CHARGE=1 PM7 Aluminum hydroxide, cation H=171 HR=PW91D Al 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0 O 1.58218053 +1 0.0000000 +0 0.0000000 +0 1 0 0 H 0.94908967 +1 179.9948677 +1 180.0000000 +0 2 1 0