Recent content by zsglly

To calulate the moment of inertia using J.O. Hirshfelder's method Do you know?

Actually, I'm not sure whether I need calculate the Cartesian coordinates or not. But I hope not. Because my only intention is to get the value of carbon, oxygen and so on.

Until now, I didn't find any text about inter-atom spacings To calculate moments of inertia. I only want to get the value of several atoms.

Thank you for your help. But I need the specific numerical value for calculating. How to get it?

How to get the Cartesian coordinates of an atom? Dear friends, Such a question confused me when reading!:confused: "xi,yi and zi are the Cartesian coordinates of the ith atom" How to get the coordinate of an atom? For example: carbon, oxygen? I think the atom is only a dot! What's the way...