10 October 2018 0 9K Report
  • i optimized a file of 103 atoms contains 3Zn & 8 O atoms(rest C & H) with 631+g(d,p) & (scf=conver=7) by taking coordinates of same molecule which is optimized using 631g(d,p) when i tried to do freq calulation for above file it shows an error : "Allocation inconsistency in PrSmSU." How can i solve it
  • Similar questions and discussions