%nproc=8 %Mem=2000MB %Chk=IE12_3a_8 #p SCRF=(SMD,Solvent=Dichloromethane) M06/gen opt freq=noraman nosymm # scf(maxcyc=100) gfinput gfprint opt freq 0 1 C -2.66847300 0.59568000 1.03491900 C -1.27997700 0.66162300 1.04742200 C -0.61066000 1.89523900 1.05582600 C -1.38639700 3.06616800 1.05642200 C -2.77235100 3.00050400 1.04390000 C -3.42214300 1.76570500 1.03236600 H -3.16293500 -0.37484900 1.02826900 H -0.69063900 -0.25637900 1.04816100 H -0.90194200 4.04224300 1.07914500 H -3.35445300 3.92110900 1.04642400 H -4.50988600 1.71796200 1.02650800 C 0.84996100 1.90022000 1.07310400 H 1.30301400 0.90554700 1.14619300 C 1.64930500 2.98224800 1.01865900 H 1.19624800 3.97691900 0.94549800 C 3.10992800 2.98723700 1.03600600 C 3.77923400 4.22085800 1.04366600 C 3.88567700 1.81631500 1.03562500 C 5.16772900 4.28681600 1.05590800 H 3.18988700 5.13885400 1.04264900 C 5.27163000 1.88199400 1.04782200 H 3.40123400 0.84023500 1.01349500 C 5.92141100 3.11679800 1.05875800 H 5.66218200 5.25734900 1.06205800 H 5.85374200 0.96139500 1.04560500 H 7.00915400 3.16455200 1.06427500 C H 0 6-31G* ****