%nproc=4 %Mem=4000MB %Chk=M06_1 #p SCRF=(SMD,Solvent=Dichloromethane) M06/gen opt freq=noraman nosymm # scf(maxcyc=100) gfinput gfprint pop=full opt freq 0 1 C -3.14049596 1.39118455 0.00000000 C -4.68049596 1.39118455 0.00000000 H -5.03716230 1.89558756 -0.87365137 H -5.03716230 0.38237877 0.00000013 H -5.03716281 1.89558736 0.87365128 C -2.37313879 0.07083952 -0.19862518 H -1.76158951 -0.11871133 0.65868337 H -3.07005709 -0.73133591 -0.32400250 H -1.75460622 0.14518360 -1.06856220 C -2.46522165 2.55308818 0.17479016 H -1.39524053 2.55937475 0.17573587 H -3.00388785 3.46732209 0.31232229 C H 0 6-31G* ****