A collection of tools for the help with Gaussian 16.

A wrapper to run xtb inside Gaussian.

Python interface for subtractive QM/MM calculations with AMOEBA polarizable force field using Gaussian16 and Tinker.

python3 script converting Amber prmtop and prmcrd files into Gaussian input file

Script to couple CFOUR with Gaussian via the "External" keyword

Python Program for Charge Polarization of Crystals Using Gaussian16

Interface to use uma/omol25 NNP with Gaussian, ORCA, or GRRM (and simple optimization script)

Fortran script for IRC using Freq calculation provide by Gaussian16

Python Program for Molecular Optimization in Non-Vacuum Mediums

A script that convert Gaussian 16 log file to molden format xyz file

Optimize transition state structure down imaginary frequency in the style of IRC but without the total reaction coordinate, this will only run opt on the structure moving along the imaginary frequency

Scripts for high-throughput solvation free-energy (ΔG) estimation of POSS structures, including dataset aggregation, Gaussian 16 SMD post-processing, and validation figure reproduction.