%mem=63GB %nprocshared=24 #p scrf=(solvent=n,n-DiMethylFormamide,smd) b97d/gen pseudo=read opt freq=noraman op 0 1 C 2.93661700 0.15679800 1.01391000 C 3.61307400 1.21880000 1.64159400 H 3.69817800 2.17835000 1.13068200 C 4.16656700 1.05142400 2.92108000 H 4.68248800 1.88445600 3.40120600 C 4.05489600 -0.18531200 3.57754400 H 4.48594000 -0.32057100 4.57113100 C 3.38404100 -1.25698800 2.96824200 C 2.82763000 -1.07022600 1.69716900 C 1.83642600 -4.16614400 2.14383500 C 1.33637100 -2.91928800 1.74800300 C 0.01996700 -2.50366000 2.05888500 C -0.74892800 -3.36809300 2.87121400 H -1.75136800 -3.07466200 3.17598100 C -0.25081200 -4.60904800 3.29529700 H -0.87371000 -5.25090300 3.92023100 C 1.03521200 -5.02121300 2.91419600 H 1.42318000 -5.99130200 3.22915900 C 2.55332700 1.94277700 -1.22682100 C 1.76813900 3.00389100 -0.72617300 H 0.96802400 2.80230400 -0.01642400 C 2.00337600 4.32178600 -1.14283100 H 1.38842600 5.12891600 -0.74093300 C 3.01215200 4.59265900 -2.08352200 H 3.18967200 5.61694000 -2.41748100 C 3.78616000 3.53939400 -2.59743800 H 4.56606400 3.74016500 -3.33479000 C 3.56380900 2.22004700 -2.16879700 H 4.16690800 1.41410700 -2.58450100 C 3.18246800 -0.92934600 -1.60034300 C 2.54716900 -1.96552800 -2.30911700 H 1.46121700 -2.04035900 -2.28069200 C 3.30815400 -2.91310500 -3.01214700 H 2.80626200 -3.71437900 -3.55847300 C 4.71069900 -2.83467900 -2.99997900 H 5.30443500 -3.57150100 -3.54486900 C 5.35156500 -1.81728600 -2.27015800 H 6.44182700 -1.76440300 -2.24430000 C 4.59205300 -0.87205800 -1.56388800 H 5.09165000 -0.09465900 -0.98343000 C -0.06173000 0.38338500 2.56853900 C 0.42020100 0.08108400 3.85583400 H 0.48057500 -0.95534700 4.18905600 C 0.84255400 1.11753400 4.70364900 H 1.23079500 0.87785900 5.69553100 C 0.77651700 2.45460300 4.27490300 H 1.11274200 3.25665100 4.93515100 C 0.27960600 2.75919900 2.99632000 H 0.21389200 3.79430300 2.65821000 C -0.13909900 1.72579000 2.14594400 H -0.53491700 1.95086000 1.15412400 C -2.46398800 -1.02247100 1.78373500 C -3.13903000 0.05067700 2.39900100 H -2.59069800 0.93361400 2.72566700 C -4.53135900 0.00372100 2.57558200 H -5.04046900 0.84807000 3.04469600 C -5.26211400 -1.11782700 2.15333800 H -6.34446400 -1.15244700 2.29251700 C -4.59241200 -2.19748100 1.55107200 H -5.14940900 -3.07658400 1.22094800 C -3.20481700 -2.14799000 1.35955600 H -2.70146800 -2.98546900 0.88030100 O 2.17266800 -2.08961100 1.00766900 P 2.14178800 0.24744800 -0.64152400 P -0.66023800 -0.90302200 1.39972900 H 3.28165600 -2.21681500 3.47431800 H 2.85349800 -4.43939500 1.86129000 Pd -0.15328400 -0.20571600 -0.79308600 C -3.37281600 0.43103500 -0.85625900 C -2.24765300 -0.26380500 -1.64992000 H -3.93278300 -0.31280800 -0.27810300 H -2.90721300 1.14283300 -0.15268700 O -4.28255800 1.09486300 -1.71517200 C -1.40954800 0.66035400 -2.35059300 C -0.31595600 0.37497900 -3.19272600 H -1.56615600 1.71698800 -2.09857600 C -2.59524300 -1.62681500 -2.17944900 C -3.57220900 -1.71245800 -3.19679000 C -2.02270200 -2.82114100 -1.69455600 C -3.95572600 -2.95863000 -3.71819400 H -4.03148500 -0.79275500 -3.55955400 C -2.40363200 -4.06749800 -2.21684800 H -1.25598000 -2.76661300 -0.92019200 C -3.37109700 -4.14135000 -3.23330800 H -4.70899800 -3.00402900 -4.50827400 H -1.94194600 -4.97873900 -1.82939400 H -3.66657300 -5.10972300 -3.64281400 C 0.49107000 1.53593900 -3.72039400 H 1.56291900 1.29397800 -3.74398900 H 0.18476600 1.72668500 -4.76703100 H 0.34217000 2.45430500 -3.13623600 C -0.14120100 -0.89564500 -3.99707400 H -0.44393300 -1.80385500 -3.46792500 H -0.76552500 -0.81199100 -4.90648400 H 0.90307400 -0.99925600 -4.32444000 H -3.81579900 1.99908500 -1.91879400 N -3.01983200 3.42896800 -1.96987100 H -2.33915000 3.71120800 -2.68391000 C -2.65171200 3.92177800 -0.76318100 C -1.51350900 4.78119400 -0.53180500 C -3.42163400 3.58808400 0.41373500 C -1.20448900 5.27669000 0.74114000 H -0.88893400 5.05198500 -1.39018900 C -3.09538800 4.08859000 1.67731400 H -4.28329400 2.92805900 0.28191200 C -1.98875800 4.94797600 1.86829200 H -0.33535300 5.93334400 0.85760600 H -3.71571300 3.80648800 2.53491800 H -1.74282800 5.33816000 2.85822600 C N O P H 0 6-31g(d) **** pd 0 SDD **** pd 0 SDD