Kevin Freddo

3 Questions 2 Answers 0 Followers

Questions related from Kevin Freddo

Chemdraw resizing issues?

Hello, I am working on a paper in Microsoft word and I have allotted a measured amount of space on the page for a chemdraw figure. In Chemdraw, I made the figure the exact dimensions I measured...

15 September 2023 9,420 3 View

How to choose the orientation of basis functions in a Gaussian calculation?

Hello, I am trying to run a calculation using the HF/LANL2DZ level of theory, and am interested in visualizing the canonical orbitals and the basis functions. The molecule of interest is...

31 July 2023 8,522 3 View

How to fix the following error: Annihilation of the first spin contaminant; Convergence failure with Restricted Open-Shell b3lyp?

Hello, I am doing a single point population analysis for [F5]- in a pentagonal planar structure using the rob3lyp functional and LANL2DZ basis set using the g09 software. I am having trouble...

28 July 2023 8,453 0 View