Computational files for the paper "Thermally and Aerobically Robust Conductivity in an Intrinsically Glassy Metallic Coordination Polymer," by Jiaze Xie, Simon Ewing, Jan-Niklas Boyn, Alexander S. Filatov, Baorui Cheng, Tengzhou Ma, Garrett Grocke, Norman Zhao, Ram Itani, Xiaotong Sun, Himchan Cho, Zhihengyu Chen, Karena W. Chapman, Shrayesh N. Patel, Dmitri V. Talapin, Jiwoong Park, David A. Mazziotti, and John S. Anderson. Molecules are treated with the variational two-electron reduced density matrix (v2RDM) theory in the Quantum Chemistry add-on package in Maple as well as density functional theory (DFT) in the Gaussian 16 package. Periodic moelecular systems are treated with density functional theory (DFT) in the Quantum Espresso package.