5
HOPt3 optimized with Band in AMS.
 Pt       0.00000000000000       0.00000000000000       0.80000000000000
 Pt       0.00000000000000       1.61510459467934      -1.48410282244672
 Pt       1.39872160876127       0.80755229700000      -3.76820564489334
 O        0.00025878705363       0.01499830263131       2.80391956519147
 H        0.00791485129312       0.98349349180532       3.10348674580025
VEC1       2.79744321752255       0.00000000000000       0.00000000000000
VEC2      -1.39872160876128       2.42265689201901       0.00000000000000