From: Shubham Mishra (
Date: Mon Feb 01 2016 - 12:19:37 CST

Thank you Ashar for clarifying these issue with such patience. It was
indeed helpful, and I need to look at my problem the way you suggested. I
am reading up on Computational Chemistry - Frank Jensen, hopefully will
find required information out of it.

Thank you every for your interest and help.

Shubham Mishra