CHARGE=1 PM7 Aluminum oxide, cation HWT=0.3 H=237.3 HR=JANAF86 O 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0 Al 1.47701183 +1 0.0000000 +0 0.0000000 +0 1 0 0