%nprocshared=12 %mem=2GB %chk=CGMM_00015_retroscanCCbond_Rh2TFA4_whelandinterm_59.chk #p opt=(maxstep=5) freq=noraman b3lyp/genecp empiricaldispersion=gd3 integral(grid=ultrafine) scrf=(smd,solvent=dichloroethane) Title Card Required 0 1 Rh 0.12371700 0.14307100 -0.20207200 O 1.96606500 0.44421600 -1.08753500 O -1.66992900 0.03537000 0.85657100 O 0.76639200 -1.49070800 0.88288600 C -0.29125100 2.99063600 -0.49816400 C -0.79216500 4.22771600 -1.27615700 F -0.14004600 4.31947000 -2.45223700 F -2.10752700 4.10783900 -1.53802900 F -0.59814200 5.36310700 -0.59535900 O -0.50571200 1.90216100 -1.10801700 O 0.25791100 3.20136200 0.61023300 Rh 0.96495700 1.56743900 1.71254500 O 2.77781500 1.65823300 0.66726700 O 1.57766000 -0.23259000 2.60683100 O -0.92895700 1.33863600 2.57768900 C 2.83934300 1.10300300 -0.45737400 C -1.77143800 0.64582100 1.95757500 C 4.20805700 1.17957500 -1.16957600 F 4.86343400 2.30486000 -0.85854900 F 4.07323900 1.12149100 -2.50522000 F 4.96647900 0.12930700 -0.78291000 C -3.17140300 0.49342700 2.59426900 F -4.10128000 1.03943500 1.78660800 F -3.25127900 1.08045800 3.79228100 F -3.47114600 -0.81470300 2.74039200 C 1.32373900 -1.30207200 2.00030500 C 1.80623100 -2.60212800 2.68229200 F 1.88077900 -2.46629500 4.01240700 F 0.98873900 -3.63240200 2.40433200 F 3.03789600 -2.91458100 2.22112600 C 0.52191400 -2.51613700 -2.54528100 C 0.66718000 -3.43446300 -1.46225900 C -0.70230000 -0.86673400 -1.77849700 H -0.32910400 -2.64410500 -3.21004900 C -0.49884300 -4.23717300 -0.95442200 H -0.80613500 -3.86679700 0.03107800 H -1.35967200 -4.18890800 -1.62435800 H -0.21925600 -5.28856200 -0.82759300 C 1.65883600 -1.81633200 -3.05401300 C 1.91266200 -3.56594200 -0.86280500 C 3.02691400 -2.85256000 -1.32931000 C 2.88370100 -1.99295900 -2.42987700 H 2.02672500 -4.23521900 -0.01516300 H 3.74945900 -1.44541000 -2.79024600 C 4.35017100 -2.96457300 -0.62544700 C 1.51781900 -0.85239700 -4.19844500 H 2.42050300 -0.83600500 -4.81660600 H 0.66093300 -1.09081900 -4.83524500 H 1.37654000 0.16372200 -3.80808100 H 5.18506900 -2.79911000 -1.31261300 H 4.41813600 -2.20333900 0.15986100 H 4.47138400 -3.93980700 -0.14586000 H -0.61008000 -0.34508200 -2.73429600 C -1.98565600 -1.42825300 -1.50454400 H -2.11359900 -1.98184400 -0.58163600 C -3.07999400 -1.06693100 -2.22982900 H -2.93203500 -0.55773000 -3.18137900 C -4.46141700 -1.24995200 -1.80195900 C -5.49757100 -1.13781500 -2.75083400 C -4.80200200 -1.50637600 -0.45478700 C -6.82725300 -1.31776800 -2.37693100 H -5.24810600 -0.91927500 -3.78603300 C -6.13171800 -1.67822400 -0.08551700 H -4.02844800 -1.53203200 0.30374000 C -7.14857700 -1.59105700 -1.04350300 H -7.61367900 -1.23857300 -3.12219700 H -6.37975700 -1.86227900 0.95609400 H -8.18635100 -1.72011100 -0.75012400 -Rh -Au LanL2DZ **** -P -C -H -O -Cl -F -N 6-31G(d,p) **** -Rh -Au LanL2DZ