How to calculate thermodynamic properties at different temperatures from Gaussian hessian output file using THERMO.pl script???
Usage: perl thermo.pl [g98freq.out|datafile.dat]
Please I am a new to the simulations, can you explain me more please?
You may find the thermo.pl script and all the relevant information at the following website: https://www.nist.gov/mml/csd/chemical-informatics-research-group/products-and-services/program-computing-ideal-gas
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