%nprocshared=24
%mem=96000MB
#p wb97xd/genecp opt(ts,calcfc,noeigentest) iop(1/8=3) freq=noraman scrf=(solvent=toluene,smd) nosymm scf(conver=7,xqc,maxcycle=100)

Title Card Required

0 1
 Ru                -1.45200500    0.16299900   -0.29636700
 P                 -0.92302000    2.47653700   -0.42329600
 C                 -2.23674500    3.58912200    0.19351700
 H                 -1.89774900    4.63136200    0.18600600
 H                 -3.12548300    3.50144400   -0.43887300
 H                 -2.50681100    3.31032500    1.21727800
 C                  0.51890200    2.98702100    0.58702200
 H                  1.39127500    2.37303200    0.34419100
 H                  0.76464800    4.04106300    0.41477900
 H                  0.28421000    2.84457500    1.64683000
 C                 -0.55736300    3.16345300   -2.07857400
 H                 -1.42849200    3.01231000   -2.72317400
 H                 -0.33767200    4.23549200   -2.01291000
 H                  0.29812400    2.65007200   -2.52654600
 C                 -3.17880900    0.55772200   -0.07459200
 O                 -4.29905700    0.79442900    0.12883000
 P                 -2.06203300   -2.13552300   -0.22868500
 C                 -3.21782300   -2.59420800   -1.57135200
 H                 -4.11678400   -1.97155700   -1.52469600
 H                 -2.73522100   -2.42088800   -2.53738400
 H                 -3.50833900   -3.64844900   -1.49651900
 C                 -2.91865700   -2.71991100    1.27791200
 H                 -3.15109700   -3.78857000    1.20670600
 H                 -2.29208000   -2.54199600    2.15681400
 H                 -3.85254600   -2.16438500    1.41289000
 C                 -0.72084100   -3.36928300   -0.43608500
 H                 -0.05936300   -3.37093800    0.43591000
 H                 -1.14267800   -4.37474900   -0.55072200
 H                 -0.12632100   -3.13088400   -1.32368200
 C                 -1.11604400    0.29008000    1.71706200
 C                 -1.91901900    0.40898200    2.79383300
 H                 -0.03899900    0.26894700    1.94562800
 C                 -1.50231100    0.48799100    4.21027700
 H                 -3.00188700    0.42610100    2.65306900
 C                 -2.47346400    0.34905300    5.21563100
 C                 -0.17404500    0.69941400    4.61978700
 C                 -2.13695900    0.40303200    6.56656600
 H                 -3.51175100    0.19305500    4.92878100
 C                  0.16561900    0.75184200    5.96828300
 H                  0.60663800    0.83415200    3.87526300
 C                 -0.81258200    0.60213000    6.95290200
 H                 -2.91314200    0.29078300    7.31958300
 H                  1.20175700    0.91905400    6.25271200
 H                 -0.54661900    0.64821600    8.00547100
 C                  1.43928200   -0.81384100   -0.01956100
 H                  1.25983900   -1.41523100    0.84601400
 C                  1.72019400   -0.15778200   -0.99898000
 C                  2.11465900    0.63006000   -2.13138000
 C                  3.03356200    1.67677800   -1.96229400
 C                  1.58773600    0.36319100   -3.40213300
 C                  3.41056900    2.45318200   -3.05329900
 H                  3.44929900    1.87361000   -0.97842900
 C                  1.97203100    1.14418200   -4.48723000
 H                  0.85207000   -0.42464600   -3.51293800
 C                  2.87872800    2.19038900   -4.31588000
 H                  4.12228700    3.26248500   -2.91825400
 H                  1.55519800    0.94001500   -5.46930800
 H                  3.17223500    2.80002300   -5.16590300
 O                 -1.30847800   -0.10919500   -2.44431900
 C                 -2.14456300    0.40006700   -3.28001300
 O                 -3.13302200    1.08392700   -2.98533900
 C                 -1.81686700    0.13845400   -4.74423400
 H                 -1.29483300   -0.81341100   -4.88046100
 H                 -2.72704300    0.15456300   -5.34959600
 H                 -1.16011800    0.94109000   -5.10306800

Ru
sdd
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-C -H -O -P -Cl
6-31+g*
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Ru
sdd





