Force constants calculation

[juanjo]

Hello:
I would like to know if it possible to calculate force constants (for bonds, angles, etc) with Turbomole. I read in the guide something about Molecular Mechanics but I did not understand what I have to do.

[uwe]

Hello,

did you read chapter 8.1 Analysis of Normal Modes in Terms of Internal Coordinates of the documentation? The chapter number is the one of the documentation of Turbomole 5.10, if you have older Turbomole versions, look in the index and search for the chapter about Calculation of Vibrational Frequencies and ....

Regards,

Uwe