000      3.098185000
H       -3.273184000      0.568996000      3.375741000
C       -1.702454000     -2.426591000      3.447077000
H       -1.648087000     -3.356093000      3.997487000
C       -0.920893000     -2.248032000      2.318089000
C        0.051993000     -3.270716000      1.821995000
H       -0.265068000     -4.263905000      2.145606000
H        1.018552000     -3.092281000      2.299621000
C        0.736723000      2.351340000      1.143638000
C        2.185919000      2.279801000      0.671171000
H        2.566499000      1.267418000      0.781832000
H        2.801116000      2.939750000      1.288321000
H        2.316185000      2.582597000     -0.366194000
C        0.672255000      1.772584000      2.559347000
H       -0.296844000      1.934012000      3.032362000
H        1.421160000      2.269985000      3.179549000
H        0.890978000      0.705736000      2.582895000
C        0.284673000      3.804194000      1.222019000
H        0.428430000      4.342197000      0.286977000
H        0.884558000      4.315034000      1.979557000
H       -0.759413000      3.901056000      1.521649000
C       -0.906416000      2.186485000     -1.480419000
C       -1.622393000      1.211760000     -2.415952000
H       -0.961127000      0.437396000     -2.796059000
H       -2.008718000      1.773396000     -3.269415000
H       -2.470031000      0.720961000     -1.936082000
C       -1.895130000      3.308869000     -1.162095000
H       -2.795065000      2.936262000     -0.672390000
H       -2.213114000      3.766035000     -2.101744000
H       -1.477197000      4.099912000     -0.548526000
C        0.312066000      2.747912000     -2.209720000
H        0.784891000      3.563563000     -1.664737000
H        0.001860000      3.143249000     -3.179348000
H        1.066364000      1.981803000     -2.395938000
H        1.253606000     -3.452850000      0.222481000
C       -0.522482000     -4.186060000     -0.448624000
C       -0.097986000     -5.609690000     -0.095047000
H        0.967323000     -5.756783000     -0.279583000
H       -0.643179000     -6.324769000     -0.710358000
H       -0.300417000     -5.863035000      0.945041000
C       -0.199693000     -3.929121000     -1.911449000
H       -0.588487000     -2.966986000     -2.239887000
H       -0.639352000     -4.707895000     -2.534237000
H        0.879436000     -3.936019000     -2.081412000
C       -2.003831000     -3.990208000     -0.181993000
H       -2.271043000     -4.240880000      0.845921000
H       -2.586581000     -4.640226000     -0.833971000
H       -2.302712000     -2.959569000     -0.377027000
C        1.086343000     -0.832902000     -1.750440000
H       -3.156669000     -1.513175000      4.730825000
H       -1.118390000     -1.075713000     -0.941452000
H       -2.677097000      0.877483000      0.317906000
O        4.709137000     -2.622479000     -1.775304000
H        4.136984000     -3.014366000     -1.086561000
H        5.563459000     -2.533428000     -1.308442000
O        4.555661000     -0.607299000      2.487592000
H        5.162159000     -0.064340000      1.953890000
O        6.938764000     -2.175961000     -0.076239000
H        6.588035000     -2.591654000      0.730485000
H        6.856755000     -1.223299000      0.099898000
H        3.963789000     -3.579267000      1.112956000
O        3.951644000     -0.097953000     -0.880621000
H        3.245738000     -0.316517000     -0.246137000
H        4.148352000     -0.949651000     -1.329624000
O        6.156157000      0.522608000      0.477601000
H        5.355289000      0.410453000     -0.098376000
H        6.524893000      1.386576000      0.272649000
O        5.499987000     -3.125307000      2.199461000
H        5.831329000     -3.514920000      3.013934000
H        5.184978000     -2.216699000      2.434362000
H        3.738932000     -0.667162000      1.943758000
O        3.238171000     -3.385358000      0.497258000
H        2.883133000     -2.507673000      0.812814000
O        2.133446000     -1.060543000      1.170904000
H        1.806916000     -0.973798000      2.072374000
 *
