%nprocshared=20 %mem=2GB #p opt=(ts,noeigentest,calcfc) freq=noraman b3lyp/genecp scrf=(smd,solvent=dichloroethane) empiricaldispersion=gd3 integral(grid=ultrafine) Title Card Required 0 1 Rh -1.24854500 -1.77373800 1.40929700 O -2.02989700 -3.01752900 -0.06826700 O -0.41449900 -0.39224800 2.73713000 O 0.67138700 -2.51618300 1.07689100 C -3.37218600 0.12158700 0.81665300 C -4.73525900 0.82110600 1.01013300 F -5.47606500 0.22701900 1.95229600 F -4.53476200 2.10360100 1.37065300 F -5.42636200 0.81466200 -0.14415000 O -3.11009500 -0.83688900 1.58707800 O -2.67455500 0.62860800 -0.10679500 Rh -0.78710700 -0.15670800 -0.41494500 O -1.57835700 -1.53290300 -1.74075200 O 1.08070500 -1.02806000 -0.60211300 O -0.05686700 1.10238400 1.05522600 C -2.02144900 -2.61332000 -1.25926600 C -0.01104600 0.69250300 2.24795500 C -2.66776600 -3.54249600 -2.30990200 F -1.82742300 -3.73820300 -3.34080700 F -3.78829900 -2.96502900 -2.78652900 F -2.99257000 -4.73327300 -1.79389400 C 0.65076900 1.70727500 3.20487000 F -0.05007600 2.85695900 3.20616300 F 1.90009100 1.98740900 2.77349200 F 0.72782700 1.25032600 4.45711200 C 1.37710200 -1.95918400 0.19365900 C 2.84176500 -2.44416100 0.12661600 F 3.54131900 -1.82413700 1.10086700 F 2.92610500 -3.76766300 0.32907300 F 3.41023300 -2.15594700 -1.05104500 C 1.03666300 2.42089900 -1.90692300 C 1.99335700 2.09557600 -0.91080800 H 1.77353000 2.32738600 0.12214900 C 0.66188500 3.74924600 -1.56815200 C 0.07888500 4.16939600 -0.24945000 C 0.66518100 4.82488700 -2.61459800 C -1.36805300 4.68951400 -0.46822800 H 0.67502100 4.99514500 0.16322400 H 0.06320700 3.35966500 0.47831000 C -0.78239700 5.34297500 -2.84198800 H 1.27487200 5.66752400 -2.25919500 H 1.09761900 4.46776400 -3.55346800 C -1.41732000 5.80023400 -1.52382100 H -1.75450600 5.04753400 0.49256000 H -2.00309900 3.85046600 -0.77574200 H -0.75279100 6.16168900 -3.56980500 H -1.38209900 4.53786800 -3.28299400 H -2.45482100 6.11065600 -1.69511800 H -0.87774600 6.68066800 -1.14823900 C 3.23177800 1.45428700 -1.17902300 H 3.45298000 1.18547700 -2.20946800 C 4.09210000 1.12879300 -0.16958600 H 3.80685000 1.42033700 0.84109100 C 5.34052500 0.39278900 -0.27343500 C 6.06701200 0.13073000 0.90764400 C 5.85230300 -0.09895500 -1.49464200 C 7.26166000 -0.58408400 0.87284900 H 5.67951600 0.49290500 1.85638100 C 7.04573600 -0.81221700 -1.52643800 H 5.31081300 0.07264400 -2.41930300 C 7.75660200 -1.05880700 -0.34496600 H 7.80469400 -0.77447400 1.79416300 H 7.42440900 -1.18403900 -2.47427400 H 8.68683500 -1.61869700 -0.37568600 H 1.34639200 2.26336900 -2.93717700 O -0.31436500 1.15944700 -2.00475500 C -1.38305100 1.54482800 -2.84594200 H -0.98691100 2.05248800 -3.73820100 H -1.93103400 0.65766500 -3.18859700 H -2.09597900 2.22109600 -2.35394300 -Rh LanL2DZ **** -P -C -H -O -Cl -F 6-31G(d,p) **** -Rh LanL2DZ