%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