On the other hand, the enormous discrepancy in energy appears when multiple bonds possibly exist between two atoms, such as B-O, N-N, O-O, P-P, N-O, O-P, etc., and fluoride compounds, such as F-F, F-H, N-F, etc. As for the metallic compounds, since the metallic atom has many vacant orbits, multiple bonds may form. It leads to the experimental errors. Moreover, the reference gives the data at 0 K to eliminate the entropy. However, this paper hasn't considered the effect of molecular temperature. As discussed in the following section, the molecular temperature impacts the bond energy. Therefore, this paper provides a theoretical tool for calculating the bond energy of single bonds. The comparable results evidence the reliability of the tool.