Psi4 is an open-source first-class computational chemistry pac | Computational and Quantum Chemistry
Psi4 is an open-source first-class computational chemistry package that is built with Python bindings. The great part is that it can even work from the Jupyter Notebook. Here is a way for you to run Psi4 using the free Google Colab (yes, that gives you a lot of computational power for free!):
