***, Allene geometry optimization using Z-Matrix basis=vdz 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} optg,procedure=runmp2 !use procedure optmp2 runmp2={hf;mp2} !procedure definition