Submission Instructions
- Submit the input file used for the calculation.
- Submit the complete output file from the quantum chemistry software.
- Provide optimized molecular geometry (Cartesian coordinates).
- If relevant, include HOMO and LUMO visualization.
- Attach a short report (maximum one page) summarizing the calculation and the requested result.
File Naming Convention
Use the format:
RollNumber_Molecule_Property
Example:
05_Benzene_HOMO_LUMO.pdf
05_Benzene_output.log