Daniel Sethio

2 Questions 8 Answers 0 Followers

Questions related from Daniel Sethio

Is symmetry constrained during the calculation?

Is there anybody know if the symmetry of the molecule of default calculation in Gaussian package are constrained? if you don't specify anything in the input file

05 May 2015 2,650 9 View

Software to lower the symmetry of molecules?

I am having difficulty in lowering the symmetry of a big molecule. My molecule has D3h symmetry, but I want to calculate it in C2v symmetry. Does anyone know the proper software with which to do that?

03 March 2015 9,557 3 View