%mem=63GB
%nprocshared=24
#p scrf=(solvent=n,n-DiMethylFormamide,smd)  b97d/gen pseudo=read opt freq=noraman

op

0 1
 C                  2.80116300    1.06873200   -0.09390100
 C                  3.73496400    1.28687900   -1.12323900
 H                  4.04791600    0.44998300   -1.74919300
 C                  4.25732200    2.57109700   -1.34579900
 H                  4.97654800    2.73172800   -2.15054900
 C                  3.85518500    3.64276600   -0.53124300
 H                  4.26313800    4.64140900   -0.69762500
 C                  2.92037700    3.44534300    0.49685200
 C                  2.39793100    2.16198900    0.69652400
 C                  0.58137500    3.70462000    2.94984800
 C                  0.44895900    2.78265200    1.90320200
 C                 -0.69962800    2.74614900    1.07596400
 C                 -1.67639700    3.74384200    1.29733600
 H                 -2.55654200    3.78540400    0.65890200
 C                 -1.54448900    4.68702500    2.32712400
 H                 -2.32147200    5.44028400    2.46672900
 C                 -0.42357200    4.65724600    3.17033100
 H                 -0.31889200    5.37992800    3.98126000
 C                  2.71931200   -1.70631100   -0.95533700
 C                  1.91858000   -1.88325500   -2.10451100
 H                  0.97471800   -1.35127500   -2.20767600
 C                  2.29877900   -2.78384100   -3.10887100
 H                  1.64404900   -2.90339100   -3.97376000
 C                  3.48287800   -3.52829500   -2.96904900
 H                  3.77900300   -4.24153100   -3.74142200
 C                  4.28146300   -3.36232100   -1.82408000
 H                  5.19799800   -3.94427700   -1.70588000
 C                  3.90547700   -2.45424300   -0.81973100
 H                  4.52671100   -2.35172200    0.06873800
 C                  2.88143900   -0.92478700    1.91939700
 C                  2.06755800   -1.23889800    3.02366200
 H                  0.98691200   -1.26053200    2.89328800
 C                  2.64185800   -1.49000900    4.27988000
 H                  2.00197800   -1.73338300    5.13064700
 C                  4.03568000   -1.41621800    4.43986700
 H                  4.48563200   -1.61090300    5.41554100
 C                  4.85140000   -1.07087800    3.34729300
 H                  5.93294600   -0.99147000    3.47437700
 C                  4.27778800   -0.81338200    2.09271700
 H                  4.91130600   -0.51524800    1.25598500
 C                  0.00885500    2.10201000   -1.69077400
 C                  0.49154800    3.42452400   -1.73424700
 H                  0.34006400    4.09324600   -0.88716400
 C                  1.18572200    3.88154000   -2.86582200
 H                  1.56959300    4.90346300   -2.88447600
 C                  1.39153500    3.02834400   -3.96264600
 H                  1.93625800    3.38637500   -4.83897200
 C                  0.88925300    1.71647600   -3.92871800
 H                  1.02567000    1.04811200   -4.78132200
 C                  0.20203800    1.24956200   -2.79828200
 H                 -0.21911300    0.24503800   -2.80824000
 C                 -2.69470300    1.64202100   -0.72664000
 C                 -3.07333300    1.76391800   -2.07781500
 H                 -2.31749600    1.82764400   -2.85787700
 C                 -4.43172800    1.77919800   -2.43243100
 H                 -4.70945100    1.86748600   -3.48486600
 C                 -5.42581700    1.67679200   -1.44607000
 H                 -6.48100400    1.68327500   -1.72685900
 C                 -5.05471800    1.57276800   -0.09459300
 H                 -5.81615400    1.50046100    0.68466500
 C                 -3.69934800    1.55445300    0.26173500
 H                 -3.42529200    1.48291700    1.31162500
 O                  1.48810900    1.87459500    1.71459900
 P                  2.05616100   -0.55531400    0.31754900
 P                 -0.92267900    1.44744000   -0.24186300
 H                  2.58929400    4.27322700    1.12377200
 H                  1.48187400    3.67393000    3.56405800
 Pd                -0.26684500   -0.75233300    0.26770300
 C                 -2.92335700   -1.55511000   -1.38395300
 C                 -2.22952100   -1.84386400   -0.04194400
 H                 -3.76649511   -0.86566759   -1.19658095
 H                 -2.21074967   -1.06279496   -2.05905727
 O                 -3.39680605   -2.72210083   -2.04052397
 C                 -1.10530800   -2.73050700   -0.11650600
 C                 -0.24066600   -3.11930800    0.92643700
 H                 -0.79079400   -3.02230800   -1.12062500
 C                 -3.16668900   -1.78738800    1.13157900
 C                 -4.28863700   -2.64669800    1.12834900
 C                 -3.02075700   -0.88497700    2.20456300
 C                 -5.22978900   -2.60665900    2.17027200
 H                 -4.41861000   -3.35296900    0.30577400
 C                 -3.95710700   -0.84343000    3.24841600
 H                 -2.15912600   -0.21454900    2.21479800
 C                 -5.06877900   -1.70328000    3.23412600
 H                 -6.08688400   -3.28360700    2.14927200
 H                 -3.82069400   -0.13429800    4.06805800
 H                 -5.80139500   -1.67037700    4.04340300
 C                  0.95394900   -3.97295000    0.57475300
 H                  1.84262700   -3.65648400    1.14266100
 H                  0.73960200   -5.01685000    0.87386300
 H                  1.18209600   -3.95098300   -0.49836500
 C                 -0.61556600   -3.16950000    2.39541300
 H                  0.26777300   -3.40501700    3.00540200
 H                 -1.06474800   -2.24391000    2.76679000
 H                 -1.35336400   -3.97926800    2.54210300
 C                 -4.79563309   -3.13838807   -1.83885203
 O                 -5.51386541   -2.39946074   -1.13126689
 O                 -5.02834088   -4.20949217   -2.44332420

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

pd 0
SDD





