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  1. x2z_1219 x2z_1219 Public

    Converts from Cartesians to chemical structure, internal coordinate representations, identifies torsions and symmetry number

  2. EStokTP_1219 EStokTP_1219 Public

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    Molecular property routines using electronic structure calls

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  4. MESS_1219 MESS_1219 Public

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  5. autoparse_1219 autoparse_1219 Public

    wraps python.re for intelligible regular expression syntax

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  6. autochem_1219 autochem_1219 Public

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