%chk=Ni_dcyp_PhAlkyl.chk
%mem=16GB
%nprocshared=8
#p opt freq b3lyp/TZVP scrf=(smd,solvent=1,4-dioxane) nosymm pop=full
cphf=conver=7 empiricaldispersion=gd3 int=(acc2e=11,grid=ultrafine)

TEXT

0 1
 P                  6.93564900    2.31758600    5.49887600
 C                  5.10870600    2.41686800    5.05370500
 H                  4.58448000    1.55665200    5.48588000
 C                  6.93184800    2.46953000    7.37779700
 H                  6.61110900    3.50515300    7.53421200
 C                  8.36558900    2.36012000    7.91938900
 H                  8.74322500    1.34560500    7.75165200
 H                  9.02090400    3.02965300    7.35628300
 C                  4.96368000    2.37162700    3.52293400
 H                  5.59007900    3.16278800    3.09492900
 H                  5.34758900    1.42820300    3.12725000
 C                  5.98453500    1.55134500    8.15919300
 H                  4.95805200    1.65603700    7.79964700
 H                  6.26849500    0.50580400    7.99832400
 C                  7.32598600    0.48944400    5.19051700
 H                  6.96835900   -0.13529700    6.01207600
 H                  6.74958700    0.20569400    4.30839700
 C                  4.49846300    3.71491200    5.60816100
 H                  4.53127500    3.72073600    6.69944000
 H                  5.11102000    4.56053000    5.27561700
 C                  6.03867100    1.85394700    9.66367500
 H                  5.65028600    2.86452700    9.83725300
 H                  5.38176700    1.16811100   10.20750100
 C                  3.51383600    2.57025200    3.06965500
 H                  3.46437900    2.56185100    1.97647400
 H                  2.90403000    1.72779300    3.41816900
 C                  8.42195700    2.66665400    9.41875600
 H                  9.44600300    2.55229100    9.78740900
 H                  8.14355700    3.71459000    9.58134700
 C                  3.05228200    3.92221000    5.14509700
 H                  2.41674100    3.14095700    5.57975000
 H                  2.67962600    4.87767500    5.52714500
 C                  7.46785700    1.76417300   10.20760200
 H                  7.48639800    2.02555600   11.26985100
 H                  7.81488500    0.72620700   10.13424700
 C                  2.93326500    3.87446700    3.62045600
 H                  1.88871300    3.98744400    3.31503200
 H                  3.48208600    4.72081800    3.19041100
 P                  9.65300200    1.68903800    4.02393600
 C                 11.46411700    1.48616700    4.50739400
 H                 11.76990200    0.44453400    4.35858200
 C                  9.62460900    1.14209400    2.21948200
 H                 10.18353400    1.93786800    1.71492200
 C                  8.18568500    1.19515900    1.68203000
 H                  7.57791600    0.44338300    2.19755200
 H                  7.74367200    2.16695900    1.91607400
 C                 11.65130200    1.85617700    5.98819500
 H                 11.23080600    2.85592600    6.14862400
 H                 11.08629700    1.17736000    6.63051300
 C                 10.28869000   -0.19753200    1.87920200
 H                 11.32727400   -0.21195800    2.21926500
 H                  9.77391300   -1.00884400    2.40482800
 C                  8.82569800    0.24672800    4.94107700
 H                  8.98054200   -0.69614300    4.41200500
 H                  9.34729700    0.15674200    5.89490900
 C                 12.32572600    2.40250200    3.62498500
 H                 12.24417400    2.11094200    2.57508100
 H                 11.91883200    3.41968200    3.70607300
 C                 10.23717600   -0.47544900    0.36972600
 H                 10.84877300    0.27080600   -0.15121300
 H                 10.68353900   -1.45128300    0.15474300
 C                 13.12510800    1.85104500    6.40819600
 H                 13.21040400    2.15093900    7.45721100
 H                 13.51877700    0.82957300    6.34118100
 C                  8.13734500    0.91975000    0.17603000
 H                  7.10008700    0.92810000   -0.17244700
 H                  8.65282200    1.72976700   -0.35334200
 C                 13.79928400    2.40435700    4.04443600
 H                 14.22548700    1.40869600    3.87213700
 H                 14.36242700    3.09864900    3.41325200
 C                  8.80466100   -0.41517700   -0.16848000
 H                  8.79956000   -0.57672700   -1.25054500
 H                  8.22093200   -1.23215500    0.27322700
 C                 13.96341200    2.77302800    5.52034800
 H                 15.01741100    2.73058200    5.81058000
 H                 13.63611200    3.80898300    5.66990400
 Ni                 8.49821500    3.43218900    4.51386900
 S                  8.67432600    5.58081500    4.27668700
 C                 10.37968400    6.27316600    4.57687300
 H                 10.67697800    5.99543800    5.58945100
 H                 11.00551800    5.70284300    3.88808200
 C                 10.50235600    7.77200500    4.35437300
 H                  9.80424200    8.29425400    5.01453500
 H                 10.20316400    8.01035300    3.32960600
 C                 11.92525600    8.26822600    4.61420300
 H                 12.64474100    7.77650300    3.95333500
 H                 12.00350400    9.34550600    4.44786500
 H                 12.23158300    8.06872600    5.64494500
 C                  7.77246000    6.42688000    5.61049000
 C                  6.67466200    7.22196400    5.29143100
 C                  8.09460400    6.19944700    6.94977800
 C                  5.89229600    7.77254600    6.30438500
 H                  6.42576500    7.40031400    4.25233900
 C                  7.32540000    6.76670000    7.95712100
 H                  8.93213100    5.56027700    7.19999900
 C                  6.21484500    7.54834400    7.63846300
 H                  5.03325700    8.38110800    6.04709000
 H                  7.58136000    6.58419400    8.99435700
 H                  5.60779400    7.97816300    8.42592700





