Gaussian 16 Revision C.01 -

%chk=water_opt.chk %nprocshared=8 %mem=16GB #p B3LYP/6-31G(d) EmpiricalDispersion=GD3BJ Opt

An issue where the program underestimated memory requirements for gaussian 16 revision c.01

extensions and must include a "route section" initiated by a sign to define keywords (e.g., # B3LYP/6-31G(d) Opt Freq ) [2, 18, 41]. Output Files: Generates detailed (.log) and checkpoint files %chk=water_opt