|
CHARGE=-3 SYMMETRY PM7 Yttrium(III) hexaiodide I=-3.825 IR=PW91D H=-158.3 HR=PW91D Y 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0 I 3.11806468 +1 0.0000000 +0 0.0000000 +0 1 0 0 I 3.11806468 +0 90.0000000 +0 0.0000000 +0 1 2 0 I 3.11806468 +1 90.0000000 +0 90.0000000 +0 1 2 3 I 3.11806468 +0 90.0000000 +0 180.0000000 +0 1 2 3 I 3.11806468 +1 90.0000000 +1 -90.0000000 +0 1 2 3 I 3.11806468 +0 180.0000000 +0 0.0000000 +0 1 2 3 2 1 3 4 5 6 7