%mem=83GB
%nprocshared=24
#p scrf=(solvent=n,n-DiMethylFormamide,smd)  b97d/gen pseudo=read opt freq=noraman

opt

0 1
 C                 -2.97206600   -1.52588800    0.12910500
 C                 -3.48447500   -2.74582200   -0.35721700
 H                 -3.51510900   -2.92302200   -1.43230700
 C                 -3.93640800   -3.74363800    0.52081700
 H                 -4.32052800   -4.68403200    0.12131500
 C                 -3.89303900   -3.52660100    1.90736600
 H                 -4.23996100   -4.29742800    2.59821300
 C                 -3.40902000   -2.31253600    2.41734000
 C                 -2.95675700   -1.32779600    1.52711200
 C                 -2.49715600    0.33109300    4.32047100
 C                 -1.80290500   -0.03657900    3.15998800
 C                 -0.41670400   -0.31919600    3.17022700
 C                  0.23287100   -0.28251400    4.42525300
 H                  1.29539200   -0.51565400    4.48473100
 C                 -0.45404000    0.06158800    5.59928500
 H                  0.08069900    0.07907300    6.55063500
 C                 -1.81883000    0.38650400    5.54696200
 H                 -2.35812100    0.66755100    6.45330600
 C                 -2.33460300   -0.90702100   -2.62368400
 C                 -1.54929500   -2.04466900   -2.92302200
 H                 -0.98894500   -2.53892800   -2.12717700
 C                 -1.47334200   -2.53343700   -4.23369400
 H                 -0.86685700   -3.41652400   -4.44730500
 C                 -2.16243900   -1.87937700   -5.27201700
 H                 -2.09336700   -2.25150100   -6.29629000
 C                 -2.93636800   -0.74370400   -4.98432600
 H                 -3.47388400   -0.22971800   -5.78432100
 C                 -3.02777500   -0.26085100   -3.66663700
 H                 -3.63115400    0.62320600   -3.45758600
 C                 -3.43960500    1.14810400   -0.84603200
 C                 -2.98237500    2.43988100   -0.52009000
 H                 -1.91909300    2.59620200   -0.33148800
 C                 -3.88719100    3.50960200   -0.42500300
 H                 -3.52186100    4.50602300   -0.16652500
 C                 -5.25604300    3.29233400   -0.65661000
 H                 -5.96232100    4.12213100   -0.58316200
 C                 -5.71948400    2.00282300   -0.97722700
 H                 -6.78379500    1.83157000   -1.15282500
 C                 -4.81584500    0.93232800   -1.06756300
 H                 -5.17626100   -0.06938400   -1.31075500
 C                  0.34698500   -2.43532100    1.29336400
 C                 -0.14135300   -3.33536700    2.25973200
 H                 -0.41947600   -2.97294300    3.25016700
 C                 -0.28647000   -4.69715000    1.94574400
 H                 -0.68168200   -5.38521800    2.69610800
 C                  0.07277700   -5.17261800    0.67340800
 H                 -0.04265500   -6.23155100    0.43263000
 C                  0.57775800   -4.28143000   -0.29015200
 H                  0.86056900   -4.64275800   -1.28097100
 C                  0.70421000   -2.91794800    0.01458500
 H                  1.07242400   -2.21822800   -0.73861000
 C                  2.26080700   -0.41307700    2.13288000
 C                  3.22835800   -1.42560100    1.98121100
 H                  2.94679300   -2.39541800    1.57021700
 C                  4.56348200   -1.19341100    2.35501500
 H                  5.30122800   -1.98723900    2.22846000
 C                  4.94428200    0.04432900    2.89645800
 H                  5.98061700    0.21965000    3.19263100
 C                  3.98195800    1.05777400    3.05523400
 H                  4.26754700    2.02616600    3.47116600
 C                  2.65494700    0.83690400    2.66450500
 H                  1.92053800    1.63571400    2.77938600
 O                 -2.51843100   -0.08160300    1.96538700
 P                 -2.19978000   -0.21518800   -0.92186400
 P                  0.50674900   -0.61804200    1.57767100
 H                 -3.37625900   -2.13169300    3.49164400
 H                 -3.56266100    0.55342900    4.24941300
 Pd                -0.04019500    0.43868400   -0.44083500
 C                  3.60246600    2.42154900    0.08184300
 C                  2.28570400    2.61012200   -0.56073500
 H                  3.88591000    3.05559600    0.93058800
 H                  4.06913000    1.43072600    0.06559000
 O                  3.52409700    3.10158200   -1.18926900
 C                  1.70031600    1.44507700   -1.29858400
 C                  0.64286100    1.48891000   -2.25924400
 H                  2.45603400    0.66863300   -1.45925900
 C                  1.40722500    3.71059600   -0.01579900
 C                  1.54399000    5.03641700   -0.46642100
 C                  0.42681000    3.41838700    0.95470000
 C                  0.69184700    6.04523500    0.01382900
 H                  2.31250900    5.26911500   -1.20411200
 C                 -0.42468600    4.42471100    1.43598300
 H                  0.32105800    2.39591300    1.31946500
 C                 -0.30196000    5.74243000    0.96008000
 H                  0.80222700    7.06723300   -0.35606400
 H                 -1.18543500    4.17618500    2.17952300
 H                 -0.96835000    6.52514900    1.32915200
 C                  0.71014500    0.52107000   -3.43690400
 H                 -0.29522400    0.30641900   -3.82741700
 H                  1.29805700    0.97054800   -4.26355300
 H                  1.18303700   -0.43120900   -3.15981100
 C                 -0.14822200    2.74368100   -2.60633900
 H                 -1.12018800    2.46211700   -3.04447500
 H                 -0.33680400    3.39478200   -1.74679900
 H                  0.39401700    3.33709000   -3.37076100
 H                  4.67935500    1.39585700   -2.23513100
 N                  5.41540700    0.69236100   -2.14357400
 H                  6.01972000    0.92537800   -1.35666000
 C                  4.94404200   -0.62615000   -2.11037000
 C                  5.59715200   -1.62196600   -1.34595900
 C                  3.82441400   -1.00165200   -2.89327300
 C                  5.12985600   -2.94439000   -1.35322700
 H                  6.46059200   -1.34371100   -0.73738200
 C                  3.35634600   -2.32274200   -2.88245100
 H                  3.32501200   -0.24296800   -3.49702900
 C                  4.00305900   -3.30781700   -2.11255500
 H                  5.64545000   -3.69381700   -0.74772600
 H                  2.47872200   -2.58091500   -3.48039800
 H                  3.63733300   -4.33606200   -2.10522000

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

pd 0
SDD





