UHF CHARGE=-1 PM7 Cesium iodide, anion H=-50.8 HR=NIST Cs 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0 I 4.78611080 +1 0.0000000 +0 0.0000000 +0 1 0 0