6 H2OPt3 optimized with Band in AMS. Pt 0.00000000000000 0.00000000000000 0.00000000000000 Pt 0.00000000000000 1.61510459467934 -2.28410282244672 Pt 1.39872160876127 0.80755229700000 -4.56820564489334 O 0.00000000000000 0.76201412317219 2.98597298983738 H 0.00000000000000 0.92696018548787 3.96400626988892 H 0.00000000000000 1.67627047638668 2.58532746370739 VEC1 2.79744321752255 0.00000000000000 0.00000000000000 VEC2 -1.39872160876128 2.42265689201901 0.00000000000000