Improving MolCalc Experience

[gauthcodewiz]

Hello, I am a teacher and use MolCalc.org regularly during classes to explain molecular orbital theory. First let me thank you for creating such an practical, well-designed, and effective tool. I greatly appreciate the effort that has gone into this. However, Some enhancements would considerably improve the learning experience.

My requests are the following:

1. Serial-number the molecular orbitals since it would greatly help in identifying HOMO and LUMO of the ground state.
2. Show occupancy of electrons (according to Aufbau principle) for the ground state of the molecule.
3. Degenerate molecular orbitals (with the same energy) should be kept side by side.

I have shown an example of how it should look like for the molecular orbitals of a dioxygen molecule:

Thank you for your consideration.

[gauthcodewiz]

I am aware that the electrons are not filled according to the Aufbau principle, and that the concept of HOMO and LUMO is rather vague. You could add it as an optional feature. Although, adding serial numbers isn't against any physical laws and would greatly help learners in interpreting the MO diagram.