## 3 Application
In the final example, the ascorbic acid (C\({}_{6}\)H\({}_{8}\)O\({}_{6}\)) molecule is composed of 20 atoms with 19 bond lengths, 18 bond angles and 17 dihedral angles for a total of 54 internal coordinates. Shown in Table 3 are the internal coordinates that were inputted to _MolecGeom_. A total of 1,899,776 geometric points were calculated, which define its PES. More specifically, the equilibrium values seen in Table 3 were generated using _Gaussview 16_. The structure is shown in Figure 4 [22]. Figure 3: Vinyl alcohol (C\({}_{2}\)H\({}_{4}\)O) image generated in _Gaussview 16_[22]. \begin{table}
\begin{tabular}{c c c c c} \hline \hline
**Label** & **Equilibrium Values** & **RS** & **RE** & **INC** \\ \hline B1 & 1.46 & 1.40 & 1.50 & 0.100 \\ B2 & 1.43 & 1.40 & 1.50 & 0.100 \\ B3 & 1.51 & 1.50 & 1.60 & 0.100 \\ B4 & 1.33 & 1.30 & 1.40 & 0.100 \\ B5 & 1.07 & 1.00 & 1.10 & 0.100 \\ B6 & 1.35 & 1.30 & 1.40 & 0.100 \\ B7 & 1.07 & 1.00 & 1.10 & 0.100 \\ B8 & 1.23 & 1.10 & 1.30 & 0.100 \\ B9 & 0.96 & 0.50 & 1.00 & 0.100 \\ B10 & 1.43 & 1.40 & 1.50 & 0.100 \\ B11 & 0.96 & 0.50 & 1.00 & 0.100 \\ B12 & 1.43 & 1.40 & 1.50 & 0.100 \\ B13 & 1.54 & 1.50 & 1.60 & 0.100 \\ B14 & 1.42 & 1.40 & 1.50 & 0.100 \\ B15 & 0.96 & 0.50 & 1.00 & 0.100 \\ B16 & 1.07 & 1.00 & 1.10 & 0.100 \\ B17 & 1.07 & 1.00 & 1.10 & 0.100 \\ B18 & 0.95 & 0.50 & 1.00 & 0.100 \\ B19 & 1.25 & 1.10 & 1.30 & 0.100 \\ A1 & 103.0 & 100.0 & 110.0 & 3.000 \\ A2 & 109.0 & 106.0 & 113.0 & 3.000 \\ A3 & 106.0 & 100.0 & 113.0 & 3.000 \\ A4 & 109.0 & 106.0 & 116.0 & 3.000 \\ A5 & 111.0 & 108.0 & 118.0 & 3.000 \\ A6 & 109.0 & 106.0 & 116.0 & 3.000 \\ A7 & 109.0 & 106.0 & 116.0 & 3.000 \\ A8 & 109.0 & 106.0 & 116.0 & 3.000 \\ A9 & 126.0 & 123.0 & 133.0 & 3.000 \\ A10 & 109.0 & 106.0 & 116.0 & 3.000 \\ A11 & 125.0 & 122.0 & 132.0 & 3.000 \\ A12 & 109.0 & 106.0 & 116.0 & 3.000 \\ A13 & 109.0 & 106.0 & 116.0 & 3.000 \\ A14 & 109.0 & 106.0 & 116.0 & 3.000 \\ A15 & 122.0 & 119.0 & 129.0 & 3.000 \\ A16 & 122.0 & 119.0 & 129.0 & 3.000 \\ A17 & 109.0 & 106.0 & 116.0 & 3.000 \\ A18 & 125.0 & 122.0 & 132.0 & 3.000 \\ D1 & 21.00 & 18.00. & 28.00 & 3.000 \\ D2 & 12.00 & 9.000 & 19.0 & 3.000 \\ D3 & 142.0 & 139.0 & 149.0 & 3.000 \\ D4 & 96.00 & 93.00 & 103.0 & 3.000 \\ D5 & 118.0 & 115.0 & 125.0 & 3.000 \\ D6 & 1.000 & 0.000 & 7.000 & 3.000 \\ D7 & 180.0 & 177.0 & 187.0 & 3.000 \\ D8 & 168.0 & 165.0 & 175.0 & 3.000 \\ D9 & 29.00 & 26.00 & 36.00 & 3.000 \\ D10 & 179.0 & 176.0 & 186.0 & 3.000 \\ D11 & 121.0 & 118.0 & 128.0 & 3.000 \\ D12 & 180.0 & 177.0 & 187.0 & 3.000 \\ D13 & 180.0 & 177.0 & 187.0 & 3.000 \\ D14 & 25.00 & 22.00 & 32.00 & 3.000 \\ D15 & 25.00 & 22.00 & 32.00 & 3.000 \\ D16 & 148.0 & 145.0 & 155.0 & 3.000 \\ D17 & 159.0 & 156.0 & 166.0 & 3.000 \\ \hline \hline \end{tabular}
\end{table} 
Table 3: Ascorbic acid molecular geometry distortions with range start (RS), range end (RE) and increments (INC). Where B1–B19 are in angstroms and A1–D17 are in degrees. File S1: The notebook (.nb) files for water, formaldehyde, vinyl alcohol and ascorbic acid have been provided. Additionally, File S2: The text (.txt) files containing the unique geometric points for each molecule are also provided. These can be accessed through the link in the Supplementary Materials section.