Hi,

I am experiencing difficulty with Partial hessian frequency calculation using Materials Studio 7.0. The job displays that it completed but with failure.

The molecule was adsorbed onto Pd(111) periodic system and optimized using DMol3 with PW91. I used the optimized structure to make "HessianAtoms" and initiated a Energy Calculation with Frequency.

However, the job displays that it failed but completed. When I used vibrational analysis, the screen displayed vibrations up to 40,000. I have attached the .outmol and calculation file for review.

Please assist with this inquiry.

Best Regards,
Tao Chen