%mem=73GB
%nprocshared=24
#p scrf=(solvent=n,n-DiMethylFormamide,smd)  b97d/gen pseudo=read opt freq=noraman

opt

0 1
 C                  1.11238500   -2.42259100    0.85654400
 C                  1.60399300   -2.92707700    2.07844800
 H                  2.45811800   -2.44447400    2.55184200
 C                  0.99967400   -4.02320300    2.71312700
 H                  1.39362400   -4.38355200    3.66511400
 C                 -0.11201600   -4.64440000    2.12226900
 H                 -0.60006400   -5.48855800    2.61329400
 C                 -0.59220200   -4.19794900    0.88259100
 C                  0.03207400   -3.11062900    0.25280200
 C                 -2.06908100   -3.90916400   -2.15681700
 C                 -1.66682100   -2.78882400   -1.41906200
 C                 -2.55174900   -1.72075300   -1.14092500
 C                 -3.87606000   -1.82984000   -1.61655200
 H                 -4.58304200   -1.02384300   -1.41712800
 C                 -4.29471600   -2.95235100   -2.34879400
 H                 -5.32518900   -3.01165400   -2.70383300
 C                 -3.39101600   -3.99140900   -2.62342100
 H                 -3.70895600   -4.86439000   -3.19616400
 C                  2.83519000   -0.08745200    1.28908300
 C                  2.41850900    0.09711300    2.62755000
 H                  1.49509100   -0.36050700    2.97872900
 C                  3.17685100    0.88008300    3.51126900
 H                  2.84011100    1.00413300    4.54289600
 C                  4.35376100    1.50896600    3.07049400
 H                  4.93870600    2.12509600    3.75633100
 C                  4.77167000    1.33943700    1.73951800
 H                  5.68550400    1.82166000    1.38545200
 C                  4.02211100    0.54571700    0.85642700
 H                  4.35996600    0.42284300   -0.17382600
 C                  2.89988800   -1.54659800   -1.21670200
 C                  2.71066200   -1.22308000   -2.57444600
 H                  1.87880700   -0.57229800   -2.85363400
 C                  3.58049200   -1.73474700   -3.55318300
 H                  3.42491300   -1.48116500   -4.60417800
 C                  4.64655200   -2.56878400   -3.17812600
 H                  5.32505100   -2.96454900   -3.93684400
 C                  4.83914000   -2.89696000   -1.82308500
 H                  5.66610900   -3.54716200   -1.52929000
 C                  3.96709400   -2.39238500   -0.84681400
 H                  4.11569800   -2.65111400    0.20356200
 C                 -2.00172800   -0.72682800    1.52278400
 C                 -2.90467100   -1.69299000    2.00973500
 H                 -3.58720700   -2.19612300    1.32239900
 C                 -2.92043800   -2.01597700    3.37633400
 H                 -3.61450000   -2.77373800    3.74621400
 C                 -2.04589300   -1.36724600    4.26558100
 H                 -2.05843000   -1.62208000    5.32735900
 C                 -1.15236100   -0.39413900    3.78541200
 H                 -0.46664700    0.10922800    4.47042700
 C                 -1.12686800   -0.08033400    2.41782100
 H                 -0.41969500    0.65515400    2.03102000
 C                 -3.30273600    0.98442000   -0.41383200
 C                 -4.11994000    1.37441400    0.66676500
 H                 -3.99613300    0.90573000    1.64374600
 C                 -5.09743200    2.37013300    0.49303800
 H                 -5.71896800    2.66826800    1.34027800
 C                 -5.27965500    2.97283400   -0.76180900
 H                 -6.03986400    3.74545500   -0.89405500
 C                 -4.47604600    2.57924100   -1.84794700
 H                 -4.61161300    3.04285300   -2.82753800
 C                 -3.48749800    1.60081800   -1.67265800
 H                 -2.84946700    1.31531200   -2.51120900
 O                 -0.33132400   -2.69981000   -1.02384700
 P                  1.72195300   -0.87014100    0.04253600
 P                 -1.91449500   -0.22704300   -0.25054900
 H                 -1.43719600   -4.69110800    0.40179800
 H                 -1.34700400   -4.70247400   -2.35437100
 Pd                 0.15806700    0.56881800   -0.90094900
 C                  2.48482600    4.38468600   -1.70241300
 C                  1.86205100    3.17546200   -0.99836300
 H                  3.02179500    5.07407300   -1.00046500
 H                  2.71796900    2.69446700   -0.48661100
 O                  2.44530900    4.62635100   -2.89885900
 C                  1.23730600    2.16677100   -1.96212700
 C                 -0.12896900    2.17999500   -2.33103400
 H                  1.95924400    1.73890400   -2.66482400
 H                 -0.42276700    1.74790800   -3.29498200
 H                 -0.82024400    2.92623800   -1.93180800
 C                  0.90760000    3.65851100    0.08985100
 C                 -0.05597600    4.65213200   -0.17400400
 C                  0.93845700    3.06031300    1.36418700
 C                 -0.99071700    5.01940500    0.80976400
 H                 -0.08456200    5.12892500   -1.15618100
 C                  0.01007300    3.42718500    2.35008600
 H                  1.68790500    2.29920900    1.57330800
 C                 -0.96432600    4.40301300    2.07249800
 H                 -1.73668900    5.78608900    0.58891200
 C                  0.06167742    2.75388374    3.73413889
 C                 -0.78518692    3.05418888    4.70917266
 H                  0.85674943    2.00485602    3.84815552
 H                 -0.74837286    2.57403081    5.69623007
 C                 -1.90005162    4.10448212    4.54929512
 C                 -2.11121880    4.75848172    3.41538764
 H                 -2.50602127    4.26793393    5.45055319
 H                 -2.91507332    5.45593281    3.30457294

C O P H 0
6-31g(d)
****
pd 0
SDD
****

pd 0
SDD





