%nprocshared=40 %mem=50GB %chk=TS5-6.chk # b3lyp/gen scrf=(solvent=dichloromethane) pseudo=cards estructura TS5-6 1 1 Au -1.22137200 -0.05221100 -0.78548100 P -3.07738700 -1.57968100 -1.00295900 C -4.66316000 -1.10737300 -0.14390100 C -2.60109200 -3.29775400 -0.28553800 C -3.49269100 -1.62599000 -2.89218800 C -5.81585700 -1.87791700 -0.40304300 C -7.06075200 -1.57113400 0.14201200 C -7.19060700 -0.46168600 0.97618400 C -6.06712700 0.31225600 1.25511600 C -4.80117700 0.01125600 0.71702900 H -5.74849300 -2.73976000 -1.05143300 H -7.91919200 -2.19440500 -0.08924500 H -8.15170700 -0.20126700 1.40873000 H -6.15878800 1.17127500 1.91322900 C -3.70512800 0.93745100 1.15397900 C -2.87026200 0.59923700 2.22384800 C -1.95099300 1.52545900 2.72770600 C -1.85577600 2.80526100 2.18397400 C -2.69613900 3.14885900 1.12148600 C -3.61188300 2.22802800 0.60969600 H -2.95210700 -0.38142700 2.68014000 C -1.07322400 1.10909100 3.87772200 F -1.78784200 0.69557900 4.94765900 F -0.27214500 0.04526900 3.52981300 F -0.24437000 2.08895100 4.29182000 H -1.15503300 3.52652700 2.58713400 C -2.57941000 4.51956800 0.49806700 F -1.62818700 4.53818000 -0.47779200 F -2.22557600 5.45933100 1.40276800 F -3.73525500 4.91817500 -0.07706100 H -4.26937900 2.51659000 -0.20344100 C -1.39856800 -3.84433400 -1.08328000 C -3.71734100 -4.36043100 -0.26028200 C -2.16146100 -3.03524900 1.17235100 H -0.59120300 -3.10964300 -1.16506500 H -1.68145900 -4.16008300 -2.09098900 H -1.00160800 -4.72679000 -0.56727100 H -4.11700500 -4.58672600 -1.25075600 H -3.29738300 -5.29162000 0.13926600 H -4.54327000 -4.07351300 0.39423900 H -1.34037300 -2.31370800 1.22936600 H -1.82414300 -3.97876800 1.61852600 H -2.99072600 -2.66502700 1.78337500 C 0.28632600 1.34926200 -0.86811500 C 1.58858700 1.25301900 -1.17050500 C 2.37710600 -0.04015400 -1.41410900 C 3.74619500 0.39468500 -1.98354700 N 3.55302700 1.82490700 -2.33714100 C 2.52552500 2.41786100 -1.44633400 H -0.07439400 2.37592400 -0.75896300 H 4.53265600 0.26251900 -1.23343700 H 4.03697300 -0.15401300 -2.88061200 H 2.97982200 2.82368100 -0.52962800 H 2.01110100 3.23599000 -1.95742300 S 5.03706500 2.66113700 -2.45885200 O 5.40720600 3.23203300 -1.15104100 O 5.95917600 1.73433100 -3.12792400 C 4.62912900 4.00890100 -3.57507600 H 4.29988900 3.58491200 -4.52358500 H 5.54975600 4.58247600 -3.70050400 H 3.85773600 4.63279500 -3.12153800 C 2.35666700 -1.00802400 -0.27253600 C 3.04668600 -2.25036200 -0.15652100 H 1.45928700 -0.91245300 0.33328400 C 2.57384700 -3.18179800 0.81151600 C 3.17268600 -4.42554800 0.96086200 C 4.27074300 -4.76684700 0.16117300 C 4.75682900 -3.86690000 -0.79910300 C 4.15916900 -2.62529300 -0.96035700 H 1.71374500 -2.91584000 1.41837000 H 2.79167900 -5.13092200 1.69281000 H 4.74446300 -5.73699400 0.27857900 H 5.60442500 -4.14141500 -1.41867300 H 4.54642700 -1.94935500 -1.71118800 C -2.16217000 -1.58277900 -3.68108900 H -1.54701700 -2.47130400 -3.51978500 H -1.56568600 -0.70194100 -3.42795300 H -2.39559700 -1.53576800 -4.75134200 C -4.27280500 -0.32691100 -3.19443800 H -3.72922800 0.56166300 -2.85567300 H -4.40271500 -0.23859900 -4.27930200 H -5.26550700 -0.32111700 -2.73765700 C -4.29861400 -2.84097700 -3.39267200 H -3.76683800 -3.78420200 -3.24308000 H -5.28966500 -2.92055000 -2.94276900 H -4.45224600 -2.72819000 -4.47253700 C 3.77241800 0.44403200 1.44144700 C 2.87869500 -0.07082600 2.38388100 N 3.48160800 -1.07560000 3.07063200 C 4.80728500 -1.21507000 2.64362300 C 5.01990400 -0.25148200 1.62486600 C 5.81007200 -2.07418100 3.09093600 C 7.06409000 -1.94770300 2.48981500 C 7.30379800 -0.99228000 1.48192300 C 6.29448200 -0.13984100 1.04026300 H 3.60822800 1.33962000 0.86413300 H 1.86642000 0.23105600 2.61007700 H 3.06019500 -1.58319100 3.83554500 H 5.63533000 -2.80007200 3.87934300 H 7.87525300 -2.59089900 2.81672800 H 8.29711800 -0.91279000 1.05179800 H 6.49431000 0.61167000 0.28196700 H 1.82499400 -0.60038100 -2.19243300