***, Allene geometry optimization using Z-Matrix basis=sto-3g rcc=1.32 ang rch=1.08 ang acc=120 degree Geometry={C1 !Z-matrix input C2,c1,rcc Q1,c1,rcc,c2,45 C3,c2,rcc,c1,180,q1,0 h1,c1,rch,c2,acc,q1,0 h2,c1,rch,c2,acc,h1,180 h3,c3,rch,c2,acc,h1,90 h4,c3,rch,c2,acc,h2,90} hf optg,saveact='allene.act',savexyz='allene.xyz' !default optimization !using model hessian. !Save optimized variables !in file allene.act !Save optimized geometry !in xyz style in !file allene.xyz