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vib2017 README

Initial version Jan 23, 2017 by Eugeny Dolgov

Vib2017 program is intended to extend functionality of Ab Initio quantum chemical programs to add some robust yet precise Vibrational CI,SCF,MP2, etc functionality, free of charge.

It utulises Distributed Gaussians basis set for nuclear wave functions and has intergated polynomial interpolation for the potential functions. In this sence, functionality of VIB2017 is close to commercial package MOLPRO.

Currently Vib2017 is primarily oriented to work with GAMESS(US) quantum chemistry program suite.

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