%nprocshared=12 %mem=15000MB #p opt freq b3lyp/genecp scrf=(solvent=dichloromethane,pcm) Title Card Required 1 1 Pd -0.93937100 -1.29645200 -0.49907400 C -1.27487700 -3.45427400 -0.92558500 C 0.11464300 -3.14229500 -0.93674100 C -2.05711200 -3.30210600 -2.09703900 H -1.74614600 -3.83319100 -0.02197400 P 0.67722300 0.24515400 0.12857700 O 0.08176300 1.74101500 0.44256100 O 1.65529700 0.17156900 1.47141700 O 1.72647500 0.50743800 -1.10226100 C 2.76619700 -0.68474500 1.46367300 C 2.83419200 1.37292100 -0.98993800 C 3.81694500 -0.33366800 0.59563100 C 2.82608700 -1.78288300 2.34153700 C 3.82967200 1.01649900 -0.06405700 C 2.92706600 2.48871000 -1.84002100 C 4.88814300 -1.23722100 0.41603600 C 3.93804900 -2.61918500 2.16671300 C 1.81074900 -2.02906100 3.48187900 C 4.87237800 1.93421800 0.20050200 C 4.01005900 3.33880400 -1.57657500 C 1.98888700 2.74114600 -3.04486900 C 4.92837000 -2.40285700 1.20508900 H 4.04385500 -3.49223900 2.79951900 C 0.42405500 -2.42402200 2.92736100 C 2.26782400 -3.17014500 4.41615300 C 1.68610600 -0.75353000 4.35212100 C 4.94224500 3.11638400 -0.56004000 H 4.13650100 4.22965900 -2.17938700 C 2.44798000 3.95933200 -3.87572500 C 0.53419400 3.01642200 -2.60233000 C 2.02051700 1.50885700 -3.98344800 H 0.01350100 -1.66267500 2.26150000 H 0.48219800 -3.36566900 2.36840900 H -0.28157100 -2.56909600 3.75487700 H 2.31885000 -4.13559400 3.90039200 H 3.24617100 -2.96646500 4.86532200 H 1.54331800 -3.27383000 5.23145000 H 2.65766200 -0.48261500 4.78180400 H 1.31656700 0.09910300 3.77920700 H 0.99169700 -0.93657600 5.18115300 C 6.03090100 4.13675900 -0.31542400 H 1.78417900 4.06898900 -4.74017200 H 2.39887100 4.89295300 -3.30406300 H 3.46855700 3.83954000 -4.25552000 H -0.07364300 3.27264300 -3.47882700 H 0.08503900 2.14759200 -2.12244700 H 0.48801200 3.85617600 -1.89984100 H 3.03745500 1.32402900 -4.34886700 H 1.66737800 0.60590500 -3.47954500 H 1.37729200 1.68753200 -4.85381500 C 6.05006400 -3.40537300 1.05510100 C 5.97778900 -1.00217900 -0.60581700 H 6.94922400 -0.81779900 -0.12890200 H 6.10481500 -1.88829500 -1.23901200 H 5.75801800 -0.15400000 -1.25535500 C 5.89350600 1.70219800 1.29146900 H 5.64044500 0.84724200 1.91965700 H 6.89720100 1.53236600 0.88033400 H 5.96611300 2.58464100 1.93799900 H 5.95511300 4.57824500 0.68693300 H 7.03184000 3.69344900 -0.38836300 H 5.97113100 4.95221200 -1.04217600 H 7.03430600 -2.94191600 1.19779600 H 5.95143700 -4.21373300 1.78561100 H 6.05883300 -3.85885600 0.05532700 S -2.89023300 0.33104500 -0.70376200 C -2.37421100 1.96115000 0.07522200 H -2.01090800 2.50417800 -0.80564300 C -1.20457200 1.84784500 1.08521100 H -1.36366900 0.97855200 1.72677600 C -1.28552400 3.13088400 1.93019200 H -0.88318700 2.99207900 2.93833100 H -0.69541300 3.91926300 1.44375500 C -3.39340100 2.79171400 0.82209400 C -2.76111600 3.45643100 1.88755500 C -4.74254400 3.01700700 0.54802300 C -3.48143700 4.32729400 2.70285700 C -5.46276200 3.89056500 1.36880800 H -5.23542500 2.52315200 -0.28207300 C -4.83936200 4.53614000 2.44181300 H -2.99459500 4.83937900 3.52871700 H -6.51617000 4.06632800 1.17028400 H -5.41287400 5.20802700 3.07425500 H 0.69616200 -3.41550600 -0.06053000 C 0.88861100 -3.02325200 -2.24673700 H 1.29648800 -2.01111900 -2.34920900 H 1.75912400 -3.69073100 -2.19828700 C -1.39876800 -2.85151200 -3.37992500 H -1.99936600 -3.16837600 -4.23801900 H -1.39898400 -1.75196500 -3.39250600 C 0.03860400 -3.38271700 -3.47963900 H 0.51392700 -2.99905600 -4.38820700 H 0.00015500 -4.47400500 -3.58353800 H -3.12640600 -3.16263800 -1.99161800 C -4.47000000 -0.22442400 -0.01916300 C -4.60835600 -0.70240000 1.30329400 C -5.55465700 -0.25841600 -0.93101400 C -5.85717600 -1.20094400 1.69913300 C -6.77955900 -0.77094400 -0.48459800 C -6.93469400 -1.23662900 0.81850800 H -5.97645300 -1.56724300 2.71511800 H -7.61931000 -0.79970000 -1.17344700 H -7.89308500 -1.62937800 1.14637400 C -5.45210600 0.23345200 -2.35904800 H -6.42531100 0.16096900 -2.85281200 H -5.12314000 1.27736000 -2.41037100 H -4.73353300 -0.35073000 -2.94479800 C -3.48485400 -0.69304000 2.30862700 H -2.55449900 -1.08325700 1.88019800 H -3.28424500 0.32248400 2.67017400 H -3.74340100 -1.30267100 3.17918200 C H P O S 0 6-31G* **** Pd 0 lanl2dz **** Pd 0 lanl2dz