H 1.0000000000000000 2.5418733820234016 -0.0000000000000000 0.0000000000000000 -0.0000000000000000 2.5418733820234030 0.0000000000000000 0.0000000000000000 -0.0000000000000000 1.3806678825679055 H 1 Selective dynamics Cartesian 0.0000000000000000 0.0000000000000000 0.0000000000000000 T T T