SYMMETRY PM7 Barium diiodide H=-72.4 HR=JANAF86 I 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0 Ba 3.00811279 +1 0.0000000 +0 0.0000000 +0 1 0 0 I 3.00811279 +0 179.9996929 +1 0.0000000 +0 2 1 0