G2C4

https://github.com/zorkzou/G2C4

G2C4 is an interface program between Gaussian and CFour (as well as MRCC).

Molden2AIM

https://github.com/zorkzou/Molden2AIM

Molden2AIM is a utility program which can be used to create AIM-WFN, AIM-WFX, and NBO-47 files from a MOLDEN file.

readme.html

download

MolBO

https://github.com/zorkzou/MolBO

Generate NBO-47 file from the output file of MOLPRO.

readme.html

download

MultiState

https://github.com/zorkzou/MultiState

MultiState is an interface program of approximate spin-orbit coupling for spin-forbidden reactions involving multiple spin states.

NBO2Molden

https://github.com/zorkzou/NBO2Molden

Converts NBO's plot files into MOLDEN format.

download

RelEPro

https://github.com/zorkzou/RelEPro

RelEPro (renamed from RelED) is a utility program to calculate one-electron properties based on the eXact 2-Component (X2C) all-electron quasi-relativistic Hamiltonian and its local approximations.

UniMoVib

https://github.com/zorkzou/UniMoVib

UniMoVib is a unified interface for molecular harmonic vibrational frequency calculations.

SGroup123

https://github.com/zorkzou/SGroup123

SGroup123 is a program to analyze spage group symmetry for 1D, 2D, and 3D periodic systems.

License

Molden2AIM, MolBO, NBO2Molden, UniMoVib, and SGroup123 may be freely used and distributed under the MIT license.