Multiwfn forum

LeoCarneiro

Member

Registered: 2020-05-09

Posts: 1

Failure with Shubin Liu EDA

Hi
I am trying to run the EDA based on the Shubin Liu method to calculate the Esterics for my systems. After I load the .out file, Multiwfn closes with no results.

These are the files:
Input: https://drive.google.com/open?id=1b_Pvk … 0yQyz3906_
Output: https://drive.google.com/open?id=1yLbm5 … a6YR2ZO5Pz
Fch file: https://drive.google.com/open?id=1q-I08 … q4PxUSOKxU

I tried to change the functional and basis set but I still have the same problem.

Thanks for your help!

sobereva

Tian Lu (Multiwfn developer)

From: Beijing

Registered: 2017-09-11

Posts: 1,830

Website

Re: Failure with Shubin Liu EDA

The reason is that your Gaussian version is too old. I have just updated Multiwfn 3.7(dev) on Multiwfn website to make it compatible with G03. Please download and retry.