%mem=63GB
%nprocshared=24
#p scrf=(solvent=n,n-DiMethylFormamide,smd)  b97d/gen pseudo=read opt=(ts,calcfc,noeigen,nomicro) IOP(1/8=4) freq=noraman

opt

0 1
 C                  3.17072600   -1.16101800    0.24478000
 C                  4.22291100   -1.68061500   -0.53542800
 H                  4.03516000   -2.53361600   -1.18767600
 C                  5.50516200   -1.11036100   -0.49328900
 H                  6.30310700   -1.52668500   -1.11090100
 C                  5.75613600   -0.01271400    0.34535000
 H                  6.75136800    0.43381600    0.38835100
 C                  4.72593100    0.52293500    1.13306900
 C                  3.44775200   -0.04860800    1.06936300
 C                  2.80081200    2.33015100    3.22409600
 C                  2.29776300    1.79616800    2.03077000
 C                  1.68820600    2.60380900    1.04029900
 C                  1.69721100    3.99892200    1.26618300
 H                  1.28155900    4.66807100    0.51514900
 C                  2.21942700    4.55057000    2.44594500
 H                  2.20392800    5.63297400    2.58509400
 C                  2.75254100    3.71534700    3.43984900
 H                  3.14715100    4.13554800    4.36656200
 C                  1.55182800   -3.28211000   -0.84778900
 C                  1.68839500   -3.08194300   -2.24112400
 H                  1.77935200   -2.06998100   -2.63573200
 C                  1.71971100   -4.17318400   -3.12163600
 H                  1.83712300   -3.99841600   -4.19334000
 C                  1.58871600   -5.48299500   -2.62712000
 H                  1.60135200   -6.33262700   -3.31286900
 C                  1.43809900   -5.69081600   -1.24640400
 H                  1.33386700   -6.70413000   -0.85244400
 C                  1.42557500   -4.60018000   -0.36023600
 H                  1.30941800   -4.78060800    0.70823400
 C                  1.28225700   -2.43606100    1.94466700
 C                  0.14529900   -2.11446700    2.71080400
 H                 -0.63970700   -1.50011700    2.26768600
 C                  0.02859500   -2.56685300    4.03524500
 H                 -0.85727300   -2.30884600    4.61991800
 C                  1.05159200   -3.34247100    4.60620400
 H                  0.96331500   -3.69302200    5.63675000
 C                  2.19461500   -3.65946600    3.85056700
 H                  2.99602600   -4.25572900    4.29220400
 C                  2.31221600   -3.20390300    2.52799900
 H                  3.20572800   -3.44312100    1.94812700
 C                  2.18429100    1.47016400   -1.61790300
 C                  3.44082200    2.10078900   -1.56420800
 H                  3.66307700    2.80447600   -0.76108600
 C                  4.41704500    1.81146000   -2.53173300
 H                  5.39645200    2.29037700   -2.47045600
 C                  4.13724700    0.90930600   -3.57197500
 H                  4.89847100    0.68649600   -4.32246400
 C                  2.87710100    0.29062300   -3.64112400
 H                  2.65194700   -0.41269900   -4.44566500
 C                  1.90873000    0.56343300   -2.66300000
 H                  0.93604400    0.06658900   -2.69807800
 C                 -0.03459800    3.23521100   -1.22182300
 C                  0.04250000    3.43896800   -2.61773200
 H                  0.70194300    2.82299000   -3.22912800
 C                 -0.73274700    4.43128100   -3.23776000
 H                 -0.66123400    4.57141900   -4.31872800
 C                 -1.58486600    5.24711600   -2.47423500
 H                 -2.18205600    6.02358900   -2.95692300
 C                 -1.66319300    5.05408400   -1.08519200
 H                 -2.32675500    5.67323100   -0.47898400
 C                 -0.90795900    4.04770300   -0.46619700
 H                 -0.99977500    3.89577000    0.60761100
 O                  2.38989000    0.41781600    1.84830800
 P                  1.42929100   -1.77924100    0.21802000
 P                  0.82761600    1.81050800   -0.40880000
 H                  4.90744400    1.38113600    1.77981900
 H                  3.24268900    1.65464200    3.95760000
 Pd                -0.33358000   -0.23922900   -0.15160600
 C                 -2.60828900    1.14851200   -1.75325000
 C                 -2.79302500    0.58358900   -0.29691600
 H                 -2.52840900    2.24372000   -1.67293800
 H                 -1.65651700    0.79668400   -2.17471300
 O                 -3.64094700    0.78616200   -2.66299400
 C                 -2.41649500   -0.72448700    0.10638500
 C                 -1.94274900   -1.83745100   -0.61776100
 H                 -2.62249600   -0.94166500    1.15920600
 C                 -2.79333800    1.64476100    0.79658400
 C                 -3.52262400    2.84437000    0.61719300
 C                 -2.09616200    1.48834800    2.01705600
 C                 -3.56044000    3.83699000    1.60646000
 H                 -4.07777000    2.99528800   -0.30891000
 C                 -2.10805300    2.49055500    2.99892100
 H                 -1.50583200    0.58905700    2.19140900
 C                 -2.84017500    3.67418300    2.80069500
 H                 -4.13877800    4.74681500    1.43206400
 H                 -1.53822300    2.34342000    3.91953600
 H                 -2.84917200    4.45424400    3.56500600
 C                 -1.89806900   -3.16619300    0.11306800
 H                 -2.81453700   -3.73517400   -0.13282000
 H                 -1.04190600   -3.77488700   -0.21230500
 H                 -1.85400700   -3.04307200    1.20369700
 C                 -1.88488700   -2.00913300   -2.12715600
 H                 -2.21986500   -1.12974000   -2.68401200
 H                 -0.86431300   -2.28176600   -2.44232600
 H                 -2.53918800   -2.85396200   -2.40925500
 H                 -4.41729500    0.71781500   -2.02416900
 N                 -4.77098700    0.40988300   -0.38922900
 H                 -5.32654976    0.92956833    0.29286721
 C                 -5.23188500   -0.87867500   -0.18200900
 C                 -5.86905100   -1.29155100    1.02365200
 C                 -5.02715400   -1.86099900   -1.19078500
 C                 -6.30036100   -2.61370400    1.19544200
 H                 -6.02382300   -0.55169900    1.81472400
 C                 -5.44664100   -3.18339700   -1.00494400
 H                 -4.52993100   -1.55578200   -2.11049600
 C                 -6.08780500   -3.57462100    0.18681500
 H                 -6.79735500   -2.90053900    2.12618300
 H                 -5.27533700   -3.91676300   -1.79747000
 H                 -6.41676800   -4.60648200    0.32732700

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

pd 0
SDD






                                            
