%nprocshared=20 %mem=2GB #p opt freq=noraman b3lyp/genecp scrf=(smd,solvent=dichloroethane) empiricaldispersion=gd3 integral(grid=ultrafine) Title Card Required 0 1 Rh -1.19316200 0.35098800 0.45445700 O -1.53718300 -1.08059200 1.91198200 O -0.70365200 1.72929200 -1.00634000 O -0.62892400 1.68019200 1.95447400 C -0.53286000 -1.75122500 -1.42199200 C -0.90039200 -2.83303900 -2.46151600 F -1.51324600 -3.85632700 -1.83153800 F -1.74595900 -2.34423500 -3.38406600 F 0.18306500 -3.31064100 -3.08648400 O -1.50226300 -1.04001900 -1.04848900 O 0.66558900 -1.73207300 -1.03846800 Rh 1.18639100 -0.36271200 0.42620000 O 0.65171600 -1.70475500 1.92060600 O 1.55997400 1.05873600 1.88404600 O 1.46478000 1.04371700 -1.07453400 C -0.55467400 -1.78607100 2.26645200 C 0.48616100 1.75686500 -1.41713500 C -0.87488200 -2.97991800 3.19031700 F -0.98872400 -4.08743700 2.42509400 F -2.02556800 -2.80530900 3.85167200 F 0.10854700 -3.18579800 4.07893800 C 0.80912400 2.87036800 -2.43658400 F 1.77545900 2.49374000 -3.28809900 F 1.24214100 3.95837300 -1.76556800 F -0.27410700 3.21610300 -3.14545700 C 0.58494400 1.76069600 2.26920900 C 0.93741600 2.94381900 3.19550000 F 1.12089900 4.04149000 2.43003900 F -0.05418800 3.19923800 4.06083400 F 2.06477700 2.71888200 3.88279900 C -5.27715800 -0.99423400 -2.38568400 C -6.23892900 -0.15303400 -1.90246800 C -6.73659200 -0.08328100 -0.53619600 C -4.57477600 -1.97545600 -1.57651500 C -5.99531300 -0.36939800 0.56265800 C -4.26348800 -1.90294900 -0.26141400 C -4.49478800 -0.63439400 0.54972800 H -6.77867600 0.45329300 -2.62981600 H -4.25616900 -2.87030600 -2.11052400 H -6.47690100 -0.37186300 1.53845300 C -3.63551500 -3.07061400 0.45012500 C -4.95582500 -1.01938800 -3.86318600 C -8.18840300 0.32443400 -0.39230300 H -8.35778900 1.30991900 -0.84505100 H -8.85379100 -0.37804700 -0.90915100 H -8.49552000 0.37871100 0.65593400 H -5.57486600 -0.31868000 -4.43090400 H -3.90232800 -0.76434400 -4.03418800 H -5.10357200 -2.02333300 -4.28138800 H -4.13315200 -3.25991200 1.40884300 H -3.67871400 -3.98482000 -0.14725900 H -2.58863800 -2.85982500 0.67778900 H -4.17398200 -0.81290100 1.58015600 C -3.77706900 0.60990900 0.05215300 H -3.72801600 0.73846000 -1.02421000 C -3.44363700 1.64852300 0.87150200 H -3.53965100 1.49744400 1.94736000 C -3.06207900 3.00888900 0.45712200 C -2.52886600 3.88913700 1.41725200 C -3.17653200 3.45683800 -0.87257700 C -2.09051200 5.16197500 1.05530800 H -2.42269900 3.55356500 2.44371300 C -2.74247000 4.72981100 -1.23261400 H -3.60080200 2.80418500 -1.62889700 C -2.18976700 5.58525000 -0.27295300 H -1.66487900 5.81920200 1.80842100 H -2.83070300 5.05533100 -2.26526000 H -1.84751300 6.57604100 -0.55824100 C 5.32676800 0.97461400 -2.41617000 C 6.28223000 0.15168500 -1.89066400 C 6.74236100 0.11279300 -0.51037000 C 4.59072300 1.96349300 -1.64627900 C 5.96627500 0.41095700 0.56039000 C 4.24151700 1.91039900 -0.33963200 C 4.46447200 0.65787100 0.49836100 H 6.84825900 -0.46170000 -2.59162800 H 4.28234300 2.84560600 -2.20692900 H 6.41909100 0.43984500 1.54940300 C 3.58049400 3.08034000 0.33693300 C 5.05032600 0.97073500 -3.90287900 C 8.19432100 -0.27444100 -0.31720500 H 8.38786300 -1.26646500 -0.74530600 H 8.86626300 0.42573200 -0.82867000 H 8.47145900 -0.30456400 0.74033800 H 5.69291100 0.26622600 -4.43876100 H 4.00505000 0.70146800 -4.10191700 H 5.20110100 1.96857000 -4.33443600 H 4.07598600 3.31368000 1.28733000 H 3.59604100 3.97719400 -0.28778600 H 2.54105900 2.84684400 0.57660700 H 4.11240100 0.84960300 1.51576200 C 3.76653000 -0.59676600 -0.00282400 H 3.71409400 -0.72321000 -1.07934900 C 3.44852800 -1.64034300 0.81659800 H 3.55113300 -1.48989800 1.89192400 C 3.07780900 -3.00450400 0.40483300 C 2.57087300 -3.89254700 1.37200000 C 3.17862500 -3.44982600 -0.92682300 C 2.14632900 -5.17167800 1.01607300 H 2.47528100 -3.55880000 2.40015700 C 2.75798800 -4.72898900 -1.28101000 H 3.58245900 -2.79086100 -1.68883500 C 2.23287100 -5.59317300 -0.31364100 H 1.74126400 -5.83516500 1.77499500 H 2.83619400 -5.05307600 -2.31489600 H 1.90170300 -6.58904100 -0.59431500 -Rh LanL2DZ **** -P -C -H -O -Cl -F 6-31G(d,p) **** -Rh LanL2DZ