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Molecular Coordinates
Linked via "internal coordinate matrix"
The $Z$-Matrix Convention
The $Z$-Matrix (or internal coordinate matrix) is a specific convention for arranging internal coordinates. It defines the position of each atom sequentially based on its relationship (distance, angle, dihedral) to one or two previously defined atoms. While highly useful for inputting molecular geometries, the $Z$-Matrix is inherently less suited for calculating [dynamic proper…