%nprocshared=12
%mem=22GB
%chk=Pd_reag.chk
#p opt=noeigentest freq b3lyp genecp empiricaldispersion=GD3BJ

Pd Reagent

1 1
 C                  1.30307200   -1.08753500    0.15450900
 C                  0.97532200   -3.21084900    0.93823700
 C                  0.03378700   -2.98044800   -0.05773700
 N                  0.26299500   -1.66815900   -0.53760100
 N                  1.74096100   -2.02455900    1.06632800
 C                 -0.52691300   -0.92705900   -1.54435900
 H                  0.07417700   -0.03122600   -1.87762500
 H                 -0.67204700   -1.55510900   -2.44785600
 C                 -1.83401700   -0.46662300   -0.93153900
 C                 -3.02394300   -1.15261700   -1.18294700
 C                 -1.79948500    0.65248600   -0.10135800
 C                 -4.20762500   -0.69611200   -0.59343200
 H                 -3.02743600   -2.02316400   -1.82929200
 C                 -2.99396100    1.12659900    0.47252900
 H                 -0.86724200    1.17932600    0.10854500
 C                 -4.22038500    0.46698200    0.23414000
 O                 -5.30811000    0.93888400    0.92290400
 O                 -5.41712400   -1.30109500   -0.71548700
 O                 -2.77265000    2.23367700    1.25426000
 C                 -5.57670200   -2.46586400   -1.56739400
 H                 -4.96858300   -3.29097300   -1.19643100
 H                 -6.64241400   -2.68353200   -1.42656700
 H                 -5.35143400   -2.20494000   -2.60836800
 C                 -6.61006100    0.84621400    0.28181100
 H                 -6.91391000   -0.21175600    0.21776200
 H                 -7.23172700    1.39989700    0.99340800
 H                 -6.59285500    1.31778300   -0.69712600
 C                 -3.89052800    2.80234200    2.00134200
 H                 -3.38606100    3.55793400    2.60969500
 H                 -4.59854400    3.25192800    1.29644300
 H                 -4.38045400    2.04955800    2.61583700
 C                  2.88198800   -1.81861000    1.98479700
 H                  2.87115900   -0.74795800    2.31916800
 H                  2.72960600   -2.44119500    2.89572300
 C                  4.22122900   -2.15883500    1.31999500
 H                  5.00506300   -2.20915600    2.10893100
 H                  4.19644700   -3.17567800    0.87893400
 C                  4.62846600   -1.13431400    0.25253200
 H                  3.91627700   -1.16639700   -0.60290900
 H                  4.55454400   -0.09981400    0.66444300
 C                  6.04422500   -1.39168900   -0.25119900
 H                  6.15331000   -2.39682200   -0.67974900
 H                  6.32447400   -0.67808200   -1.03721400
 H                  6.79018300   -1.29925700    0.54788000
 Pd                 1.93583400    0.81282600    0.09562100
 C                  3.28984100    2.40181000   -0.97078100
 O                  3.25431100    1.13545900   -1.31612400
 O                  2.56849500    2.71288500    0.03674200
 C                  4.11966100    3.35908000   -1.72552700
 H                  4.03655500    3.21818200   -2.81750200
 H                  3.84594900    4.40958400   -1.50554100
 H                  5.19294300    3.25877700   -1.47843300
 H                  1.13609700   -4.09583100    1.53875600
 H                 -0.75332100   -3.62124500   -0.43065500

C H O N
6-31G(d)
****
Pd
lanl2dz
****

Pd
lanl2dz





















