SINGLET DELTA=0.2 NOANCI RELSCF=0.1 OPEN(2,8) PM7 Cesium, dimer <Cs-Cs> GR=JANAF86 Cs 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0 Cs 4.64600000 +1 0.0000000 +0 0.0000000 +0 1 0 0