!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      -0.190591000     -1.126371000     -0.270652000
P       -0.151423000      1.099625000      0.333565000
N       -0.753408000     -3.266794000     -0.241130000
O        1.057572000     -0.889529000     -2.984055000
C       -2.875086000     -1.583608000      3.766710000
N       -1.360857000     -1.251833000      1.517012000
C       -1.633038000      1.144354000      1.448382000
H       -1.599644000      1.960301000      2.172221000
C       -1.882030000     -0.168587000      2.116369000
C       -2.643125000     -0.312250000      3.266511000
H       -3.055085000      0.562808000      3.750361000
C       -2.351057000     -2.688017000      3.115085000
H       -2.528828000     -3.691554000      3.477770000
C       -1.586026000     -2.491032000      1.977232000
C       -0.912072000     -3.571517000      1.184146000
H       -1.422061000     -4.522614000      1.365412000
H        0.092399000     -3.690976000      1.616015000
C        1.259432000      1.635309000      1.474609000
C        2.604265000      1.369212000      0.800627000
H        2.690526000      0.344807000      0.436389000
H        3.396730000      1.525754000      1.535646000
H        2.796963000      2.036462000     -0.037449000
C        1.166928000      0.757949000      2.726660000
H        0.290639000      0.991736000      3.331793000
H        2.045249000      0.939168000      3.349250000
H        1.148936000     -0.308184000      2.496992000
C        1.199128000      3.092812000      1.917814000
H        1.400622000      3.784070000      1.101530000
H        1.964870000      3.263494000      2.678390000
H        0.239661000      3.355742000      2.364302000
C       -0.526311000      2.446548000     -0.931395000
C       -1.508842000      1.873599000     -1.953320000
H       -1.082477000      1.048172000     -2.519352000
H       -1.775915000      2.663340000     -2.658831000
H       -2.431858000      1.520037000     -1.492280000
C       -1.168857000      3.693117000     -0.323162000
H       -2.125393000      3.473872000      0.150892000
H       -1.369676000      4.406845000     -1.125238000
H       -0.538229000      4.197193000      0.402904000
C        0.761521000      2.822686000     -1.660729000
H        1.442207000      3.396075000     -1.033124000
H        0.517257000      3.444551000     -2.524377000
H        1.295186000      1.945728000     -2.031157000
H        0.434964000     -3.819507000     -0.650903000
C       -1.867173000     -3.778102000     -1.087682000
C       -1.851034000     -5.310668000     -1.093887000
H       -0.900311000     -5.682186000     -1.478027000
H       -2.645743000     -5.696496000     -1.733638000
H       -2.006898000     -5.737908000     -0.102785000
C       -1.626897000     -3.316120000     -2.518928000
H       -1.759411000     -2.240010000     -2.620807000
H       -2.325720000     -3.807684000     -3.196964000
H       -0.614935000     -3.565118000     -2.841588000
C       -3.233777000     -3.291809000     -0.614390000
H       -3.486496000     -3.685375000      0.372280000
H       -4.018021000     -3.618973000     -1.299317000
H       -3.265373000     -2.201904000     -0.565883000
C        0.612876000     -0.981811000     -1.914390000
H       -3.473857000     -1.712179000      4.659348000
H       -1.578654000     -0.731847000     -0.955468000
H        1.344078000     -2.052974000      0.370064000
H        1.435306000     -1.319505000      0.694276000
H       -2.484591000      1.351946000      0.792460000
O        1.476658000     -4.183453000     -1.002297000
C        2.110823000     -4.954862000     -0.030012000
H        2.250916000     -4.408897000      0.921389000
H        3.128033000     -5.209404000     -0.371303000
C        1.381618000     -6.250166000      0.266427000
H        0.388559000     -6.045846000      0.673128000
H        1.235841000     -6.809159000     -0.667647000
O        2.050635000     -7.034059000      1.243284000
H        2.931809000     -7.221698000      0.900027000
O        3.547751000     -2.516395000     -1.160001000
H        2.677285000     -2.980343000     -1.266663000
H        3.572928000     -1.685602000     -1.671719000
O        8.026870000     -1.053533000     -0.414859000
H        7.371155000     -0.408894000     -0.089877000
O        4.520468000     -0.132289000     -2.222569000
H        5.314371000     -0.543710000     -2.606338000
H        4.852825000      0.238755000     -1.387682000
O        5.887084000     -3.866992000     -1.691298000
H        4.992492000     -3.481433000     -1.572761000
H        6.328274000     -3.216424000     -2.265047000
O        4.592775000     -1.780972000      1.298779000
H        5.348136000     -2.394816000      1.329431000
H        4.106579000     -2.067205000      0.495850000
O        5.771926000      0.434121000      0.299410000
H        5.299523000     -0.299748000      0.769918000
H        5.681275000      1.212761000      0.857330000
O        6.955755000     -1.528388000     -2.857581000
H        7.563511000     -1.371263000     -3.586516000
H        7.456498000     -1.320662000     -2.030355000
H        7.816929000     -1.864103000      0.083113000
H        6.555938000     -3.674912000     -0.131758000
O        6.882897000     -3.364031000      0.752499000
H        7.270857000     -4.131029000      1.184188000
 *
