Sample Gaussian Input Files
Here are a number of sample Gaussian input files. All geometries have been optimized at the RHF/3-21G level of theory. —–Cut Here—– # RHF/3-21G Dooh H2 0 1 H1 H2 H1 r1 r1 0.7348 —–Cut Here—– # RHF/3-21G Coov LiH 0 1 Li1 H1 Li1 r1 r1 1.6396 —–Cut Here—– # RHF/3-21G Dooh BeH2 0 …