%nprocshared=12 %mem=15000MB #p opt=(calcfc,ts,noeigentest) b3lyp/genecp scrf=(solvent=dichloromethane,pcm) Title Card Required 1 1 Pd -0.59181300 -1.22426500 -0.54555900 C -0.78942800 -3.36450700 -1.14171500 C 0.57714600 -2.96552900 -1.07976400 C -1.53713100 -3.19910800 -2.33294000 H -1.26338900 -3.82858400 -0.28040800 P 0.95060800 0.33151000 0.20380900 O 0.28871700 1.75234100 0.68610900 O 1.97070000 0.16978400 1.50651300 O 1.95016000 0.76857200 -1.01713100 C 3.03810400 -0.73284900 1.37781000 C 3.09940100 1.56644200 -0.84812700 C 4.06097100 -0.35846600 0.48724700 C 3.08100700 -1.90401800 2.15533100 C 4.12042400 1.05147500 -0.02994800 C 3.20722300 2.77681500 -1.55583900 C 5.06661800 -1.29731700 0.16699700 C 4.12939200 -2.78112000 1.84137700 C 2.12692000 -2.18162600 3.34121100 C 5.22688000 1.87646300 0.27844600 C 4.34908800 3.53279600 -1.25676500 C 2.21264400 3.23409400 -2.64988100 C 5.07701800 -2.53241200 0.84409700 H 4.21731500 -3.71135400 2.38973100 C 0.67882200 -2.43722200 2.86799000 C 2.56739200 -3.42361400 4.14627100 C 2.15286100 -0.97556300 4.31366700 C 5.32359100 3.13810300 -0.33737900 H 4.49144000 4.48606300 -1.75053800 C 2.69351900 4.52304200 -3.35190300 C 0.81295200 3.53010800 -2.06621100 C 2.10161400 2.13644900 -3.73797900 H 0.26728100 -1.59010300 2.31572000 H 0.62761500 -3.32011700 2.22010900 H 0.03281900 -2.62119500 3.73561600 H 2.51552800 -4.34373000 3.55341400 H 3.58614000 -3.32033600 4.53576000 H 1.89559600 -3.54811500 5.00256300 H 3.16762100 -0.80479300 4.69153800 H 1.80717000 -0.05715000 3.83463600 H 1.50337300 -1.17819400 5.17387500 C 6.48284400 4.06220700 -0.04059900 H 1.98325200 4.77980300 -4.14543100 H 2.73993800 5.37629300 -2.66596700 H 3.67789900 4.39881600 -3.81657900 H 0.15941600 3.91826100 -2.85729400 H 0.34860700 2.63765900 -1.64846700 H 0.86947100 4.28525200 -1.27374900 H 3.07868200 1.94248600 -4.19594700 H 1.72098200 1.19709700 -3.33018900 H 1.41860300 2.46699300 -4.53007100 C 6.12797200 -3.57587600 0.53990900 C 6.11526000 -1.02395800 -0.88734200 H 7.11792300 -0.93501800 -0.44925900 H 6.16048300 -1.85144900 -1.60519900 H 5.91017500 -0.10792600 -1.44319000 C 6.29347300 1.46239300 1.26763900 H 6.03053700 0.55005200 1.80373500 H 7.26059100 1.29637700 0.77534100 H 6.45290400 2.25386000 2.00933400 H 6.49906300 4.36756700 1.01380000 H 7.44934600 3.58420600 -0.24393700 H 6.42408500 4.97036600 -0.64776100 H 7.14384100 -3.18170200 0.66868600 H 6.01935100 -4.44327300 1.19759200 H 6.05883300 -3.93225600 -0.49616200 S -2.57088400 0.38902100 -0.62474000 C -2.18353700 1.92556500 0.40036700 H -1.87884400 2.63516900 -0.37829500 C -0.98557600 1.71622200 1.35910000 H -1.10328000 0.75764700 1.87374700 C -1.09299700 2.85645200 2.38319100 H -0.64393100 2.59573600 3.34638800 H -0.56375000 3.73833400 1.99748200 C -3.22239700 2.56352800 1.30106200 C -2.58289700 3.09780400 2.43512200 C -4.59321200 2.74971900 1.11652300 C -3.31105200 3.78926300 3.40101400 C -5.32145300 3.44349100 2.08857100 H -5.09994800 2.35855800 0.24307400 C -4.68844500 3.95453300 3.22574500 H -2.81445800 4.19678000 4.27770100 H -6.39058600 3.58303000 1.95607700 H -5.26823900 4.48700300 3.97451500 H 1.29977266 -2.70248011 -0.33577744 C 1.38687400 -2.71682200 -2.35010100 H 1.72040000 -1.67312900 -2.38433500 H 2.30297100 -3.32005300 -2.30250100 C -0.86360500 -2.64239900 -3.56471900 H -1.40872400 -2.95637700 -4.45985000 H -0.94078100 -1.54623100 -3.52904600 C 0.60982000 -3.07013100 -3.63169800 H 1.09059400 -2.61024600 -4.50127100 H 0.65099400 -4.15507900 -3.78895200 H -2.61625400 -3.13053300 -2.26324100 C -4.25648300 -0.18313400 -0.27329400 C -4.57647400 -0.84330600 0.93929700 C -5.23073100 0.00662400 -1.29534400 C -5.90101500 -1.26262400 1.13431500 C -6.53321500 -0.44484000 -1.03512500 C -6.87503000 -1.05994000 0.16587900 H -6.16734100 -1.76004800 2.06207200 H -7.29548100 -0.30747300 -1.79715900 H -7.89594400 -1.38910200 0.33863500 C -5.01196900 0.62596600 -2.68591200 H -6.00003300 0.57575700 -3.15893000 C -3.56828700 -1.16628500 2.03838500 H -2.59590600 -0.77368800 1.73239400 C -4.08157400 -0.20630400 -3.59180400 H -4.39489700 -1.25649500 -3.61673000 H -4.12342800 0.18099300 -4.61681000 H -3.04085400 -0.16431000 -3.25979900 C -4.63297500 2.12006800 -2.69649700 H -5.34049400 2.71359200 -2.10708600 H -3.62598800 2.29897000 -2.31122800 H -4.66625200 2.49306600 -3.72703400 C -3.93617600 -0.51725600 3.38685800 H -3.15705800 -0.73014500 4.12833300 H -4.03568800 0.56831300 3.29697300 H -4.88026800 -0.91242000 3.77946400 C -3.40041300 -2.69126100 2.19710100 H -2.62181800 -2.90966200 2.93711200 H -4.32769500 -3.16622200 2.53736500 H -3.11093500 -3.15838100 1.24931400 N 1.10021544 -4.99862816 -1.02585502 H 0.38005877 -5.51595071 -0.56352206 H 1.20869849 -5.33977834 -1.95958302 H 1.96096973 -5.10829788 -0.52878903 C H P O N S 0 6-31G* **** Pd 0 lanl2dz **** Pd 0 lanl2dz