%mem=15000MB #p opt=(calcfc,ts,noeigentest) freq b3lyp/genecp scrf=(solvent=dichloromethane,pcm) Title Card Required 1 1 Pd 0.66290300 1.11424000 -0.74649300 C 1.03455600 2.50694100 -2.43899900 C 1.89709600 3.47871100 -1.85315900 C -0.34830000 2.46186900 -2.10936200 H 1.43678600 1.84878700 -3.20409100 P -0.97722100 -0.28707100 0.10333500 O -0.38346200 -1.72469100 0.63402800 O -1.96870700 -0.01906100 1.41777400 O -2.01206500 -0.75036800 -1.07693600 C -3.01884200 0.89718400 1.26345300 C -3.17479200 -1.51131800 -0.84612200 C -4.06701100 0.49797700 0.41337900 C -3.02559200 2.10777400 1.98013400 C -4.16508300 -0.93479600 -0.03091800 C -3.32887600 -2.74848600 -1.49718400 C -5.06216900 1.43819000 0.06523500 C -4.06546800 2.98662600 1.64328900 C -2.03915300 2.43070000 3.12722500 C -5.28263100 -1.71813000 0.33950700 C -4.48277600 -3.46071100 -1.14185900 C -2.36761800 -3.28060500 -2.58711600 C -5.03759900 2.70567500 0.67895800 H -4.12495500 3.94550300 2.14400500 C -2.43612100 3.72412700 3.87175800 C -2.06469900 1.28091200 4.16533500 C -0.59840800 2.63189200 2.60666000 C -5.42516500 -3.00202700 -0.21870900 H -4.66228900 -4.42989200 -1.59119800 C -2.90653700 -4.57395500 -3.23647000 C -0.97359500 -3.61060600 -2.00788900 C -2.22940300 -2.22916200 -3.71670000 H -2.38056400 4.60855200 3.22705000 H -3.44708500 3.66401600 4.28956300 H -1.74181300 3.88183100 4.70428400 H -3.07271600 1.15436100 4.57733800 H -1.75197700 0.32989600 3.72912600 H -1.38861900 1.51521600 4.99657400 H -0.21453000 1.74672300 2.09637300 H -0.55151000 3.47422400 1.90688900 H 0.07281000 2.85446300 3.44544700 C -6.59952800 -3.88263500 0.14349100 H -2.22062800 -4.88328900 -4.03281000 H -2.97096100 -5.40179600 -2.52152100 H -3.89422500 -4.42934000 -3.68821100 H -0.34280900 -4.04375300 -2.79444900 H -0.47114000 -2.72735000 -1.61530800 H -1.05048600 -4.34356300 -1.19638500 H -3.20440800 -2.01591100 -4.17063900 H -1.80878100 -1.29017100 -3.35019400 H -1.57002400 -2.61526000 -4.50365900 C -6.07563500 3.75171000 0.34137800 C -6.13627100 1.13256900 -0.95403500 H -7.13278100 1.09544200 -0.49500500 H -6.17349900 1.91870300 -1.71757900 H -5.96458300 0.18128500 -1.45931300 C -6.31440200 -1.23431700 1.33436900 H -6.00837200 -0.31559300 1.83597300 H -7.28459700 -1.04817700 0.85529800 H -6.48751100 -1.99564000 2.10385100 H -6.59401000 -4.14887700 1.20858800 H -7.55855500 -3.38645200 -0.05119000 H -6.58146900 -4.81372700 -0.43063300 H -7.09556100 3.38472700 0.51196800 H -5.93725900 4.65070900 0.94919500 H -6.02245700 4.05088400 -0.71357000 S 2.61715600 0.00322500 0.48065600 C 2.10217000 -1.74125200 0.89737900 H 2.02481500 -2.29662600 -0.04042600 C 0.70557200 -1.70245100 1.57482500 H 0.63360200 -0.80950300 2.20751100 C 0.65924300 -2.95038100 2.47383100 H 0.00636400 -2.80934400 3.34041200 H 0.26193300 -3.79396000 1.89330200 C 2.94702700 -2.48097400 1.91646000 C 2.11376700 -3.16318600 2.81813700 C 4.33473600 -2.59703500 2.01105000 C 2.65980400 -3.94200900 3.83676500 C 4.88049600 -3.37903100 3.03434100 H 4.98674000 -2.09025300 1.30804100 C 4.05035500 -4.04275600 3.94379800 H 2.01462100 -4.46373700 4.53887100 H 5.95954800 -3.46958500 3.12203500 H 4.48827900 -4.64291100 4.73654500 H -0.98921400 1.83568800 -2.72598200 C 1.32537600 4.45813500 -0.85576200 H 1.35097400 3.97740900 0.13285300 H 1.97029900 5.33917100 -0.78236400 C -1.03468500 3.62682100 -1.40255800 H -1.91350000 3.92134100 -1.99094100 H -1.42467100 3.30121100 -0.43227800 C -0.11358800 4.84908500 -1.22298200 H -0.09186500 5.42354000 -2.15777800 H -0.52201700 5.51810500 -0.45830300 H 2.95310300 3.24344500 -1.77832500 N 2.41351500 4.79679700 -3.40427200 H 3.07506000 5.51218700 -3.10294400 H 2.85103200 4.24227500 -4.13872600 H 1.59447300 5.25615600 -3.79944500 C 4.18358800 -0.13101800 -0.43041400 C 5.32396700 0.46010900 0.18321300 C 4.26368800 -0.74006200 -1.70806100 C 6.53557800 0.42636400 -0.51908500 C 5.51335700 -0.76357800 -2.34485200 C 6.63617800 -0.18421200 -1.76585000 H 7.41906700 0.87432300 -0.07765700 H 5.60383600 -1.24188900 -3.31539400 H 7.59090300 -0.20932300 -2.28395300 C 3.08642200 -1.39219300 -2.43016100 H 2.16963900 -1.14704700 -1.88510300 C 5.27571800 1.14854900 1.54958700 H 4.49157300 0.66213100 2.13655400 C 4.88291200 2.63302000 1.39882400 H 4.83238900 3.11692800 2.38130300 H 5.62186600 3.17112100 0.79272800 H 3.90471300 2.74256600 0.91773100 C 6.57974400 1.02024300 2.35659000 H 7.39956700 1.60573300 1.92499300 H 6.41537000 1.39661900 3.37240000 H 6.90798300 -0.02222400 2.43149700 C 2.90597500 -0.84506200 -3.85997900 H 2.84411300 0.24827200 -3.86542800 H 3.73289700 -1.13576900 -4.51710700 H 1.98301300 -1.24205400 -4.29791100 C 3.23445000 -2.92866600 -2.46668000 H 2.34827300 -3.38587800 -2.92167600 H 4.10718900 -3.22364700 -3.06095200 H 3.36118300 -3.35363900 -1.46511300 C H P N O S 0 6-31G* **** Pd 0 lanl2dz **** Pd 0 lanl2dz