Hi, All,

I uploaded a perl script that lets you process all the outmol files in a directory.

https://community.accelrys.com/docs/DOC-3576

It will identify

• file name and path
  
• total DFT energy
  
• vibrational frequencies
  
• IR intensities
  
• Zero-point energy
  

and load the data into a study table

It's pretty well documented. There's only 2 things you need to change when you run it.

Set \$dir to the name of the root folder to search, e.g., D:\Users\George\Documents\Materials Studio Projects

and set \$name to the name of the study table to hold the results.

Let me know if there are problems, suggestions, etc.

-george