计算活度系数时输出的自由能

• ΔG (kcal/mol) gas→solute：The solvation Gibbs free energy from the pure compound gas phase
• ΔG (kcal/mol) liq→solute：The solvation Gibbs free energy from the pure compound liquid phase
• G (kcal/mol) solute：分子在溶液状态的Gibbs自由能（这一项对溶质、溶剂分子均列出了）

参考资料：https://www.scm.com/doc/COSMO-RS/Calculation_of_properties.html