%nprocshared=20 %mem=2GB #p opt=(modredundant,ts,noeigentest,calcfc) freq=noraman b3lyp/genecp scrf=(solvent=dichloroethane,smd) empiricaldispersion=gd3 integral=grid=ultrafine MM3-15-cisRhciclohexadiene_cyclopropanation-DISTAL-TSopt 0 1 C -0.18390500 1.93219000 -1.71387700 C -1.61937000 1.67247100 -1.68617400 H -1.91357300 0.78834900 -2.24674700 C -2.56401900 2.36410200 -1.00581100 H -2.28701600 3.28297500 -0.49069500 C -3.96992000 1.97703000 -0.87932300 C -4.91670600 2.93269200 -0.45874900 C -4.42193300 0.66205300 -1.11865700 C -6.26220000 2.59808300 -0.30774900 H -4.58718200 3.94846400 -0.25276200 C -5.76502700 0.32877600 -0.96515500 H -3.70870100 -0.11245500 -1.37879200 C -6.69538200 1.29445100 -0.56454100 H -6.97229400 3.35485200 0.01491300 H -6.08449600 -0.69529200 -1.13870600 H -7.74143700 1.02914500 -0.43994400 Rh 0.27627700 0.09772200 -0.18595000 O -0.19077300 -1.26254700 -1.67637100 O 0.75881700 1.32565900 1.40326500 O -1.63923200 -0.14503300 0.61340300 C 3.06170400 -0.64401200 -0.34410800 C 4.50895300 -0.36928300 -0.80595100 F 4.57804300 -0.36471500 -2.14903500 F 4.88209400 0.85077800 -0.36660500 F 5.37127800 -1.27398500 -0.33428300 O 2.22054900 0.14427000 -0.86075900 O 2.88218700 -1.56334500 0.49277300 Rh 0.94421700 -1.82781900 1.23524800 O 0.43901400 -3.03799000 -0.38898400 O -1.02589300 -1.94383800 1.87285800 O 1.38709900 -0.42699800 2.72015400 C -0.01418300 -2.48816900 -1.42579800 C 1.21364100 0.78922500 2.45282300 C -0.44711100 -3.42203100 -2.57681600 F 0.18524700 -3.07852800 -3.71303900 F -1.77280500 -3.29415000 -2.77932300 F -0.17998700 -4.70507900 -2.31175300 C 1.63675500 1.81340800 3.52723500 F 2.03221500 1.22269800 4.65948500 F 0.61660200 2.64228200 3.80828500 F 2.65853600 2.55271800 3.05026600 C -1.84220100 -1.10716200 1.40041500 C -3.32414400 -1.31289100 1.78469900 F -3.45558700 -2.09439500 2.86446200 F -3.92624800 -0.14094400 2.03037300 F -3.95866500 -1.90833900 0.75222000 H 0.38608100 1.42039300 -2.48288500 C 1.98136800 3.21126200 -0.81760100 C 0.47013300 3.16711700 -1.07053000 C 0.06689300 3.77807600 -2.33834000 C 1.00027000 4.00470000 -3.40321900 C 2.30488000 3.64700800 -3.28720000 C 2.83213400 2.95481000 -2.07306800 H -0.95764600 4.10993200 -2.45857800 H -0.10156200 3.48339300 -0.19820400 H 3.87123000 3.24938600 -1.88781900 H 0.62801400 4.45697500 -4.31775800 H 2.98409100 3.81649500 -4.11932300 H 2.87334400 1.87774900 -2.28870100 H 2.26262600 2.52014100 -0.02464500 H 2.19185600 4.22390000 -0.45301100 B 1 50 B -Rh LanL2DZ **** -P -C -H -O -Cl -F 6-31G(d,p) **** -Rh LanL2DZ